data_1qbf_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 1qbf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' O ' HG13 ' A' ' 31' ' ' VAL . 39.5 Cg_endo -85.82 -169.99 0.65 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 123.794 2.996 . . . . 0.0 111.155 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.697 ' N ' ' CE1' ' A' ' 27' ' ' TYR . . . -83.42 -139.65 0.06 Allowed 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.365 0.602 . . . . 0.0 109.586 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.759 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.4 OUTLIER 79.26 28.28 0.02 OUTLIER Pre-proline 0 C--N 1.308 -1.237 0 O-C-N 121.697 -0.627 . . . . 0.0 110.883 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 36.6 Cg_endo -73.58 110.01 2.98 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 121.2 1.267 . . . . 0.0 109.455 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 14.1 pt-20 -53.16 -21.91 5.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.956 -1.09 . . . . 0.0 109.557 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.776 ' CB ' ' CE1' ' A' ' 20' ' ' TYR . . . 60.84 149.02 0.08 OUTLIER Pre-proline 0 C--N 1.288 -2.104 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.239 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -84.23 -92.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.666 2.244 . . . . 0.0 111.654 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 10' ' ' GLU . . . 85.62 166.92 42.72 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 164.99 -19.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.068 -1.254 . . . . 0.0 111.71 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 4.4 t0 -51.15 -40.09 57.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.675 -1.266 . . . . 0.0 109.299 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.65 ' CB ' ' HA ' ' A' ' 16' ' ' GLU . . . -117.04 -47.95 2.66 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.704 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 4.6 m -167.7 -144.58 0.0 OUTLIER Pre-proline 0 C--N 1.299 -1.618 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.704 ' CD ' ' CB ' ' A' ' 13' ' ' SER . 32.6 Cg_endo -76.58 7.13 3.62 Favored 'Trans proline' 0 C--N 1.322 -0.846 0 N-CA-C 108.503 -1.383 . . . . 0.0 108.503 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.679 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 3.9 pt-20 -121.65 -34.96 3.31 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.462 -0.773 . . . . 0.0 111.341 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.679 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 0.2 OUTLIER 52.42 -62.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 123.823 0.702 . . . . 0.0 111.413 -178.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.64 ' CD1' ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -126.67 51.89 1.8 Allowed 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.154 -0.966 . . . . 0.0 112.659 -178.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER 91.0 87.43 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.71 0 O-C-N 120.54 -1.35 . . . . 0.0 109.288 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.637 ' N ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 35.6 40.16 0.07 Allowed 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.096 -178.719 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.776 ' CE1' ' CB ' ' A' ' 7' ' ' ALA . 32.7 p90 42.96 28.36 0.13 Allowed 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 122.907 1.337 . . . . 0.0 107.713 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.633 ' CG ' ' N ' ' A' ' 22' ' ' ALA . 8.2 p90 -44.13 -36.73 2.74 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-O 123.332 1.539 . . . . 0.0 107.052 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.633 ' N ' ' CG ' ' A' ' 21' ' ' TYR . . . -59.68 -48.5 81.43 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.689 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.668 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 1.5 t -62.07 -22.95 66.19 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.311 -0.868 . . . . 0.0 110.06 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 26' ' ' HIS . 96.7 mt -34.83 -30.28 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.696 -0.627 . . . . 0.0 110.18 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -31.96 -53.74 0.28 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-O 121.693 0.758 . . . . 0.0 110.107 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.722 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -22.88 -59.2 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.338 0 CA-C-O 122.892 1.33 . . . . 0.0 110.549 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.697 ' CE1' ' N ' ' A' ' 3' ' ' ALA . 1.6 t80 -29.11 -87.84 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.295 -1.32 . . . . 0.0 113.94 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.637 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 2.2 mm? -89.59 27.56 1.47 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.396 -1.44 . . . . 