data_1dmc_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 1dmc _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 ' 1' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.4 m . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.618 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 18.8 Cg_endo -72.56 142.79 37.01 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.737 2.958 . . . . 0.0 114.152 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -66.7 -166.38 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 113.286 -1.779 . . . . 0.0 112.066 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 6.4 tt0 -83.49 20.13 1.43 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.233 0.539 . . . . 0.0 111.528 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -149.01 13.77 0.89 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.471 -1.393 . . . . 0.0 109.703 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.63 -20.94 11.51 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.773 -0.579 . . . . 0.0 110.945 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m -49.47 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.126 -0.984 . . . . 0.0 109.942 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 t -89.23 27.43 1.41 Allowed 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.48 46.43 0.63 Allowed Glycine 0 N--CA 1.49 2.244 0 C-N-CA 118.403 -1.856 . . . . 0.0 112.401 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 t -70.07 90.0 0.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.268 -1.724 . . . . 0.0 107.204 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -83.47 7.71 16.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.392 -0.818 . . . . 0.0 110.803 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 1.4 m -87.36 117.39 26.1 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.865 -1.147 . . . . 0.0 109.748 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.66 -27.06 10.55 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.4 m -137.02 160.85 37.72 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 7.7 mttp -65.93 -8.52 22.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.696 -1.253 . . . . 0.0 109.455 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -29.1 63.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.072 . . . . 0.0 108.138 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -36.02 9.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.466 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 43.2 t -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.876 0.846 . . . . 0.0 110.222 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 t -73.95 -2.75 25.35 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -35.62 11.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.475 -0.766 . . . . 0.0 110.181 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 HG22 ' SG ' ' A' ' 22' ' ' CYS . 8.3 t -102.39 -24.4 13.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.923 -1.111 . . . . 0.0 109.727 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.463 ' SG ' HG22 ' A' ' 21' ' ' THR . 3.2 m -123.33 -172.42 2.51 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 121.852 0.834 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m -123.09 -11.09 8.08 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.716 0.769 . . . . 0.0 109.205 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.529 ' HB3' ' HD2' ' A' ' 25' ' ' PRO . 2.5 mtpt -160.41 177.47 2.04 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' O ' ' O ' ' A' ' 26' ' ' CYS . 32.0 Cg_endo -74.19 92.61 0.91 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 122.854 2.37 . . . . 0.0 110.748 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.618 ' SG ' ' HA ' ' A' ' 2' ' ' PRO . 68.6 m -51.09 -163.7 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.533 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 13.2 p -82.44 23.33 0.77 Allowed 'General case' 0 C--N 1.292 -1.901 0 O-C-N 119.886 -1.759 . . . . 0.0 108.957 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.613 ' SG ' ' HB3' ' A' ' 2' ' ' PRO . 1.3 p -150.81 -24.52 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 118.229 -1.389 . . . . 0.0 112.117 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.744 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 3.0 m -61.83 -154.56 0.0 OUTLIER Pre-proline 0 C--N 1.301 -1.53 0 O-C-N 120.554 -1.341 . . . . 0.0 108.31 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.744 ' HD2' ' CB ' ' A' ' 29' ' ' CYS . 34.9 Cg_endo -70.7 177.05 6.65 Favored 'Trans proline' 0 N--CA 1.48 0.684 0 C-N-CA 120.918 1.079 . . . . 0.0 111.189 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.295 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.4 m . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.642 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 18.8 Cg_endo -72.56 142.79 37.01 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.737 2.958 . . . . 0.0 114.152 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -66.7 -166.38 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 113.286 -1.779 . . . . 0.0 112.066 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 6.4 tt0 -83.49 20.13 1.43 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.233 0.539 . . . . 0.0 111.528 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -149.01 13.77 0.89 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.471 -1.393 . . . . 0.0 109.703 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.63 -20.94 11.51 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.773 -0.579 . . . . 0.0 110.945 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 8' ' ' SER . 23.6 m -49.47 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.126 -0.984 . . . . 0.0 109.942 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.541 ' N ' HG22 ' A' ' 7' ' ' THR . 1.3 t -89.23 27.43 1.41 Allowed 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.48 46.43 0.63 Allowed Glycine 0 N--CA 1.49 2.244 0 C-N-CA 118.403 -1.856 . . . . 0.0 112.401 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 t -70.07 90.0 0.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.268 -1.724 . . . . 0.0 107.204 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -83.47 7.71 16.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.392 -0.818 . . . . 0.0 110.803 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 1.4 m -87.36 117.39 26.1 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.865 -1.147 . . . . 0.0 109.748 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.66 -27.06 10.55 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.4 m -137.02 160.85 37.72 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 7.7 mttp -65.93 -8.52 22.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.696 -1.253 . . . . 0.0 109.455 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -29.1 63.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.072 . . . . 0.0 108.138 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -36.02 9.