data_2jyl_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 2jyl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 5.5 t -101.63 169.72 8.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.475 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.6 mm -67.53 -24.42 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.41 ' HG ' ' N ' ' A' ' 152' ' ' ASP . 1.1 pp -61.17 -39.87 91.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.41 ' N ' ' HG ' ' A' ' 151' ' ' LEU . 44.4 t0 -57.95 -25.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.592 ' CD1' ' N ' ' A' ' 153' ' ' ILE . 1.2 mp -78.67 94.21 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -124.86 163.23 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.441 ' NE2' ' SG ' ' A' ' 218' ' ' CYS . 42.7 tt0 -83.63 95.25 8.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.66 161.79 26.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -86.78 -14.78 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -79.79 133.11 59.21 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.41 42.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.577 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.1 t80 -61.54 -32.99 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -59.7 -45.94 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.25 -36.4 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -65.97 -41.0 91.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.557 1.16 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' VAL . . . . . 0.445 HG13 ' CD1' ' A' ' 169' ' ' TYR . 19.5 t -68.71 -41.39 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -58.05 -43.75 87.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.442 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -66.76 -44.52 81.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' PHE . . . . . 0.506 ' CG ' HD13 ' A' ' 190' ' ' LEU . 60.3 t80 -58.59 -47.39 84.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . 0.445 ' CD1' HG13 ' A' ' 165' ' ' VAL . 5.3 m-85 -75.31 -21.74 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -72.8 -44.29 61.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' THR . . . . . 0.475 ' CG2' HD13 ' A' ' 150' ' ' ILE . 90.9 m -74.42 -38.7 62.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.528 ' CD1' ' C ' ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.32 -48.65 78.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -76.06 -8.81 57.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.22 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -73.49 -25.46 60.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -172.76 46.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 172' ' ' LEU . 56.8 tt0 -40.56 99.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 179.55 159.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.7 t -172.99 166.36 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.066 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -68.5 -13.58 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 6.0 mt-10 -161.76 65.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 184' ' ' ALA . 64.8 t -62.69 -38.92 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.12 -56.99 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.02 -32.14 73.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -77.59 111.1 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 188' ' ' THR . . . -86.09 99.23 11.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 185' ' ' ALA . 18.4 m -37.41 -56.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -51.73 -43.53 62.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -63.84 -27.28 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LEU . . . . . . . . . . . . . 6.1 mt -72.3 -47.16 52.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.506 HD13 ' CG ' ' A' ' 168' ' ' PHE . 0.5 OUTLIER -58.96 -44.71 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.21 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.441 ' CG2' HD11 ' A' ' 202' ' ' LEU . 79.7 t -68.36 -46.51 80.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 26.5 t-20 -83.45 5.8 22.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -94.35 168.13 11.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ASN . . . . . 0.465 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -52.13 175.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -74.99 -55.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.49 -48.45 71.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' CYS . . . . . . . . . . . . . 17.8 t -56.61 -36.44 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -62.27 -43.93 97.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 43.0 m -65.58 -45.22 84.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.44 ' CG2' ' CB ' ' A' ' 217' ' ' ALA . 14.8 mt -64.33 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.441 HD11 ' CG2' ' A' ' 191' ' ' VAL . 12.5 mt -70.92 -33.29 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.03 -39.46 93.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.65 -34.1 64.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' LEU . . . . . 0.469 HD23 ' CG ' ' A' ' 213' ' ' GLU . 0.7 OUTLIER -44.85 -84.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 171.01 157.82 13.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 56.51 4.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 147.41 50.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ALA . . . . . . . . . . . . . . . -80.19 159.5 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.343 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 11.6 t -91.47 155.89 18.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.12 -40.57 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.06 -41.97 93.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.469 ' CG ' HD23 ' A' ' 205' ' ' LEU . 5.1 tp10 -70.38 -38.23 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.4 mtt -65.39 -43.38 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' MET . . . . . 0.577 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.5 ttt -71.58 -33.41 69.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.01 -39.36 87.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.458 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.466 ' CB ' HD13 ' A' ' 205' ' ' LEU . . . -72.3 -41.82 66.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' CYS . . . . . 