data_1ju8_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 1ju8 _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.163 -0.68 . . . . 3.6099999999999999 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -89.89 0.36 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.611 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.565 ' CB ' ' HB3' ' A' ' 34' ' ' HIS . 3.1 t -105.2 96.37 6.48 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.196 -0.94 . . . . 0.76000000000000001 109.824 -179.508 -153.407 148.606 31.897 104.245 2.018 102.169 142.98 91.648 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.474 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 91.4 m-20 -150.88 -173.12 4.39 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.824 -0.806 . . . . 2.2400000000000002 108.824 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.35 -150.23 31.51 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 119.572 -1.299 . . . . 1.1499999999999999 110.042 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' HA ' ' HA ' ' A' ' 31' ' ' PHE . . . -92.77 142.75 27.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.892 -0.77 . . . . 1.4099999999999999 109.33 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.555 ' CB ' ' SG ' ' A' ' 32' ' ' CYS . 15.6 p -112.49 144.83 41.29 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.758 -1.214 . . . . 0.98999999999999999 110.476 -179.898 73.59 111.778 42.336 104.385 2.02 105.286 55.212 157.732 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.529 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -121.45 145.82 43.54 Favored Pre-proline 0 N--CA 1.484 1.246 0 O-C-N 121.391 -0.818 . . . . 1.1699999999999999 111.081 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' CD ' ' H ' ' A' ' 10' ' ' PHE . 56.3 Cg_endo -87.49 -49.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.971 2.447 . . . . 1.02 105.776 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.458 ' H ' ' CD ' ' A' ' 9' ' ' PRO . 21.7 m-85 -45.67 -28.16 0.94 Allowed 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.333 -1.358 . . . . 1.05 107.333 176.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.529 ' HB3' ' CB ' ' A' ' 8' ' ' SER . 2.8 tp10 -96.11 151.86 19.08 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.306 -0.861 . . . . 1.3200000000000001 110.564 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 11' ' ' GLU . 5.6 t -160.62 118.63 1.5 Allowed Pre-proline 0 N--CA 1.493 1.681 0 N-CA-C 108.765 -0.828 . . . . 1.48 108.765 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 12' ' ' VAL . 45.3 Cg_endo -64.53 153.27 75.1 Favored 'Cis proline' 0 C--N 1.313 -1.299 0 C-N-CA 123.642 -1.399 . . . . 0.72999999999999998 109.92 0.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.524 ' HA ' ' HG3' ' A' ' 11' ' ' GLU . 52.3 Cg_endo -66.19 -16.7 52.87 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.413 2.075 . . . . 0.82999999999999996 111.072 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 7.6 m -141.19 -46.78 0.39 Allowed 'General case' 0 C--N 1.293 -1.866 0 C-N-CA 119.015 -1.074 . . . . 1.53 109.991 -178.038 -43.592 -84.244 -85.141 103.394 2.011 103.841 -92.304 -78.375 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER 149.29 -20.31 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 114.499 -1.228 . . . . 4.0999999999999996 109.911 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.499 ' OG ' ' HB3' ' A' ' 20' ' ' CYS . 34.0 p -118.63 125.86 50.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.591 -1.318 . . . . 1.6699999999999999 110.546 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -68.24 -34.34 76.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.549 -0.719 . . . . 4.3099999999999996 109.575 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -65.18 -16.6 63.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 1.4299999999999999 109.126 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -96.84 172.92 7.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.556 -0.905 . . . . 0.5 108.556 -179.938 91.648 142.98 31.897 102.169 2.018 104.245 148.606 -153.407 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' O ' HD11 ' A' ' 33' ' ' ILE . 11.3 ptt180 -140.48 152.68 45.81 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.615 -1.303 . . . . 3.4100000000000001 111.64 -179.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 14' ' ' PRO . 1.1 t -90.69 130.08 36.72 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.115 -1.068 . . . . 1.03 108.115 178.986 157.732 55.212 42.336 105.286 2.02 104.385 111.778 73.59 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG21 HD11 ' A' ' 33' ' ' ILE . 21.7 t -112.58 89.09 12.21 Favored Pre-proline 0 C--N 1.301 -1.526 0 O-C-N 121.146 -0.971 . . . . 1.1699999999999999 109.209 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.557 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 54.7 Cg_endo -76.19 109.12 2.82 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.084 1.856 . . . . 0.57999999999999996 109.73 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.438 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 0.9 OUTLIER -123.79 -35.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.286 -1.005 . . . . 2.2599999999999998 108.286 179.23 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -65.93 121.94 20.47 Favored Glycine 0 C--N 1.283 -2.413 0 N-CA-C 106.379 -2.688 . . . . 2.48 106.379 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 26' ' ' GLY . 7.5 mt -43.82 -24.09 0.11 Allowed 'General case' 0 C--N 1.269 -2.899 0 N-CA-C 108.13 -1.063 . . . . 3.4900000000000002 108.13 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' GLY . 46.8 m-85 -117.9 -13.48 10.08 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 121.536 -0.728 . . . . 