data_1dme_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 1dme _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' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.496 1.643 0 N-CA-C 109.758 -0.901 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.72 128.03 8.92 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 36.9 Cg_endo -77.53 -134.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.374 2.049 . . . . 0.0 109.624 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 1.2 p -109.9 -59.69 1.89 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.414 -1.429 . . . . 0.0 110.149 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.583 ' CB ' ' CB ' ' A' ' 22' ' ' CYS . 85.3 m -87.37 59.59 5.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.408 -0.807 . . . . 0.0 111.55 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -88.75 -23.31 22.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -160.2 24.47 0.16 Allowed 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' CG ' ' O ' ' A' ' 8' ' ' LYS . 7.6 ptmt -160.24 119.02 2.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.161 -0.962 . . . . 0.0 111.61 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.552 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 21.7 t -85.35 105.35 15.94 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.669 ' HB ' ' CA ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -110.41 30.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 O-C-N 121.6 -0.688 . . . . 0.0 110.366 -176.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -86.95 -35.65 18.76 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 118.645 -1.222 . . . . 0.0 108.447 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.05 -21.44 1.84 Allowed 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -126.27 -100.82 0.37 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.414 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.07 31.49 0.35 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.669 ' CA ' ' HB ' ' A' ' 10' ' ' VAL . . . -90.83 -11.47 61.76 Favored Glycine 0 N--CA 1.489 2.212 0 C-N-CA 120.127 -1.035 . . . . 0.0 110.665 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 1.7 m -57.91 -165.81 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.901 -1.352 . . . . 0.0 110.573 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.54 ' N ' ' HB3' ' A' ' 4' ' ' CYS . 2.3 mmtp -152.55 -167.24 2.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.604 -0.685 . . . . 0.0 109.481 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.07 37.64 0.9 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.134 -0.979 . . . . 0.0 109.847 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' HB2' ' A' ' 3' ' ' PRO . . . -160.55 61.2 0.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 4.9 t -77.29 93.46 4.01 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.4 -1.059 . . . . 0.0 111.455 -178.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -80.34 -33.25 37.54 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.583 ' CB ' ' CB ' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -59.11 120.39 9.07 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 t -94.48 7.72 44.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.936 -1.102 . . . . 0.0 109.033 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.413 ' HB2' ' SG ' ' A' ' 22' ' ' CYS . 17.1 m -69.83 -18.33 63.44 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.582 -0.699 . . . . 0.0 110.947 -179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.522 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -102.09 -155.45 0.52 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -135.04 53.33 1.99 Allowed 'General case' 0 C--N 1.259 -3.36 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 178.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.493 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -57.98 -74.14 0.06 Allowed 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.159 -174.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 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 orig full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.496 1.643 0 N-CA-C 109.758 -0.901 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.72 128.03 8.92 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 36.9 Cg_endo -77.53 -134.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.374 2.049 . . . . 0.0 109.624 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 1.2 p -109.9 -59.69 1.89 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.414 -1.429 . . . . 0.0 110.149 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.646 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 85.3 m -87.37 59.59 5.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.408 -0.807 . . . . 0.0 111.55 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -88.75 -23.31 22.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -160.2 24.47 0.16 Allowed 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 7.6 ptmt -160.24 119.02 2.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.161 -0.962 . . . . 0.0 111.61 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.532 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 21.7 t -85.35 105.35 15.94 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -110.41 30.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 O-C-N 121.6 -0.688 . . . . 0.0 110.366 -176.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -86.95 -35.65 18.76 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 118.645 -1.222 . . . . 0.0 108.447 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.05 -21.44 1.84 Allowed 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -126.27 -100.82 0.37 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.414 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.07 31.49 0.35 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 10' ' ' VAL . . . -90.83 -11.47 61.76 Favored Glycine 0 N--CA 1.489 2.212 0 C-N-CA 120.127 -1.035 . . . . 0.0 110.665 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 1.7 m -57.91 -165.81 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.901 -1.352 . . . . 0.0 110.573 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' N ' ' HB3' ' A' ' 4' ' ' CYS . 