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 43.2 t -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.876 0.846 . . . . 0.0 110.222 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 t -73.95 -2.75 25.35 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -35.62 11.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.475 -0.766 . . . . 0.0 110.181 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.962 HG23 ' SG ' ' A' ' 22' ' ' CYS . 8.3 t -102.39 -24.4 13.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.923 -1.111 . . . . 0.0 109.727 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.962 ' SG ' HG23 ' A' ' 21' ' ' THR . 3.2 m -123.33 -172.42 2.51 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 121.852 0.834 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m -123.09 -11.09 8.08 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.716 0.769 . . . . 0.0 109.205 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' CB ' ' HD2' ' A' ' 25' ' ' PRO . 2.5 mtpt -160.41 177.47 2.04 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' O ' ' O ' ' A' ' 26' ' ' CYS . 32.0 Cg_endo -74.19 92.61 0.91 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 122.854 2.37 . . . . 0.0 110.748 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HA ' ' A' ' 2' ' ' PRO . 68.6 m -51.09 -163.7 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 13.2 p -82.44 23.33 0.77 Allowed 'General case' 0 C--N 1.292 -1.901 0 O-C-N 119.886 -1.759 . . . . 0.0 108.957 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 2' ' ' PRO . 1.3 p -150.81 -24.52 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 118.229 -1.389 . . . . 0.0 112.117 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.799 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 3.0 m -61.83 -154.56 0.0 OUTLIER Pre-proline 0 C--N 1.301 -1.53 0 O-C-N 120.554 -1.341 . . . . 0.0 108.31 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.799 ' HD2' ' CB ' ' A' ' 29' ' ' CYS . 34.9 Cg_endo -70.7 177.05 6.65 Favored 'Trans proline' 0 N--CA 1.48 0.684 0 C-N-CA 120.918 1.079 . . . . 0.0 111.189 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.295 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.466 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.4 m . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.642 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 18.8 Cg_endo -72.56 142.79 37.01 Favored 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.737 2.958 . . . . 0.0 114.152 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.4 p -66.7 -166.38 0.04 OUTLIER 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 113.286 -1.779 . . . . 0.0 112.066 -176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 4' ' ' GLN . 6.4 tt0 -83.49 20.13 1.43 Allowed 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.233 0.539 . . . . 0.0 111.528 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -149.01 13.77 0.89 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.471 -1.393 . . . . 0.0 109.703 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.63 -20.94 11.51 Favored 'General case' 0 C--N 1.29 -2.011 0 O-C-N 121.773 -0.579 . . . . 0.0 110.945 -177.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.541 HG22 ' N ' ' A' ' 8' ' ' SER . 23.6 m -49.47 -88.94 0.0 OUTLIER 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.126 -0.984 . . . . 0.0 109.942 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.541 ' N ' HG22 ' A' ' 7' ' ' THR . 1.3 t -89.23 27.43 1.41 Allowed 'General case' 0 C--N 1.291 -1.959 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.48 46.43 0.63 Allowed Glycine 0 N--CA 1.49 2.244 0 C-N-CA 118.403 -1.856 . . . . 0.0 112.401 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.3 t -70.07 90.0 0.64 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.268 -1.724 . . . . 0.0 107.204 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -83.47 7.71 16.14 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.392 -0.818 . . . . 0.0 110.803 -178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 1.4 m -87.36 117.39 26.1 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.865 -1.147 . . . . 0.0 109.748 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -107.66 -27.06 10.55 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.4 m -137.02 160.85 37.72 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' HA ' ' HB3' ' A' ' 18' ' ' CYS . 7.7 mttp -65.93 -8.52 22.94 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.696 -1.253 . . . . 0.0 109.455 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.43 -29.1 63.41 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.984 -1.072 . . . . 0.0 108.138 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.95 -36.02 9.88 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 12' ' ' CYS . 43.2 t -63.68 -41.59 98.13 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.876 0.846 . . . . 0.0 110.222 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 t -73.95 -2.75 25.35 Favored 'General case' 0 C--N 1.291 -1.943 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 -35.62 11.1 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.475 -0.766 . . . . 0.0 110.181 -179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.962 HG23 ' SG ' ' A' ' 22' ' ' CYS . 8.3 t -102.39 -24.4 13.85 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.923 -1.111 . . . . 0.0 109.727 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.962 ' SG ' HG23 ' A' ' 21' ' ' THR . 3.2 m -123.33 -172.42 2.51 Favored 'General case' 0 C--N 1.288 -2.068 0 CA-C-O 121.852 0.834 . . . . 0.0 110.204 -179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.3 m -123.09 -11.09 8.08 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 121.716 0.769 . . . . 0.0 109.205 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.547 ' CB ' ' HD2' ' A' ' 25' ' ' PRO . 2.5 mtpt -160.41 177.47 2.04 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' O ' ' O ' ' A' ' 26' ' ' CYS . 32.0 Cg_endo -74.19 92.61 0.91 Allowed 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 122.854 2.37 . . . . 0.0 110.748 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HA ' ' A' ' 2' ' ' PRO . 68.6 m -51.09 -163.7 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.536 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 13.2 p -82.44 23.33 0.77 Allowed 'General case' 0 C--N 1.292 -1.901 0 O-C-N 119.886 -1.759 . . . . 0.0 108.957 178.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.642 ' SG ' ' HB3' ' A' ' 2' ' ' PRO . 1.3 p -150.81 -24.52 0.22 Allowed 'General case' 0 N--CA 1.499 2.011 0 C-N-CA 118.229 -1.389 . . . . 0.0 112.117 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.799 ' CB ' ' HD2' ' A' ' 30' ' ' PRO . 3.0 m -61.83 -154.56 0.0 OUTLIER Pre-proline 0 C--N 1.301 -1.53 0 O-C-N 120.554 -1.341 . . . . 0.0 108.31 -179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.799 ' HD2' ' CB ' ' A' ' 29' ' ' CYS . 34.9 Cg_endo -70.7 177.05 6.65 Favored 'Trans proline' 0 N--CA 1.48 0.684 0 C-N-CA 120.918 1.079 . . . . 0.0 111.189 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.295 -179.733 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_