4.7599999999999998 110.866 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 30' ' ' GLY . 8.9 p -141.15 164.57 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.161 -1.587 . . . . 2.0499999999999998 112.088 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.557 ' CA ' ' HA ' ' A' ' 24' ' ' PRO . . . -133.25 -179.12 16.04 Favored Glycine 0 N--CA 1.477 1.391 0 N-CA-C 106.783 -2.527 . . . . 0.44 106.783 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.55 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 51.7 m-85 -143.96 143.07 31.07 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.932 -1.334 . . . . 0.64000000000000001 110.472 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.555 ' SG ' ' CB ' ' A' ' 7' ' ' CYS . 33.2 m -85.91 150.1 24.75 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 121.748 0.785 . . . . 0.75 110.68 -177.976 -78.375 -92.304 -85.141 103.841 2.011 103.394 -84.244 -43.592 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -150.07 150.06 13.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.975 -0.75 . . . . 1.21 108.975 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 1.6 p80 -126.83 88.9 53.41 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.154 -0.684 . . . . 1.24 109.154 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 49.1 Cg_endo -69.27 176.16 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.327 2.018 . . . . 0.82999999999999996 109.632 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 151.43 27.05 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.926 -0.71 . . . . 2.7000000000000002 109.468 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 118.021 -1.433 . . . . 3.0099999999999998 109.526 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.163 -0.68 . . . . 3.2400000000000002 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -89.89 0.36 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.611 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 34' ' ' HIS . 3.1 t -105.2 96.37 6.48 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.196 -0.94 . . . . 0.76000000000000001 109.824 -179.508 -153.407 148.606 31.897 104.245 2.018 102.169 142.98 91.648 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 91.4 m-20 -150.88 -173.12 4.39 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.824 -0.806 . . . . 1.8999999999999999 108.824 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.35 -150.23 31.51 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 119.572 -1.299 . . . . 0.93999999999999995 110.042 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' PHE . . . -92.77 142.75 27.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.892 -0.77 . . . . 0.65000000000000002 109.33 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.555 ' CB ' ' SG ' ' A' ' 32' ' ' CYS . 15.6 p -112.49 144.83 41.29 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.758 -1.214 . . . . 0.93999999999999995 110.476 -179.898 73.59 111.778 42.336 104.385 2.02 105.286 55.212 157.732 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.546 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -121.45 145.82 43.54 Favored Pre-proline 0 N--CA 1.484 1.246 0 O-C-N 121.391 -0.818 . . . . 0.70999999999999996 111.081 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 56.3 Cg_endo -87.49 -49.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.971 2.447 . . . . 0.91000000000000003 105.776 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' H ' ' CD ' ' A' ' 9' ' ' PRO . 21.7 m-85 -45.67 -28.16 0.94 Allowed 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.333 -1.358 . . . . 0.91000000000000003 107.333 176.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 8' ' ' SER . 2.8 tp10 -96.11 151.86 19.08 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.306 -0.861 . . . . 1.3200000000000001 110.564 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' C ' ' A' ' 11' ' ' GLU . 5.6 t -160.62 118.63 1.5 Allowed Pre-proline 0 N--CA 1.493 1.681 0 N-CA-C 108.765 -0.828 . . . . 0.84999999999999998 108.765 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 12' ' ' VAL . 45.3 Cg_endo -64.53 153.27 75.1 Favored 'Cis proline' 0 C--N 1.313 -1.299 0 C-N-CA 123.642 -1.399 . . . . 0.64000000000000001 109.92 0.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 52.3 Cg_endo -66.19 -16.7 52.87 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.413 2.075 . . . . 0.65000000000000002 111.072 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 7.6 m -141.19 -46.78 0.39 Allowed 'General case' 0 C--N 1.293 -1.866 0 C-N-CA 119.015 -1.074 . . . . 1.53 109.991 -178.038 -43.592 -84.244 -85.141 103.394 2.011 103.841 -92.304 -78.375 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER 149.29 -20.31 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 114.499 -1.228 . . . . 3.48 109.911 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 20' ' ' CYS . 34.0 p -118.63 125.86 50.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.591 -1.318 . . . . 1.1399999999999999 110.546 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -68.24 -34.34 76.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.549 -0.719 . . . . 3.6899999999999999 109.575 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -65.18 -16.6 63.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 1.4299999999999999 109.126 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -96.84 172.92 7.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.556 -0.905 . . . . 0.5 108.556 -179.938 91.648 142.98 31.897 102.169 2.018 104.245 148.606 -153.407 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -140.48 152.68 45.81 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.615 -1.303 . . . . 2.8700000000000001 111.64 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.562 ' HB2' ' HB2' ' A' ' 14' ' ' PRO . 