2.3 mmtp -152.55 -167.24 2.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.604 -0.685 . . . . 0.0 109.481 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.07 37.64 0.9 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.134 -0.979 . . . . 0.0 109.847 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 3' ' ' PRO . . . -160.55 61.2 0.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 4.9 t -77.29 93.46 4.01 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.4 -1.059 . . . . 0.0 111.455 -178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -80.34 -33.25 37.54 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -59.11 120.39 9.07 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 t -94.48 7.72 44.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.936 -1.102 . . . . 0.0 109.033 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -69.83 -18.33 63.44 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.582 -0.699 . . . . 0.0 110.947 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.532 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -102.09 -155.45 0.52 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -135.04 53.33 1.99 Allowed 'General case' 0 C--N 1.259 -3.36 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 178.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -57.98 -74.14 0.06 Allowed 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.159 -174.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 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 build full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo . . . . . 0 N--CA 1.496 1.643 0 N-CA-C 109.758 -0.901 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -88.72 128.03 8.92 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.474 ' HB2' ' O ' ' A' ' 19' ' ' GLY . 36.9 Cg_endo -77.53 -134.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.409 0 C-N-CA 122.374 2.049 . . . . 0.0 109.624 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.65 ' HB2' ' HA ' ' A' ' 16' ' ' CYS . 1.2 p -109.9 -59.69 1.89 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.414 -1.429 . . . . 0.0 110.149 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.646 ' HB2' ' HB3' ' A' ' 22' ' ' CYS . 85.3 m -87.37 59.59 5.61 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.408 -0.807 . . . . 0.0 111.55 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -88.75 -23.31 22.95 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 105.406 -2.072 . . . . 0.0 105.406 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -160.2 24.47 0.16 Allowed 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.588 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 7.6 ptmt -160.24 119.02 2.68 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.161 -0.962 . . . . 0.0 111.61 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.532 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 21.7 t -85.35 105.35 15.94 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 105.226 -2.139 . . . . 0.0 105.226 175.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.69 ' HB ' ' CA ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -110.41 30.55 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 O-C-N 121.6 -0.688 . . . . 0.0 110.366 -176.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.532 ' SG ' ' HB2' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -86.95 -35.65 18.76 Favored 'General case' 0 C--N 1.294 -1.815 0 C-N-CA 118.645 -1.222 . . . . 0.0 108.447 -179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -51.05 -21.44 1.84 Allowed 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 120.134 -0.626 . . . . 0.0 109.854 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -126.27 -100.82 0.37 Allowed 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.414 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.07 31.49 0.35 Allowed Glycine 0 N--CA 1.49 2.289 0 N-CA-C 108.59 -1.804 . . . . 0.0 108.59 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.69 ' CA ' ' HB ' ' A' ' 10' ' ' VAL . . . -90.83 -11.47 61.76 Favored Glycine 0 N--CA 1.489 2.212 0 C-N-CA 120.127 -1.035 . . . . 0.0 110.665 -178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.65 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 1.7 m -57.91 -165.81 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.27 0 O-C-N 120.901 -1.352 . . . . 0.0 110.573 -178.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' N ' ' HB3' ' A' ' 4' ' ' CYS . 2.3 mmtp -152.55 -167.24 2.69 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.604 -0.685 . . . . 0.0 109.481 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.07 37.64 0.9 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.134 -0.979 . . . . 0.0 109.847 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.474 ' O ' ' HB2' ' A' ' 3' ' ' PRO . . . -160.55 61.2 0.3 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 27' ' ' CYS . 4.9 t -77.29 93.46 4.01 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.4 -1.059 . . . . 0.0 111.455 -178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' OE1' ' N ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -80.34 -33.25 37.54 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 1.0 OUTLIER -59.11 120.39 9.07 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.7 t -94.48 7.72 44.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.936 -1.102 . . . . 0.0 109.033 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.1 m -69.83 -18.33 63.44 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.582 -0.699 . . . . 0.0 110.947 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.532 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -102.09 -155.45 0.52 Allowed 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 178.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -135.04 53.33 1.99 Allowed 'General case' 0 C--N 1.259 -3.36 0 N-CA-C 104.577 -2.379 . . . . 0.0 104.577 178.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -57.98 -74.14 0.06 Allowed 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 114.338 -1.301 . . . . 0.0 109.159 -174.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.514 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_