0.0 111.33 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.573 ' ND2' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -135.21 9.02 3.47 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 175.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.722 ' HB3' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -135.86 -33.69 0.84 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.604 HG22 ' CE1' ' A' ' 27' ' ' TYR . 1.1 m -104.57 -24.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.534 1.159 . . . . 0.0 108.032 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.61 ' HB ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -40.5 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.463 -178.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.48 ' HG3' ' OG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER -124.71 -37.26 2.5 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.479 -1.388 . . . . 0.0 111.874 -177.257 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.602 ' OE1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -60.36 -10.81 5.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.658 -1.276 . . . . 0.0 109.801 -178.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' N ' ' OE1' ' A' ' 34' ' ' GLN . 0.7 OUTLIER 58.57 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.308 -0.87 . . . . 0.0 110.651 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB2' ' CE2' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -53.98 -68.47 0.18 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 O-C-N 120.365 -1.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.584 ' O ' HG11 ' A' ' 31' ' ' VAL . 39.5 Cg_endo -85.82 -169.99 0.65 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 123.794 2.996 . . . . 0.0 111.155 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -83.42 -139.65 0.06 Allowed 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.365 0.602 . . . . 0.0 109.586 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.759 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.4 OUTLIER 79.26 28.28 0.02 OUTLIER Pre-proline 0 C--N 1.308 -1.237 0 O-C-N 121.697 -0.627 . . . . 0.0 110.883 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 36.6 Cg_endo -73.58 110.01 2.98 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 121.2 1.267 . . . . 0.0 109.455 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 14.1 pt-20 -53.16 -21.91 5.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.956 -1.09 . . . . 0.0 109.557 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.776 ' CB ' ' CE1' ' A' ' 20' ' ' TYR . . . 60.84 149.02 0.08 OUTLIER Pre-proline 0 C--N 1.288 -2.104 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.239 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 39.0 Cg_endo -84.23 -92.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.666 2.244 . . . . 0.0 111.654 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 10' ' ' GLU . . . 85.62 166.92 42.72 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 164.99 -19.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.068 -1.254 . . . . 0.0 111.71 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 4.4 t0 -51.15 -40.09 57.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.675 -1.266 . . . . 0.0 109.299 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.759 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . . . -117.04 -47.95 2.66 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.704 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 4.6 m -167.7 -144.58 0.0 OUTLIER Pre-proline 0 C--N 1.299 -1.618 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.704 ' CD ' ' CB ' ' A' ' 13' ' ' SER . 32.6 Cg_endo -76.58 7.13 3.62 Favored 'Trans proline' 0 C--N 1.322 -0.846 0 N-CA-C 108.503 -1.383 . . . . 0.0 108.503 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.714 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 3.9 pt-20 -121.65 -34.96 3.31 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.462 -0.773 . . . . 0.0 111.341 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.759 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 52.42 -62.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 123.823 0.702 . . . . 0.0 111.413 -178.015 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.924 HD13 ' N ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -126.67 51.89 1.8 Allowed 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.154 -0.966 . . . . 0.0 112.659 -178.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER 91.0 87.43 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.71 0 O-C-N 120.54 -1.35 . . . . 0.0 109.288 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.678 ' N ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 35.6 40.16 0.07 Allowed 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.096 -178.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.776 ' CE1' ' CB ' ' A' ' 7' ' ' ALA . 32.7 p90 42.96 28.36 0.13 Allowed 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 122.907 1.337 . . . . 0.0 107.713 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.633 ' CG ' ' N ' ' A' ' 22' ' ' ALA . 