data_1fkc_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 1fkc _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.514 ' HG ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.766 0.317 . . . . 0.0 111.156 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.514 ' N ' ' HG ' ' A' ' 125' ' ' LEU . . . 123.98 -60.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.878 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -106.17 17.8 40.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.538 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.433 ' HA ' ' HG2' ' A' ' 164' ' ' ARG . 6.1 m-85 -114.37 174.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.74 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.52 ' O ' ' HA ' ' A' ' 162' ' ' TYR . 3.1 mmt -116.49 155.72 28.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.021 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.7 tt -114.13 132.4 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.245 0.545 . . . . 0.0 112.038 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -107.66 117.56 5.23 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.024 178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.524 ' HA ' HE21 ' A' ' 160' ' ' GLN . 58.3 p -52.92 172.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.101 0.477 . . . . 0.0 111.827 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.48 144.83 46.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.597 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.63 -71.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.401 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.485 ' O ' ' HD3' ' A' ' 137' ' ' PRO . 51.1 p -167.06 122.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.128 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.684 ' HG3' ' HE1' ' A' ' 154' ' ' MET . 0.0 OUTLIER -63.16 107.53 1.29 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.207 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.485 ' HD3' ' O ' ' A' ' 135' ' ' SER . 50.4 Cg_exo -55.1 147.58 53.02 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.716 2.278 . . . . 0.0 112.806 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 17.5 mm -90.25 124.32 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.399 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.807 HG13 HG21 ' A' ' 209' ' ' VAL . 1.1 mm -122.44 152.48 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.051 0.453 . . . . 0.0 111.903 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -121.17 114.81 21.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.943 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.431 ' HB2' ' H ' ' A' ' 142' ' ' GLY . 6.5 m-85 -99.71 -93.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.512 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . 0.431 ' H ' ' HB2' ' A' ' 141' ' ' PHE . . . -92.8 -75.5 1.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.637 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 12.8 p -148.65 -154.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.644 0.259 . . . . 0.0 110.686 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -60.02 -29.72 68.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.199 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -58.69 -56.31 23.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.973 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.67 -38.1 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.83 -50.37 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -71.88 -29.87 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -61.54 -55.28 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.437 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.62 ' HB2' ' SD ' ' A' ' 205' ' ' MET . 16.0 t80 -64.09 -46.84 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.58 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 154' ' ' MET . 0.0 OUTLIER -53.83 -35.51 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.619 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.44 -14.97 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.395 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.05 6.61 31.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.702 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' MET . . . . . 0.684 ' HE1' ' HG3' ' A' ' 136' ' ' ARG . 24.9 mtp -55.37 -37.77 67.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.45 -32.0 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -90.91 -8.8 48.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.529 ' HH ' ' HA ' ' A' ' 202' ' ' ASP . 10.8 m-85 -91.51 141.3 25.77 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HB3' ' CE1' ' A' ' 187' ' ' HIS . 16.8 Cg_exo -67.42 143.04 61.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.676 2.25 . . . . 0.0 112.426 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.67 7.43 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.636 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 132' ' ' SER . 26.7 mt-30 -114.91 145.17 42.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.456 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.499 HG13 HG13 ' A' ' 210' ' ' VAL . 14.6 m -131.36 166.26 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TYR . . . . . 0.52 ' HA ' ' O ' ' A' ' 129' ' ' MET . 25.1 m-85 -113.67 119.36 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.323 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -120.15 147.76 44.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.597 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -114.94 155.76 46.03 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.938 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -54.19 154.0 19.82 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.745 2.297 . . . . 0.0 112.137 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.26 131.87 39.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -105.55 -157.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 141.39 34.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 55.24 74.06 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 30.8 p -56.08 112.4 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.255 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -135.81 147.89 48.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLN . . . . . 0.494 ' O ' HG22 ' A' ' 176' ' ' VAL . 