0.441 ' SG ' ' NE2' ' A' ' 155' ' ' GLN . 6.0 t -61.15 -44.01 97.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.22 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -25.03 67.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 221' ' ' VAL . . . -77.4 -36.61 33.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 220' ' ' GLY . 1.4 p -39.31 142.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -63.37 -166.08 0.75 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 158.01 -146.48 13.44 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -153.24 72.0 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -175.37 174.26 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.607 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -84.49 -63.82 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -39.91 108.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.96 120.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 231' ' ' LEU . 72.4 t -57.35 144.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' LEU . . . . . 0.416 ' N ' HG12 ' A' ' 230' ' ' VAL . 19.1 tp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . 0.496 ' HB3' HD23 ' A' ' 151' ' ' LEU . 5.5 t -101.63 169.72 8.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.71 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.6 mm -67.53 -24.42 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 149' ' ' SER . 1.1 pp -61.17 -39.87 91.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.409 ' N ' ' HG ' ' A' ' 151' ' ' LEU . 44.4 t0 -57.95 -25.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.815 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -78.67 94.21 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -124.86 163.23 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.441 ' NE2' ' SG ' ' A' ' 218' ' ' CYS . 42.7 tt0 -83.63 95.25 8.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.66 161.79 26.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -86.78 -14.78 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 27.3 tt0 -79.79 133.11 59.21 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.4 Cg_endo -74.98 158.41 42.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.1 t80 -61.54 -32.99 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -59.7 -45.94 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.25 -36.4 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -65.97 -41.0 91.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.557 1.16 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 169' ' ' TYR . 19.5 t -68.71 -41.39 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -58.05 -43.75 87.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.442 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -66.76 -44.52 81.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' PHE . . . . . 0.815 ' CA ' HG21 ' A' ' 153' ' ' ILE . 60.3 t80 -58.59 -47.39 84.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TYR . . . . . 0.671 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.3 m-85 -75.31 -21.74 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -72.8 -44.29 61.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' THR . . . . . 0.71 ' CG2' HD13 ' A' ' 150' ' ' ILE . 90.9 m -74.42 -38.7 62.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.32 -48.65 78.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 172' ' ' LEU . 10.9 mtt180 -76.06 -8.81 57.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.22 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -73.49 -25.46 60.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -172.76 46.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 172' ' ' LEU . 56.8 tt0 -40.56 99.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . 179.55 159.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.7 t -172.99 166.36 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.066 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -68.5 -13.58 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 6.0 mt-10 -161.76 65.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 184' ' ' ALA . 64.8 t -62.69 -38.92 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.12 -56.99 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.02 -32.14 73.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -77.59 111.1 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.755 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -86.09 99.23 11.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 185' ' ' ALA . 18.4 m -37.41 -56.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -51.73 -43.53 62.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.755 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -63.84 -27.28 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 189' ' ' LEU . 6.1 mt -72.3 -47.16 52.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.5 OUTLIER -58.96 -44.71 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.21 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.829 HG22 HD13 ' A' ' 202' ' ' LEU . 79.7 t -68.36 -46.51 80.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 26.5 t-20 -83.45 5.8 22.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -94.35 168.13 11.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ASN . . . . . 0.465 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -52.13 175.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -74.99 -55.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 221' ' ' VAL . 0.7 OUTLIER -54.49 -48.45 71.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 198' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 202' ' ' LEU . 17.8 t -56.61 -36.44 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -62.27 -43.93 97.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 43.0 m -65.58 -45.22 84.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.972 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 14.8 mt -64.33 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.829 HD13 HG22 ' A' ' 191' ' ' VAL . 12.5 mt -70.92 -33.29 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.03 -39.46 93.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.65 -34.1 64.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 205' ' ' LEU . . . . . 0.895 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.7 OUTLIER -44.85 -84.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 171.01 157.82 13.