data_1mbj_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 1mbj _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 ' 142' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.91 139.92 57.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.69 -61.41 1.83 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 t 42.86 -153.39 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.809 0.844 . . . . 0.0 110.781 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.2 m 44.93 64.42 1.39 Allowed 'General case' 0 C--N 1.345 0.4 0 C-N-CA 122.892 0.477 . . . . 0.0 110.417 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . 0.419 ' CZ3' HD12 ' A' ' 155' ' ' ILE . 61.0 m95 62.48 115.78 0.02 OUTLIER 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.674 0.79 . . . . 0.0 110.998 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.1 p -80.07 159.16 26.24 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.978 0.418 . . . . 0.0 110.16 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.22 -34.82 75.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.052 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.4 -45.66 72.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -55.64 -43.99 76.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.14 -45.03 83.88 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -61.75 -43.03 99.65 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.96 -52.88 55.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.419 HD12 ' CZ3' ' A' ' 147' ' ' TRP . 57.9 mt -61.22 -45.11 99.24 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.35 -52.46 65.25 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.86 -49.95 74.95 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.36 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.829 -0.168 . . . . 0.0 110.925 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -69.14 -38.9 79.06 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 122.551 0.34 . . . . 0.0 110.297 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -63.22 -35.95 82.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -84.84 -49.7 8.19 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.261 0.224 . . . . 0.0 111.012 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 61.5 mt -86.72 -60.59 1.95 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.396 0.278 . . . . 0.0 110.98 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 126.91 -141.03 12.33 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -83.22 33.36 0.45 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.134 0.467 . . . . 0.0 110.048 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -87.14 65.05 8.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.67 -22.28 66.82 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.98 61.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -98.49 -50.55 4.25 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.4 -42.52 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.61 63.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.908 0.483 . . . . 0.0 110.983 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -72.51 -37.17 68.45 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.14 -34.01 75.55 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 84.8 mt -121.76 80.99 40.96 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -54.92 -39.17 91.78 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.832 2.354 . . . . 0.0 111.78 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -61.81 -23.26 63.11 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -103.61 106.14 16.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 77.7 p -71.47 161.63 30.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -43.38 71.61 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.48 -44.71 90.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.18 66.71 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.012 0.125 . . . . 0.0 110.695 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.5 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -52.99 -52.5 58.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.562 0.345 . . . . 0.0 110.433 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.69 -53.78 53.22 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -51.91 -50.67 60.62 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 122.58 0.352 . . . . 0.0 110.961 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -61.59 -55.4 31.22 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -80.26 50.8 1.3 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.509 0.195 . . . . 0.0 110.57 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.6 m -165.57 -52.81 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.6 m -94.33 -55.83 3.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.403 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 31.1 mtm -106.18 66.54 0.71 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.185 0.194 . . . . 0.0 110.589 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -80.25 60.8 3.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -119.05 67.21 0.78 Allowed 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -73.34 71.71 1.26 Allowed 'General case' 0 C--N 1.34 0.179 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.9 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 13.2 p -165.41 -35.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.041 0 O-C-N 122.383 -0.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.91 139.92 57.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.69 -61.41 1.83 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 t 42.86 -153.39 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.809 0.844 . . . . 0.0 110.781 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.2 m 44.93 64.42 1.39 Allowed 'General case' 0 C--N 1.345 0.4 0 C-N-CA 122.892 0.477 . . . . 0.0 110.417 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' TRP . . . . . 0.457 ' CZ3' HD11 ' A' ' 155' ' ' ILE . 61.0 m95 62.48 115.78 0.02 OUTLIER 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.674 0.79 . . . . 0.0 110.998 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.1 p -80.07 159.16 26.24 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.978 0.418 . . . . 0.0 110.16 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.22 -34.82 75.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.052 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.4 -45.66 72.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -55.64 -43.99 76.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.14 -45.03 83.88 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -61.75 -43.03 99.65 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.96 -52.88 55.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.457 HD11 ' CZ3' ' A' ' 147' ' ' TRP . 57.9 mt -61.22 -45.11 99.24 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.35 -52.46 65.25 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.86 -49.95 74.95 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.36 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.829 -0.168 . . . . 0.0 110.925 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -69.14 -38.9 79.06 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 122.551 0.34 . . . . 0.0 110.297 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -63.22 -35.95 82.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -84.84 -49.7 8.19 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.261 0.224 . . . . 0.0 111.012 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 61.5 mt -86.72 -60.59 1.95 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.396 0.278 . . . . 0.0 110.98 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 126.91 -141.03 12.33 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -83.22 33.36 0.45 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.134 0.467 . . . . 0.0 110.048 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -87.14 65.05 8.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.67 -22.28 66.82 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.98 61.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -98.49 -50.55 4.25 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.4 -42.52 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.61 63.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.908 0.483 . . . . 0.0 110.983 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -72.51 -37.17 68.45 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.14 -34.01 75.55 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 84.8 mt -121.76 80.99 40.96 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -54.92 -39.17 91.78 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.832 2.354 . . . . 