4.7 pt20 -81.33 -20.76 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.347 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ASN . . . . . 0.556 ' O ' ' HB2' ' A' ' 177' ' ' HIS . 1.4 p-10 -68.6 -48.39 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.161 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -71.92 -36.17 69.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.886 0.374 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -60.58 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.5 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' VAL . . . . . 0.504 ' HA ' ' HB3' ' A' ' 214' ' ' CYS . 15.5 m -74.52 -36.58 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' HIS . . . . . 0.556 ' HB2' ' O ' ' A' ' 173' ' ' ASN . 0.0 OUTLIER -57.09 -55.25 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.693 0.282 . . . . 0.0 111.438 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASP . . . . . 0.457 ' HA ' ' OD1' ' A' ' 181' ' ' ASN . 7.9 t0 -64.74 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -35.92 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.7 -179.58 157.075 -98.977 -77.218 103.833 2.03 104.174 -76.903 -62.607 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' VAL . . . . . 0.602 ' HA ' HG11 ' A' ' 210' ' ' VAL . 98.0 t -64.51 -54.06 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ASN . . . . . 0.457 ' OD1' ' HA ' ' A' ' 178' ' ' ASP . 1.6 p-10 -57.4 -44.21 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ILE . . . . . 0.503 HG22 ' HB2' ' A' ' 162' ' ' TYR . 2.0 mm -67.97 -43.01 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.666 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' THR . . . . . 0.64 ' HB ' HG12 ' A' ' 210' ' ' VAL . 93.2 m -58.25 -49.66 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' ILE . . . . . 0.575 HD13 ' HA ' ' A' ' 207' ' ' GLU . 1.3 mp -70.07 -42.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.006 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.513 ' O ' HG23 ' A' ' 189' ' ' VAL . 0.0 OUTLIER -64.99 -21.62 66.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.176 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLN . . . . . 0.426 ' HB2' ' O ' ' A' ' 182' ' ' ILE . 0.0 OUTLIER -85.41 -47.44 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.985 -179.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.405 ' CE1' ' HB3' ' A' ' 158' ' ' PRO . 80.1 m-70 -69.14 -38.29 78.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.692 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 20.8 p -59.09 -25.13 63.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.245 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 185' ' ' LYS . 95.9 t -86.67 -55.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . 0.627 HG23 ' H ' ' A' ' 191' ' ' THR . 1.8 t -85.02 -52.31 6.06 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' THR . . . . . 0.627 ' H ' HG23 ' A' ' 190' ' ' THR . 2.1 m -56.35 -38.73 71.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' THR . . . . . . . . . . . . . 5.7 m -70.54 -16.0 62.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 2.8 m -108.76 -7.16 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -16.53 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 138.39 45.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -177.3 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -156.16 103.13 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' PHE . . . . . 0.573 ' HD1' ' HB3' ' A' ' 202' ' ' ASP . 76.7 m-85 -99.96 109.38 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' THR . . . . . 0.475 ' N ' ' HB2' ' A' ' 202' ' ' ASP . 0.1 OUTLIER -96.71 -167.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.168 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' ' 203' ' ' VAL . 0.0 OUTLIER -57.26 -45.09 84.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 205' ' ' MET . 9.1 m -68.43 -32.02 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.573 ' HB3' ' HD1' ' A' ' 198' ' ' PHE . 0.6 OUTLIER -66.54 -47.63 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.344 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 200' ' ' LYS . 17.0 m -66.49 -28.45 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -55.77 26.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.948 0.404 . . . . 0.0 110.292 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' MET . . . . . 0.62 ' SD ' ' HB2' ' A' ' 150' ' ' TYR . 1.7 mtt -66.49 -37.17 84.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.129 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' MET . . . . . . . . . . . . . 5.8 mtm -57.19 -39.59 75.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLU . . . . . 0.575 ' HA ' HD13 ' A' ' 184' ' ' ILE . 23.3 mt-10 -60.11 -43.33 95.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.078 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' ARG . . . . . 0.402 ' C ' HD11 ' A' ' 139' ' ' ILE . 9.3 mmt180 -73.54 -45.06 55.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.056 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' VAL . . . . . 0.807 HG21 HG13 ' A' ' 139' ' ' ILE . 58.4 t -67.18 -38.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.935 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' VAL . . . . . 0.64 HG12 ' HB ' ' A' ' 183' ' ' THR . 37.7 t -70.04 -36.86 70.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.488 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -43.73 76.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.282 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' GLN . . . . . 0.499 ' HG3' HD12 ' A' ' 139' ' ' ILE . 0.7 OUTLIER -67.73 -41.58 83.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.389 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.35 -29.37 70.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' CYS . . . . . 0.504 ' HB3' ' HA ' ' A' ' 176' ' ' VAL . 71.2 m -71.07 -35.73 72.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.194 179.669 -62.607 -76.903 -77.218 104.174 2.03 103.833 -98.977 157.075 2 2 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' ILE . . . . . 0.485 ' O ' ' HB3' ' A' ' 218' ' ' TYR . 7.5 mt -66.01 -41.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.171 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 220' ' ' ARG . 17.4 m -56.73 -44.81 82.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.397 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -71.17 -26.63 63.