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 56.51 4.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 147.41 50.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ALA . . . . . 0.895 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.19 159.5 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 11.6 t -91.47 155.89 18.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -48.12 -40.57 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.06 -41.97 93.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.406 ' HG3' HD21 ' A' ' 205' ' ' LEU . 5.1 tp10 -70.38 -38.23 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.4 mtt -65.39 -43.38 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' MET . . . . . 0.562 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.5 ttt -71.58 -33.41 69.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.01 -39.36 87.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.458 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.972 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.3 -41.82 66.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 218' ' ' CYS . . . . . 0.695 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.0 t -61.15 -44.01 97.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.22 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -25.03 67.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 221' ' ' VAL . . . -77.4 -36.61 33.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.4 p -39.31 142.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -63.37 -166.08 0.75 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 158.01 -146.48 13.44 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -153.24 72.0 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -175.37 174.26 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.607 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -84.49 -63.82 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -39.91 108.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.96 120.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.35 144.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 19.1 tp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . 0.496 ' HB3' HD23 ' A' ' 151' ' ' LEU . 5.5 t -101.63 169.72 8.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.994 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.71 HD13 ' CG2' ' A' ' 171' ' ' THR . 7.6 mm -67.53 -24.42 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 149' ' ' SER . 1.1 pp -61.17 -39.87 91.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.409 ' N ' ' HG ' ' A' ' 151' ' ' LEU . 44.4 t0 -57.95 -25.97 61.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.815 HG21 ' CA ' ' A' ' 168' ' ' PHE . 1.2 mp -78.67 94.21 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -124.86 163.23 22.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.441 ' NE2' ' SG ' ' A' ' 218' ' ' CYS . 42.7 tt0 -83.63 95.25 8.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 110.263 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.66 161.79 26.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.424 1.077 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.28 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.529 1.805 . . . . 0.0 111.038 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 38.4 tttt -86.78 -14.78 41.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.242 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 27.3 tt0 -79.79 133.11 59.21 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.569 1.168 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' GLU . 18.4 Cg_endo -74.98 158.41 42.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 215' ' ' MET . 31.1 t80 -61.54 -32.99 73.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.128 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -59.7 -45.94 90.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.341 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.25 -36.4 82.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -65.97 -41.0 91.73 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.557 1.16 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' VAL . . . . . 0.547 HG13 ' CE1' ' A' ' 169' ' ' TYR . 19.5 t -68.71 -41.39 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -58.05 -43.75 87.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.442 ' CG ' HG13 ' A' ' 153' ' ' ILE . 0.6 OUTLIER -66.76 -44.52 81.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' PHE . . . . . 0.815 ' CA ' HG21 ' A' ' 153' ' ' ILE . 60.3 t80 -58.59 -47.39 84.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . 0.671 ' HA ' HD23 ' A' ' 172' ' ' LEU . 5.3 m-85 -75.31 -21.74 58.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.418 1.074 . . . . 0.0 110.993 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -72.8 -44.29 61.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' THR . . . . . 0.71 ' CG2' HD13 ' A' ' 150' ' ' ILE . 90.9 m -74.42 -38.7 62.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.376 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.814 ' C ' HD12 ' A' ' 172' ' ' LEU . 0.2 OUTLIER -57.32 -48.65 78.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . 0.402 ' N ' HD12 ' A' ' 172' ' ' LEU . 10.9 mtt180 -76.06 -8.81 57.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.22 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 171' ' ' THR . . . -73.49 -25.46 60.46 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -172.76 46.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 172' ' ' LEU . 56.8 tt0 -40.56 99.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 176' ' ' GLN . . . 179.55 159.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 1.7 t -172.99 166.36 5.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.066 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -68.5 -13.58 62.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.418 1.074 . . . . 0.0 110.326 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 184' ' ' ALA . 6.0 mt-10 -161.76 65.07 0.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 184' ' ' ALA . 64.8 t -62.69 -38.92 82.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -60.12 -56.99 14.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -67.02 -32.14 73.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 180' ' ' GLU . . . -77.59 111.1 12.