data_2mhu_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 2mhu _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 1' ' ' MET . . . . . 0.406 ' CA ' ' HA ' ' A' ' 6' ' ' SER . 1.4 tmt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.502 0.191 . . . . 13.23 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -83.02 -51.91 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 6.08 109.249 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 18.3 Cg_endo -75.0 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 5.47 111.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 1.5 m120 -154.46 25.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 4.42 109.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 10.5 t -143.03 112.16 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.59 108.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.406 ' HA ' ' CA ' ' A' ' 1' ' ' MET . 42.4 p -94.01 4.38 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 3.69 110.008 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.0 m -74.51 58.98 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 3.09 108.249 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.35 -61.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 4.06 109.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.47 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 5.11 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -37.94 152.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 6.03 111.013 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.2 m-20 -38.91 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 6.01 109.283 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' GLY . 79.4 p -142.21 18.95 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 8.53 109.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 1.2 t -94.27 83.66 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 2.82 108.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 14' ' ' THR . 3.1 m -95.91 39.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 3.57 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 16' ' ' ALA . 98.8 m -79.6 3.34 19.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 2.27 108.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' CYS . . . -45.5 -96.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 3.14 109.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -100.9 46.56 1.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 2.83 110.979 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.6 p 161.94 126.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 3.98 110.002 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 7.4 t -116.97 73.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 2.0 108.317 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -73.42 -10.99 60.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 7.74 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.4 t -52.65 147.34 8.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.31 108.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -75.32 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 5.67 109.274 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' CB ' ' HB2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -83.22 49.58 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 4.42 110.302 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 26.8 t -42.23 145.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 1.11 108.248 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' HD3' ' O ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -124.32 -7.05 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 6.85 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.8 m -47.8 109.59 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 3.91 108.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -50.66 -58.72 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 4.29 110.435 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -50.29 -23.72 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 5.74 109.968 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.81 59.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 2.79 108.251 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.949 -1.5 . . . . 8.76 109.282 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 1.4 tmt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.502 0.191 . . . . 12.2 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -83.02 -51.91 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 6.08 109.249 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 18.3 Cg_endo -75.0 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 4.59 111.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 1.2 m-80 -154.46 25.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 4.42 109.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 10.5 t -143.03 112.16 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.59 108.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 42.4 p -94.01 4.38 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 3.17 110.008 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.0 m -74.51 58.98 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 2.71 108.249 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.35 -61.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 3.32 109.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.47 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 4.29 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -37.94 152.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 5.11 111.013 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.2 m-20 -38.91 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 6.01 109.283 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' GLY . 79.4 p -142.21 18.95 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 8.01 109.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 1.2 t -94.27 83.66 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 2.59 108.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.724 ' O ' HG22 ' A' ' 14' ' ' THR . 3.1 m -95.91 39.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 2.72 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 16' ' ' ALA . 98.8 m -79.6 3.34 19.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 2.27 108.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' CYS . . . -45.5 -96.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 2.36 109.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -100.9 46.56 1.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 2.83 110.979 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.6 p 161.94 126.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 2.95 110.002 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 7.4 t -116.97 73.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.45 108.317 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -73.42 -10.99 60.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 6.92 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.4 t -52.65 147.34 8.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.22 108.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -75.32 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 4.58 109.274 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' CB ' ' HB2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -83.22 49.58 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 4.42 110.302 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 26.8 t -42.23 145.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 1.11 108.248 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -124.32 -7.05 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 5.97 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.8 m -47.8 109.59 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 2.52 108.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -50.66 -58.72 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 3.48 110.435 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -50.29 -23.72 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 5.68 109.968 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.81 59.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 2.69 108.251 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.949 -1.5 . . . . 8.21 109.282 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 1.4 tmt? . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.502 0.191 . . . . 12.199999999999999 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 0.0 OUTLIER -83.02 -51.91 0.66 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 6.0800000000000001 109.249 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 2' ' ' ASP . 18.3 Cg_endo -75.0 -87.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 4.5899999999999999 111.007 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 1.5 m120 -154.46 25.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 4.4199999999999999 109.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 21' ' ' CYS . 10.5 t -143.03 112.16 6.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.5900000000000001 108.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 1' ' ' MET . 42.4 p -94.01 4.38 53.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 3.1699999999999999 110.008 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 63.0 m -74.51 58.98 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 2.71 108.249 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.35 -61.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 3.3199999999999998 109.277 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.47 -161.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 4.29 109.276 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' SER . . . -37.94 152.41 0.03 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.495 1.122 . . . . 5.1100000000000003 111.013 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.2 m-20 -38.91 98.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 6.0099999999999998 109.283 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 10' ' ' GLY . 79.4 p -142.21 18.95 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 8.0099999999999998 109.988 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.442 ' O ' ' SG ' ' A' ' 13' ' ' CYS . 1.2 t -94.27 83.66 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 2.5899999999999999 108.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.724 ' O ' HG22 ' A' ' 14' ' ' THR . 3.1 m -95.91 39.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 2.7200000000000002 110.417 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 16' ' ' ALA . 98.8 m -79.6 3.34 19.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 2.27 108.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 15' ' ' CYS . . . -45.5 -96.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 2.3599999999999999 109.335 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' ' 18' ' ' SER . . . -100.9 46.56 1.3 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 2.8300000000000001 110.979 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 17' ' ' GLY . 2.6 p 161.94 126.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 0.773 . . . . 2.9500000000000002 110.002 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 7.4 t -116.97 73.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 1.45 108.317 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -73.42 -10.99 60.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 6.9199999999999999 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 42.4 t -52.65 147.34 8.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 1.22 108.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' CD ' ' N ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -75.32 -100.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 4.5800000000000001 109.274 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' CB ' ' HB2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -83.22 49.58 1.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.155 . . . . 4.4199999999999999 110.302 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 26.8 t -42.23 145.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 1.1100000000000001 108.248 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -124.32 -7.05 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 5.9699999999999998 109.308 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.8 m -47.8 109.59 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 2.52 108.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.2 m -50.66 -58.72 5.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 3.48 110.435 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 58.7 m -50.29 -23.72 2.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 5.6799999999999997 109.968 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 49.8 t -106.81 59.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 2.6899999999999999 108.251 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.119 0 CA-C-O 116.949 -1.5 . . . . 8.2100000000000009 109.282 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_