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.593 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' TYR . . . . . 0.485 ' HB3' ' O ' ' A' ' 215' ' ' ILE . 65.8 t80 -59.28 -42.65 91.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.154 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.15 -27.56 62.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.546 ' HG3' ' O ' ' A' ' 216' ' ' THR . 90.2 mtt-85 -66.9 -40.7 87.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.517 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.11 -26.06 29.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.665 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' SER . . . . . . . . . . . . . 14.9 p -71.86 -27.85 63.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -72.62 -32.57 66.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.42 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' ALA . . . . . . . . . . . . . . . -84.99 -27.09 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.908 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.82 -36.22 42.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.93 -34.75 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -81.12 -17.8 48.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -31.87 71.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . . . . . . . . . . . 86.39 -158.36 31.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 29.9 t -97.77 96.12 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.766 0.317 . . . . 0.0 111.156 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.53 ' N ' ' HG ' ' A' ' 125' ' ' LEU . . . 123.98 -60.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.878 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -106.17 17.8 40.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.538 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.468 ' HA ' ' HG2' ' A' ' 164' ' ' ARG . 6.1 m-85 -114.37 174.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.74 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.533 ' O ' ' HA ' ' A' ' 162' ' ' TYR . 3.1 mmt -116.49 155.72 28.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.021 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 131' ' ' GLY . 2.7 tt -114.13 132.4 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.245 0.545 . . . . 0.0 112.038 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.592 ' N ' HD23 ' A' ' 130' ' ' LEU . . . -107.66 117.56 5.23 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.024 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.3 p -52.92 172.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.101 0.477 . . . . 0.0 111.827 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.48 144.83 46.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.597 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' MET . . . . . 0.411 ' H ' ' HG2' ' A' ' 134' ' ' MET . 0.0 OUTLIER -130.63 -71.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.401 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.469 ' O ' ' HD3' ' A' ' 137' ' ' PRO . 51.1 p -167.06 122.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.128 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' HG3' ' HE1' ' A' ' 154' ' ' MET . 0.0 OUTLIER -63.16 107.53 1.29 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.207 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.511 ' HD2' HG13 ' A' ' 209' ' ' VAL . 50.4 Cg_exo -55.1 147.58 53.02 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.716 2.278 . . . . 0.0 112.806 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 17.5 mm -90.25 124.32 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.399 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 209' ' ' VAL . 1.1 mm -122.44 152.48 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.051 0.453 . . . . 0.0 111.903 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -121.17 114.81 21.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.943 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.428 ' HB2' ' H ' ' A' ' 142' ' ' GLY . 6.5 m-85 -99.71 -93.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.512 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 141' ' ' PHE . . . -92.8 -75.5 1.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.637 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.434 ' HB2' ' H ' ' A' ' 144' ' ' ASP . 12.8 p -148.65 -154.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.644 0.259 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . 0.434 ' H ' ' HB2' ' A' ' 143' ' ' SER . 64.2 m-20 -60.02 -29.72 68.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.199 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -58.69 -56.31 23.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.973 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.67 -38.1 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.83 -50.37 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -71.88 -29.87 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -61.54 -55.28 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.437 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.628 ' HB2' ' SD ' ' A' ' 205' ' ' MET . 16.0 t80 -64.09 -46.84 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.58 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 154' ' ' MET . 0.0 OUTLIER -53.83 -35.51 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.619 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.44 -14.97 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.395 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.05 6.61 31.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.702 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 151' ' ' ARG . 24.9 mtp -55.37 -37.77 67.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.45 -32.0 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -90.91 -8.8 48.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.431 ' OH ' ' HA ' ' A' ' 202' ' ' ASP . 10.8 m-85 -91.51 141.3 25.77 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.426 ' HB3' ' CE1' ' A' ' 187' ' ' HIS . 16.8 Cg_exo -67.42 143.04 61.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.676 2.25 . . . . 0.0 112.426 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.67 7.43 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.636 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.405 ' HB3' HD21 ' A' ' 130' ' ' LEU . 48.4 mt-30 -114.91 145.17 42.