8.2 p90 -44.13 -36.73 2.74 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-O 123.332 1.539 . . . . 0.0 107.052 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.633 ' N ' ' CG ' ' A' ' 21' ' ' TYR . . . -59.68 -48.5 81.43 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.689 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.684 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 1.5 t -62.07 -22.95 66.19 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.311 -0.868 . . . . 0.0 110.06 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 ' HA ' ' CE1' ' A' ' 26' ' ' HIS . 96.7 mt -34.83 -30.28 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.696 -0.627 . . . . 0.0 110.18 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -31.96 -53.74 0.28 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-O 121.693 0.758 . . . . 0.0 110.107 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.757 ' CE1' ' HA ' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -22.88 -59.2 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.338 0 CA-C-O 122.892 1.33 . . . . 0.0 110.549 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.856 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.6 t80 -29.11 -87.84 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.295 -1.32 . . . . 0.0 113.94 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.637 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 2.2 mm? -89.59 27.56 1.47 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.396 -1.44 . . . . 0.0 111.33 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.702 ' HA ' HG21 ' A' ' 32' ' ' THR . 0.2 OUTLIER -135.21 9.02 3.47 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 175.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.752 ' O ' ' NE2' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -135.86 -33.69 0.84 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 27' ' ' TYR . 1.1 m -104.57 -24.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.534 1.159 . . . . 0.0 108.032 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.702 HG21 ' HA ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -40.5 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.463 -178.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' H ' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -124.71 -37.26 2.5 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.479 -1.388 . . . . 0.0 111.874 -177.257 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.752 ' NE2' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -60.36 -10.81 5.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.658 -1.276 . . . . 0.0 109.801 -178.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.707 ' N ' ' NE2' ' A' ' 34' ' ' GLN . 0.7 OUTLIER 58.57 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.308 -0.87 . . . . 0.0 110.651 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.59 ' HB2' ' CE2' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -53.98 -68.47 0.18 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 O-C-N 120.365 -1.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.59 ' CE2' ' HB2' ' A' ' 36' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.584 ' O ' HG11 ' A' ' 31' ' ' VAL . 39.5 Cg_endo -85.82 -169.99 0.65 Allowed 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 123.794 2.996 . . . . 0.0 111.155 -178.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.833 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . . . -83.42 -139.65 0.06 Allowed 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 121.365 0.602 . . . . 0.0 109.586 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.759 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.4 OUTLIER 79.26 28.28 0.02 OUTLIER Pre-proline 0 C--N 1.308 -1.237 0 O-C-N 121.697 -0.627 . . . . 0.0 110.883 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 4' ' ' LYS . 36.6 Cg_endo -73.58 110.01 2.98 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 121.2 1.267 . . . . 0.0 109.455 178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 14.1 pt-20 -53.16 -21.91 5.72 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 120.956 -1.09 . . . . 0.0 109.557 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.776 ' CB ' ' CE1' ' A' ' 20' ' ' TYR . . . 60.84 149.02 0.08 OUTLIER Pre-proline 0 C--N 1.288 -2.104 0 C-N-CA 119.533 -0.867 . . . . 0.0 111.239 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.492 ' HD3' ' HA ' ' A' ' 7' ' ' ALA . 39.0 Cg_endo -84.23 -92.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.666 2.244 . . . . 0.0 111.654 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.523 ' O ' ' CB ' ' A' ' 10' ' ' GLU . . . 85.62 166.92 42.72 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' GLY . 0.2 OUTLIER 164.99 -19.56 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.068 -1.254 . . . . 0.0 111.71 179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 4.4 t0 -51.15 -40.09 57.8 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.675 -1.266 . . . . 0.0 109.299 -179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.759 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . . . -117.04 -47.95 2.66 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 179.