0.0 111.78 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -61.81 -23.26 63.11 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -103.61 106.14 16.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 77.7 p -71.47 161.63 30.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -43.38 71.61 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.48 -44.71 90.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.18 66.71 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.012 0.125 . . . . 0.0 110.695 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.5 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -52.99 -52.5 58.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.562 0.345 . . . . 0.0 110.433 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.69 -53.78 53.22 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -51.91 -50.67 60.62 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 122.58 0.352 . . . . 0.0 110.961 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -61.59 -55.4 31.22 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -80.26 50.8 1.3 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.509 0.195 . . . . 0.0 110.57 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.6 m -165.57 -52.81 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.6 m -94.33 -55.83 3.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.403 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 31.1 mtm -106.18 66.54 0.71 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.185 0.194 . . . . 0.0 110.589 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -80.25 60.8 3.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -119.05 67.21 0.78 Allowed 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -73.34 71.71 1.26 Allowed 'General case' 0 C--N 1.34 0.179 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.9 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 13.2 p -165.41 -35.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.041 0 O-C-N 122.383 -0.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -66.91 139.92 57.74 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.69 -61.41 1.83 Allowed 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 15.1 t 42.86 -153.39 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.809 0.844 . . . . 0.0 110.781 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.2 m 44.93 64.42 1.39 Allowed 'General case' 0 C--N 1.345 0.4 0 C-N-CA 122.892 0.477 . . . . 0.0 110.417 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . 0.457 ' CZ3' HD11 ' A' ' 155' ' ' ILE . 61.0 m95 62.48 115.78 0.02 OUTLIER 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.674 0.79 . . . . 0.0 110.998 -178.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.1 p -80.07 159.16 26.24 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-O 120.978 0.418 . . . . 0.0 110.16 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -61.22 -34.82 75.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.052 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.4 -45.66 72.08 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -55.64 -43.99 76.72 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -57.14 -45.03 83.88 Favored 'General case' 0 C--N 1.34 0.157 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -61.75 -43.03 99.65 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.96 -52.88 55.3 Favored 'Isoleucine or valine' 0 C--N 1.342 0.275 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.457 HD11 ' CZ3' ' A' ' 147' ' ' TRP . 57.9 mt -61.22 -45.11 99.24 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.496 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -57.35 -52.46 65.25 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 110.595 -0.15 . . . . 0.0 110.595 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -57.86 -49.95 74.95 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 110.445 -0.205 . . . . 0.0 110.445 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.3 -38.49 90.36 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.829 -0.168 . . . . 0.0 110.925 -178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 50.6 t-80 -69.14 -38.9 79.06 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 122.551 0.34 . . . . 0.0 110.297 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -63.22 -35.95 82.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -84.84 -49.7 8.19 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.261 0.224 . . . . 0.0 111.012 -178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 61.5 mt -86.72 -60.59 1.95 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.396 0.278 . . . . 0.0 110.98 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' GLY . . . . . . . . . . . . . . . 126.91 -141.03 12.33 Favored Glycine 0 C--N 1.338 0.651 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -83.22 33.36 0.45 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 117.134 0.467 . . . . 0.0 110.048 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -87.14 65.05 8.7 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -63.67 -22.28 66.82 Favored 'General case' 0 C--O 1.217 -0.647 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.98 61.53 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -98.49 -50.55 4.25 Favored 'General case' 0 C--N 1.346 0.415 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 54.0 mt -56.4 -42.52 74.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -58.26 -26.61 63.15 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 122.908 0.483 . . . . 0.0 110.983 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -72.51 -37.17 68.45 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 67.1 mt -68.14 -34.01 75.55 Favored 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 84.8 mt -121.76 80.99 40.96 Favored Pre-proline 0 CA--C 1.534 0.352 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -54.92 -39.17 91.78 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.832 2.354 . . . . 0.0 111.78 -177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -61.81 -23.26 63.11 Favored Glycine 0 CA--C 1.533 1.164 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -103.61 106.14 16.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 77.7 p -71.47 161.63 30.73 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 120.77 0.319 . . . . 0.0 110.427 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -43.38 71.61 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.48 -44.71 90.13 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ALA . . . . . . . . . . . . . . . -59.42 -52.18 66.71 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 122.012 0.125 . . . . 0.0 110.695 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ILE . . . . . . . . . . . . . 36.2 mt -64.5 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -178.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -52.99 -52.5 58.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.562 0.345 . . . . 0.0 110.433 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.69 -53.78 53.22 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -51.91 -50.67 60.62 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 122.58 0.352 . . . . 0.0 110.961 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' TRP . . . . . . . . . . . . . 26.2 t-105 -61.59 -55.4 31.22 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 110.557 -0.164 . . . . 0.0 110.557 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -80.26 50.8 1.3 Allowed 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 120.509 0.195 . . . . 0.0 110.57 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.6 m -165.57 -52.81 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.6 m -94.33 -55.83 3.04 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.403 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' MET . . . . . . . . . . . . . 31.1 mtm -106.18 66.54 0.71 Allowed 'General case' 0 C--N 1.343 0.307 0 C-N-CA 122.185 0.194 . . . . 0.0 110.589 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -80.25 60.8 3.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -119.05 67.21 0.78 Allowed 'General case' 0 C--N 1.341 0.213 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' LYS . . . . . . . . . . . . . 14.0 mtpp -73.34 71.71 1.26 Allowed 'General case' 0 C--N 1.34 0.179 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.9 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' VAL . . . . . . . . . . . . . 13.2 p -165.41 -35.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.041 0 O-C-N 122.383 -0.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_