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.456 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.633 HG12 HG21 ' A' ' 183' ' ' THR . 14.6 m -131.36 166.26 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 129' ' ' MET . 25.1 m-85 -113.67 119.36 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.323 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' TYR . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 175' ' ' PHE . 18.2 p90 -120.15 147.76 44.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.597 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.468 ' HG2' ' HA ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -114.94 155.76 46.03 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.938 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -54.19 154.0 19.82 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.745 2.297 . . . . 0.0 112.137 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.26 131.87 39.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -105.55 -157.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 141.39 34.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 55.24 74.06 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 30.8 p -56.08 112.4 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.255 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -135.81 147.89 48.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLN . . . . . 0.459 ' H ' ' HG2' ' A' ' 172' ' ' GLN . 4.7 pt20 -81.33 -20.76 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.347 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 177' ' ' HIS . 1.4 p-10 -68.6 -48.39 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.161 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -71.92 -36.17 69.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.886 0.374 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 163' ' ' TYR . 41.5 t80 -60.58 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 180' ' ' VAL . 15.5 m -74.52 -36.58 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 173' ' ' ASN . 0.0 OUTLIER -57.09 -55.25 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.693 0.282 . . . . 0.0 111.438 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASP . . . . . 0.471 ' HA ' ' OD1' ' A' ' 181' ' ' ASN . 7.9 t0 -64.74 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -35.92 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.7 -179.58 157.075 -98.977 -77.218 103.833 2.03 104.174 -76.903 -62.607 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 176' ' ' VAL . 98.0 t -64.51 -54.06 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 178' ' ' ASP . 1.6 p-10 -57.4 -44.21 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 182' ' ' ILE . 2.0 mm -67.97 -43.01 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.666 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' THR . . . . . 0.633 HG21 HG12 ' A' ' 161' ' ' VAL . 93.2 m -58.25 -49.66 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.07 -42.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.006 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -21.62 66.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.176 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLN . . . . . 0.576 ' O ' HG22 ' A' ' 190' ' ' THR . 0.0 OUTLIER -85.41 -47.44 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.985 -179.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 158' ' ' PRO . 80.1 m-70 -69.14 -38.29 78.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.692 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 20.8 p -59.09 -25.13 63.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.245 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 95.9 t -86.67 -55.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 186' ' ' GLN . 1.8 t -85.02 -52.31 6.06 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 190' ' ' THR . 2.1 m -56.35 -38.73 71.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 197' ' ' ASN . 5.7 m -70.54 -16.0 62.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 2.8 m -108.76 -7.16 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -16.53 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 138.39 45.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -177.3 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' ASN . . . . . 0.518 ' HA ' HG23 ' A' ' 192' ' ' THR . 8.9 t-20 -156.16 103.13 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' PHE . . . . . 0.572 ' HD1' ' HB3' ' A' ' 202' ' ' ASP . 76.7 m-85 -99.96 109.38 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 202' ' ' ASP . 0.1 OUTLIER -96.71 -167.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.168 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LYS . . . . . 0.454 ' HD2' ' OG1' ' A' ' 201' ' ' THR . 0.0 OUTLIER -57.26 -45.09 84.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 201' ' ' THR . . . . . 0.5 ' O ' ' HG3' ' A' ' 205' ' ' MET . 9.1 m -68.43 -32.02 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.572 ' HB3' ' HD1' ' A' ' 198' ' ' PHE . 0.6 OUTLIER -66.54 -47.63 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.344 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 200' ' ' LYS . 17.0 m -66.49 -28.45 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -55.77 26.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.948 0.404 . . . . 0.0 110.292 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' MET . . . . . 0.628 ' SD ' ' HB2' ' A' ' 150' ' ' TYR . 1.7 mtt -66.49 -37.17 84.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.129 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' MET . . . . . . . . . . . . . 5.8 mtm -57.19 -39.59 75.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.11 -43.33 95.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' ARG . . . . . 0.418 ' CB ' HG21 ' A' ' 139' ' ' ILE . 9.3 mmt180 -73.54 -45.06 55.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.056 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 139' ' ' ILE . 58.4 t -67.18 -38.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.935 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' VAL . . . . . 0.505 HG11 ' HB ' ' A' ' 183' ' ' THR . 37.7 t -70.04 -36.86 70.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.488 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' GLU . . . . . 0.4 ' HG2' ' HG2' ' A' ' 212' ' ' GLN . 0.0 OUTLIER -55.64 -43.73 76.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.282 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 212' ' ' GLN . . . . . 