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.755 ' HB3' ' HB ' ' A' ' 188' ' ' THR . . . -86.09 99.23 11.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 185' ' ' ALA . 18.4 m -37.41 -56.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.374 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -51.73 -43.53 62.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.755 ' HB ' ' HB3' ' A' ' 185' ' ' ALA . 0.5 OUTLIER -63.84 -27.28 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 110.405 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 189' ' ' LEU . 6.1 mt -72.3 -47.16 52.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.674 ' O ' ' HB2' ' A' ' 194' ' ' ALA . 0.5 OUTLIER -58.96 -44.71 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.21 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.829 HG22 HD13 ' A' ' 202' ' ' LEU . 79.7 t -68.36 -46.51 80.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.06 -41.35 97.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 153' ' ' ILE . 26.5 t-20 -83.45 5.8 22.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 190' ' ' LEU . . . -94.35 168.13 11.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ASN . . . . . 0.465 ' CB ' ' CD ' ' A' ' 196' ' ' PRO . 1.2 m-20 -52.13 175.89 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 109.33 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.465 ' CD ' ' CB ' ' A' ' 195' ' ' ASN . 18.1 Cg_endo -74.99 -55.79 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.533 1.807 . . . . 0.0 110.983 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 221' ' ' VAL . 0.7 OUTLIER -54.49 -48.45 71.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.595 1.184 . . . . 0.0 109.312 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' CYS . . . . . 0.419 ' SG ' HD11 ' A' ' 202' ' ' LEU . 17.8 t -56.61 -36.44 69.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 108.238 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -62.27 -43.93 97.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' THR . . . . . . . . . . . . . 43.0 m -65.58 -45.22 84.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.558 1.161 . . . . 0.0 110.388 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.972 ' CG2' ' HB1' ' A' ' 217' ' ' ALA . 14.8 mt -64.33 -37.55 80.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.829 HD13 HG22 ' A' ' 191' ' ' VAL . 12.5 mt -70.92 -33.29 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -65.03 -39.46 93.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ALA . . . . . . . . . . . . . . . -73.65 -34.1 64.79 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' LEU . . . . . 0.895 HD23 ' CB ' ' A' ' 209' ' ' ALA . 0.7 OUTLIER -44.85 -84.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . 171.01 157.82 13.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.462 1.101 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 56.51 4.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' GLY . . . . . . . . . . . . . . . 147.41 50.83 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.519 1.137 . . . . 0.0 111.057 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ALA . . . . . 0.895 ' CB ' HD23 ' A' ' 205' ' ' LEU . . . -80.19 159.5 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 109.343 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' THR . . . . . . . . . . . . . 11.6 t -91.47 155.89 18.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 211' ' ' LEU . 0.3 OUTLIER -48.12 -40.57 23.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -60.06 -41.97 93.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.406 ' HG3' HD21 ' A' ' 205' ' ' LEU . 5.1 tp10 -70.38 -38.23 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.355 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' MET . . . . . . . . . . . . . 7.4 mtt -65.39 -43.38 90.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' MET . . . . . 0.562 ' HA ' ' CD2' ' A' ' 161' ' ' PHE . 2.5 ttt -71.58 -33.41 69.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 111.078 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.01 -39.36 87.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.458 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.972 ' HB1' ' CG2' ' A' ' 201' ' ' ILE . . . -72.3 -41.82 66.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.43 1.081 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' CYS . . . . . 0.695 ' O ' HG12 ' A' ' 221' ' ' VAL . 6.0 t -61.15 -44.01 97.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 108.22 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.6 -25.03 67.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 221' ' ' VAL . . . -77.4 -36.61 33.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.148 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' VAL . . . . . 0.695 HG12 ' O ' ' A' ' 218' ' ' CYS . 1.4 p -39.31 142.06 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.77 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' GLY . . . . . . . . . . . . . . . -63.37 -166.08 0.75 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' GLY . . . . . . . . . . . . . . . 158.01 -146.48 13.44 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.73 5.77 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.492 1.785 . . . . 0.0 110.979 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' GLY . . . . . . . . . . . . . . . -153.24 72.0 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.438 1.086 . . . . 0.0 111.018 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -175.37 174.26 2.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 0.772 . . . . 0.0 109.607 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' LYS . . . . . . . . . . . . . 53.5 tttt -84.49 -63.82 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.165 . . . . 0.0 109.31 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' ALA . . . . . . . . . . . . . . . -39.91 108.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.174 . . . . 0.0 109.349 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -42.96 120.77 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.07 . . . . 0.0 110.254 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.35 144.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.566 1.166 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' LEU . . . . . . . . . . . . . 19.1 tp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 stop_ save_