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.704 ' CB ' ' CD ' ' A' ' 14' ' ' PRO . 4.6 m -167.7 -144.58 0.0 OUTLIER Pre-proline 0 C--N 1.299 -1.618 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.704 ' CD ' ' CB ' ' A' ' 13' ' ' SER . 32.6 Cg_endo -76.58 7.13 3.62 Favored 'Trans proline' 0 C--N 1.322 -0.846 0 N-CA-C 108.503 -1.383 . . . . 0.0 108.503 177.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.714 ' O ' ' HG3' ' A' ' 16' ' ' GLU . 3.9 pt-20 -121.65 -34.96 3.31 Favored 'General case' 0 C--O 1.198 -1.654 0 O-C-N 121.462 -0.773 . . . . 0.0 111.341 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.759 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 52.42 -62.95 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.575 0 O-C-N 123.823 0.702 . . . . 0.0 111.413 -178.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.924 ' N ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -126.67 51.89 1.8 Allowed 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.154 -0.966 . . . . 0.0 112.659 -178.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.594 ' CB ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER 91.0 87.43 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.71 0 O-C-N 120.54 -1.35 . . . . 0.0 109.288 179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.678 ' N ' ' HB2' ' A' ' 15' ' ' GLU . 0.0 OUTLIER 35.6 40.16 0.07 Allowed 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.096 -178.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.776 ' CE1' ' CB ' ' A' ' 7' ' ' ALA . 32.7 p90 42.96 28.36 0.13 Allowed 'General case' 0 C--O 1.203 -1.355 0 CA-C-O 122.907 1.337 . . . . 0.0 107.713 -178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.633 ' CG ' ' N ' ' A' ' 22' ' ' ALA . 8.2 p90 -44.13 -36.73 2.74 Favored 'General case' 0 C--N 1.283 -2.314 0 CA-C-O 123.332 1.539 . . . . 0.0 107.052 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.633 ' N ' ' CG ' ' A' ' 21' ' ' TYR . . . -59.68 -48.5 81.43 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.689 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.668 ' O ' ' CE1' ' A' ' 26' ' ' HIS . 1.5 t -62.07 -22.95 66.19 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.311 -0.868 . . . . 0.0 110.06 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.602 ' CD1' ' HA ' ' A' ' 21' ' ' TYR . 96.7 mt -34.83 -30.28 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.696 -0.627 . . . . 0.0 110.18 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.593 ' CD ' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -31.96 -53.74 0.28 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-O 121.693 0.758 . . . . 0.0 110.107 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.726 ' O ' ' HB3' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -22.88 -59.2 0.04 OUTLIER 'General case' 0 N--CA 1.506 2.338 0 CA-C-O 122.892 1.33 . . . . 0.0 110.549 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.856 ' O ' HG22 ' A' ' 31' ' ' VAL . 1.6 t80 -29.11 -87.84 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.519 0 CA-C-N 114.295 -1.32 . . . . 0.0 113.94 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.637 ' CD2' ' CE1' ' A' ' 27' ' ' TYR . 2.2 mm? -89.59 27.56 1.47 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 120.396 -1.44 . . . . 0.0 111.33 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.702 ' HA ' HG21 ' A' ' 32' ' ' THR . 0.0 OUTLIER -135.21 9.02 3.47 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 175.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.726 ' HB3' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -135.86 -33.69 0.84 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 178.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 27' ' ' TYR . 1.1 m -104.57 -24.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.395 0 CA-C-O 122.534 1.159 . . . . 0.0 108.032 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.702 HG21 ' HA ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -40.5 -89.04 0.0 OUTLIER 'General case' 0 C--N 1.295 -1.767 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.463 -178.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' H ' HG23 ' A' ' 32' ' ' THR . 0.1 OUTLIER -124.71 -37.26 2.5 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.479 -1.388 . . . . 0.0 111.874 -177.257 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.602 ' OE1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -60.36 -10.81 5.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 120.658 -1.276 . . . . 0.0 109.801 -178.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' N ' ' OE1' ' A' ' 34' ' ' GLN . 0.7 OUTLIER 58.57 156.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.308 -0.87 . . . . 0.0 110.651 178.712 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.59 ' HB2' ' CE2' ' A' ' 1' ' ' TYR . 0.5 OUTLIER -53.98 -68.47 0.18 Allowed 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 179.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 O-C-N 120.365 -1.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_