0.745 ' HA ' HD12 ' A' ' 215' ' ' ILE . 0.6 OUTLIER -67.73 -41.58 83.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.389 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 213' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.35 -29.37 70.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 214' ' ' CYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 176' ' ' VAL . 71.2 m -71.07 -35.73 72.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.194 179.669 -62.607 -76.903 -77.218 104.174 2.03 103.833 -98.977 157.075 2 2 . 1 . 001 nuclear build full ' A' A ' 215' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 212' ' ' GLN . 7.5 mt -66.01 -41.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.171 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 216' ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' ' 220' ' ' ARG . 17.4 m -56.73 -44.81 82.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.397 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 217' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -71.17 -26.63 63.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.593 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' TYR . . . . . 0.499 ' HB3' ' O ' ' A' ' 215' ' ' ILE . 65.8 t80 -59.28 -42.65 91.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.154 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.15 -27.56 62.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 216' ' ' THR . 90.2 mtt-85 -66.9 -40.7 87.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.517 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.11 -26.06 29.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.665 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 222' ' ' SER . . . . . . . . . . . . . 14.9 p -71.86 -27.85 63.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -72.62 -32.57 66.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.42 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 224' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 227' ' ' GLN . . . -84.99 -27.09 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.908 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 225' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.82 -36.22 42.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 226' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.93 -34.75 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 224' ' ' ALA . 1.3 pp0? -81.12 -17.8 48.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 228' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -31.87 71.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' GLY . . . . . . . . . . . . . . . 86.39 -158.36 31.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 29.9 t -97.77 96.12 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' A' ' 126' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.766 0.317 . . . . 0.0 111.156 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.53 ' N ' ' HG ' ' A' ' 125' ' ' LEU . . . 123.98 -60.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.878 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -106.17 17.8 40.31 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.932 -0.651 . . . . 0.0 111.538 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.468 ' HA ' ' HG2' ' A' ' 164' ' ' ARG . 6.1 m-85 -114.37 174.53 5.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.74 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.533 ' O ' ' HA ' ' A' ' 162' ' ' TYR . 3.1 mmt -116.49 155.72 28.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.021 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.592 HD23 ' N ' ' A' ' 131' ' ' GLY . 2.7 tt -114.13 132.4 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.245 0.545 . . . . 0.0 112.038 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.592 ' N ' HD23 ' A' ' 130' ' ' LEU . . . -107.66 117.56 5.23 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.024 178.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.544 ' HA ' HE21 ' A' ' 160' ' ' GLN . 58.3 p -52.92 172.0 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.101 0.477 . . . . 0.0 111.827 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.48 144.83 46.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.597 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' MET . . . . . 0.411 ' H ' ' HG2' ' A' ' 134' ' ' MET . 0.0 OUTLIER -130.63 -71.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.401 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.469 ' O ' ' HD3' ' A' ' 137' ' ' PRO . 51.1 p -167.06 122.62 1.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.128 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' HG3' ' HE1' ' A' ' 154' ' ' MET . 0.0 OUTLIER -63.16 107.53 1.29 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.207 -179.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.511 ' HD2' HG13 ' A' ' 209' ' ' VAL . 50.4 Cg_exo -55.1 147.58 53.02 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.716 2.278 . . . . 0.0 112.806 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 17.5 mm -90.25 124.32 42.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.399 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.565 HG13 HG22 ' A' ' 209' ' ' VAL . 1.1 mm -122.44 152.48 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.051 0.453 . . . . 0.0 111.903 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -121.17 114.81 21.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.943 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.428 ' HB2' ' H ' ' A' ' 142' ' ' GLY . 6.5 m-85 -99.71 -93.0 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.512 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . 0.428 ' H ' ' HB2' ' A' ' 141' ' ' PHE . . . -92.8 -75.5 1.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.637 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.434 ' HB2' ' H ' ' A' ' 144' ' ' ASP . 12.8 p -148.65 -154.3 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.644 0.259 . . . . 0.0 110.686 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.434 ' H ' ' HB2' ' A' ' 143' ' ' SER . 64.2 m-20 -60.02 -29.72 68.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.199 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' TYR . . . . . . . . . . . . . 33.9 t80 -58.69 -56.31 23.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.973 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -71.67 -38.1 70.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.207 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -55.83 -50.37 70.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.19 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -71.88 -29.87 64.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -61.54 -55.28 32.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.381 . . . . 0.0 110.437 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.628 ' HB2' ' SD ' ' A' ' 205' ' ' MET . 16.0 t80 -64.09 -46.84 82.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.58 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 154' ' ' MET . 0.0 OUTLIER -53.83 -35.51 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.619 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.44 -14.97 44.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.395 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -106.05 6.61 31.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.702 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 151' ' ' ARG . 24.9 mtp -55.37 -37.77 67.96 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.869 0.366 . . . . 0.0 110.914 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -60.45 -32.0 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -90.91 -8.8 48.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.071 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.431 ' OH ' ' HA ' ' A' ' 202' ' ' ASP . 10.8 m-85 -91.51 141.3 25.77 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.426 ' HB3' ' CE1' ' A' ' 187' ' ' HIS . 16.8 Cg_exo -67.42 143.04 61.9 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.676 2.25 . . . . 0.0 112.426 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -117.67 7.43 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.636 179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.544 HE21 ' HA ' ' A' ' 132' ' ' SER . 26.7 mt-30 -114.91 145.17 42.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.456 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.633 HG12 HG21 ' A' ' 183' ' ' THR . 14.6 m -131.36 166.26 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 111.615 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TYR . . . . . 0.533 ' HA ' ' O ' ' A' ' 129' ' ' MET . 25.1 m-85 -113.67 119.36 37.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.323 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' TYR . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 175' ' ' PHE . 18.2 p90 -120.15 147.76 44.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.597 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.468 ' HG2' ' HA ' ' A' ' 128' ' ' TYR . 0.0 OUTLIER -114.94 155.76 46.03 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.938 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -54.19 154.0 19.82 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.745 2.297 . . . . 0.0 112.137 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.26 131.87 39.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.052 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -105.55 -157.65 0.62 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.764 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.04 141.39 34.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.847 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 55.24 74.06 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' SER . . . . . . . . . . . . . 30.8 p -56.08 112.4 1.2 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.255 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -135.81 147.89 48.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLN . . . . . 0.459 ' H ' ' HG2' ' A' ' 172' ' ' GLN . 4.7 pt20 -81.33 -20.76 40.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.347 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ASN . . . . . 0.562 ' O ' ' HB2' ' A' ' 177' ' ' HIS . 1.4 p-10 -68.6 -48.39 64.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.161 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -71.92 -36.17 69.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.886 0.374 . . . . 0.0 111.067 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 163' ' ' TYR . 41.5 t80 -60.58 -51.25 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.5 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' VAL . . . . . 0.702 ' O ' HG23 ' A' ' 180' ' ' VAL . 15.5 m -74.52 -36.58 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 173' ' ' ASN . 0.0 OUTLIER -57.09 -55.25 37.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.693 0.282 . . . . 0.0 111.438 -179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASP . . . . . 0.471 ' HA ' ' OD1' ' A' ' 181' ' ' ASN . 7.9 t0 -64.74 -26.13 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -74.38 -35.92 63.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.7 -179.58 157.075 -98.977 -77.218 103.833 2.03 104.174 -76.903 -62.607 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 176' ' ' VAL . 98.0 t -64.51 -54.06 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ASN . . . . . 0.471 ' OD1' ' HA ' ' A' ' 178' ' ' ASP . 1.6 p-10 -57.4 -44.21 84.35 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ILE . . . . . 0.423 ' HA ' HD13 ' A' ' 182' ' ' ILE . 2.0 mm -67.97 -43.01 85.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.666 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' THR . . . . . 0.633 HG21 HG12 ' A' ' 161' ' ' VAL . 93.2 m -58.25 -49.66 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' ILE . . . . . . . . . . . . . 1.3 mp -70.07 -42.68 79.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.687 0.28 . . . . 0.0 111.006 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -21.62 66.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.176 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLN . . . . . 0.576 ' O ' HG22 ' A' ' 190' ' ' THR . 0.0 OUTLIER -85.41 -47.44 9.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.985 -179.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.426 ' CE1' ' HB3' ' A' ' 158' ' ' PRO . 80.1 m-70 -69.14 -38.29 78.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.692 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 20.8 p -59.09 -25.13 63.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.832 0.349 . . . . 0.0 111.245 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 95.9 t -86.67 -55.09 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 186' ' ' GLN . 1.8 t -85.02 -52.31 6.06 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' THR . . . . . 0.402 ' H ' HG23 ' A' ' 190' ' ' THR . 2.1 m -56.35 -38.73 71.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' THR . . . . . 0.518 HG23 ' HA ' ' A' ' 197' ' ' ASN . 5.7 m -70.54 -16.0 62.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' THR . . . . . . . . . . . . . 2.8 m -108.76 -7.16 15.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.89 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -16.53 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLY . . . . . . . . . . . . . . . 138.39 45.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.44 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.29 -177.3 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.783 0.325 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' ASN . . . . . 0.518 ' HA ' HG23 ' A' ' 192' ' ' THR . 8.9 t-20 -156.16 103.13 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' PHE . . . . . 0.572 ' HD1' ' HB3' ' A' ' 202' ' ' ASP . 76.7 m-85 -99.96 109.38 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' THR . . . . . 0.482 ' N ' ' HB2' ' A' ' 202' ' ' ASP . 0.1 OUTLIER -96.71 -167.07 1.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.168 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LYS . . . . . 0.454 ' HD2' ' OG1' ' A' ' 201' ' ' THR . 0.0 OUTLIER -57.26 -45.09 84.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.09 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' THR . . . . . 0.5 ' O ' ' HG3' ' A' ' 205' ' ' MET . 9.1 m -68.43 -32.02 71.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.572 ' HB3' ' HD1' ' A' ' 198' ' ' PHE . 0.6 OUTLIER -66.54 -47.63 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.344 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.45 HG22 ' O ' ' A' ' 200' ' ' LYS . 17.0 m -66.49 -28.45 43.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 111.111 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.84 -55.77 26.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.948 0.404 . . . . 0.0 110.292 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' MET . . . . . 0.628 ' SD ' ' HB2' ' A' ' 150' ' ' TYR . 1.7 mtt -66.49 -37.17 84.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.129 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' MET . . . . . . . . . . . . . 5.8 mtm -57.19 -39.59 75.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.569 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -60.11 -43.33 95.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.078 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' ARG . . . . . 0.418 ' CB ' HG21 ' A' ' 139' ' ' ILE . 9.3 mmt180 -73.54 -45.06 55.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.056 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' VAL . . . . . 0.565 HG22 HG13 ' A' ' 139' ' ' ILE . 58.4 t -67.18 -38.96 82.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.935 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' VAL . . . . . 0.505 HG11 ' HB ' ' A' ' 183' ' ' THR . 37.7 t -70.04 -36.86 70.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.488 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' GLU . . . . . 0.4 ' HG2' ' HG2' ' A' ' 212' ' ' GLN . 0.0 OUTLIER -55.64 -43.73 76.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.282 179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' GLN . . . . . 0.745 ' HA ' HD12 ' A' ' 215' ' ' ILE . 0.7 OUTLIER -67.73 -41.58 83.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.389 179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.35 -29.37 70.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.961 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' CYS . . . . . 0.511 ' HB3' ' HA ' ' A' ' 176' ' ' VAL . 71.2 m -71.07 -35.73 72.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.194 179.669 -62.607 -76.903 -77.218 104.174 2.03 103.833 -98.977 157.075 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' ILE . . . . . 0.745 HD12 ' HA ' ' A' ' 212' ' ' GLN . 7.5 mt -66.01 -41.83 90.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.171 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' THR . . . . . 0.562 ' O ' ' HG3' ' A' ' 220' ' ' ARG . 17.4 m -56.73 -44.81 82.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.397 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -71.17 -26.63 63.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.593 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' TYR . . . . . 0.499 ' HB3' ' O ' ' A' ' 215' ' ' ILE . 65.8 t80 -59.28 -42.65 91.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.154 179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -72.15 -27.56 62.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.32 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.562 ' HG3' ' O ' ' A' ' 216' ' ' THR . 90.2 mtt-85 -66.9 -40.7 87.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.517 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -84.11 -26.06 29.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.665 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' SER . . . . . . . . . . . . . 14.9 p -71.86 -27.85 63.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.556 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -72.62 -32.57 66.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.42 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 227' ' ' GLN . . . -84.99 -27.09 26.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.908 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -78.82 -36.22 42.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.796 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -73.93 -34.75 64.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLN . . . . . 0.407 ' HG2' ' HA ' ' A' ' 224' ' ' ALA . 1.3 pp0? -81.12 -17.8 48.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.708 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -31.87 71.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.829 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . . . . . . . . . . . 86.39 -158.36 31.2 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.502 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' SER . . . . . . . . . . . . . 29.9 t -97.77 96.12 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.957 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 stop_ save_