1.1 t -90.69 130.08 36.72 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.115 -1.068 . . . . 1.03 108.115 178.986 157.732 55.212 42.336 105.286 2.02 104.385 111.778 73.59 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.701 HG23 HD11 ' A' ' 33' ' ' ILE . 21.7 t -112.58 89.09 12.21 Favored Pre-proline 0 C--N 1.301 -1.526 0 O-C-N 121.146 -0.971 . . . . 0.44 109.209 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.533 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 54.7 Cg_endo -76.19 109.12 2.82 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.084 1.856 . . . . 0.48999999999999999 109.73 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.594 ' CG2' HG12 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -123.79 -35.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.286 -1.005 . . . . 1.77 108.286 179.23 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -65.93 121.94 20.47 Favored Glycine 0 C--N 1.283 -2.413 0 N-CA-C 106.379 -2.688 . . . . 1.71 106.379 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 26' ' ' GLY . 7.5 mt -43.82 -24.09 0.11 Allowed 'General case' 0 C--N 1.269 -2.899 0 N-CA-C 108.13 -1.063 . . . . 3.0800000000000001 108.13 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' GLY . 46.8 m-85 -117.9 -13.48 10.08 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 121.536 -0.728 . . . . 4.1100000000000003 110.866 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.653 HG22 ' N ' ' A' ' 30' ' ' GLY . 8.9 p -141.15 164.57 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.161 -1.587 . . . . 1.49 112.088 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.653 ' N ' HG22 ' A' ' 29' ' ' VAL . . . -133.25 -179.12 16.04 Favored Glycine 0 N--CA 1.477 1.391 0 N-CA-C 106.783 -2.527 . . . . 0.40999999999999998 106.783 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 51.7 m-85 -143.96 143.07 31.07 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.932 -1.334 . . . . 0.53000000000000003 110.472 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.555 ' SG ' ' CB ' ' A' ' 7' ' ' CYS . 33.2 m -85.91 150.1 24.75 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 121.748 0.785 . . . . 0.75 110.68 -177.976 -78.375 -92.304 -85.141 103.841 2.011 103.394 -84.244 -43.592 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.701 HD11 HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -150.07 150.06 13.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.975 -0.75 . . . . 0.48999999999999999 108.975 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 1.6 p80 -126.83 88.9 53.41 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.154 -0.684 . . . . 0.97999999999999998 109.154 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 49.1 Cg_endo -69.27 176.16 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.327 2.018 . . . . 0.71999999999999997 109.632 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 151.43 27.05 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.926 -0.71 . . . . 2.1699999999999999 109.468 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 118.021 -1.433 . . . . 3.0099999999999998 109.526 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.163 -0.68 . . . . 3.2400000000000002 109.163 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.26 -89.89 0.36 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.124 -0.985 . . . . 2.0899999999999999 109.611 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 34' ' ' HIS . 3.1 t -105.2 96.37 6.48 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.196 -0.94 . . . . 0.76000000000000001 109.824 -179.508 -153.407 148.606 31.897 104.245 2.018 102.169 142.98 91.648 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 32' ' ' CYS . 91.4 m-20 -150.88 -173.12 4.39 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 108.824 -0.806 . . . . 1.8999999999999999 108.824 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 80.35 -150.23 31.51 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 119.572 -1.299 . . . . 0.93999999999999995 110.042 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 31' ' ' PHE . . . -92.77 142.75 27.0 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.892 -0.77 . . . . 0.65000000000000002 109.33 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.555 ' CB ' ' SG ' ' A' ' 32' ' ' CYS . 15.6 p -112.49 144.83 41.29 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.758 -1.214 . . . . 0.93999999999999995 110.476 -179.898 73.59 111.778 42.336 104.385 2.02 105.286 55.212 157.732 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.546 ' CB ' ' HB3' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -121.45 145.82 43.54 Favored Pre-proline 0 N--CA 1.484 1.246 0 O-C-N 121.391 -0.818 . . . . 0.70999999999999996 111.081 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' SER . 56.3 Cg_endo -87.49 -49.91 0.03 OUTLIER 'Trans proline' 0 N--CA 1.437 -1.795 0 C-N-CA 122.971 2.447 . . . . 0.91000000000000003 105.776 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' H ' ' CD ' ' A' ' 9' ' ' PRO . 21.7 m-85 -45.67 -28.16 0.94 Allowed 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.333 -1.358 . . . . 0.91000000000000003 107.333 176.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.546 ' HB3' ' CB ' ' A' ' 8' ' ' SER . 2.8 tp10 -96.11 151.86 19.08 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 115.306 -0.861 . . . . 1.3200000000000001 110.564 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 ' C ' ' A' ' 11' ' ' GLU . 5.6 t -160.62 118.63 1.5 Allowed Pre-proline 0 N--CA 1.493 1.681 0 N-CA-C 108.765 -0.828 . . . . 0.84999999999999998 108.765 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.484 ' C ' ' HA ' ' A' ' 12' ' ' VAL . 45.3 Cg_endo -64.53 153.27 75.1 Favored 'Cis proline' 0 C--N 1.313 -1.299 0 C-N-CA 123.642 -1.399 . . . . 0.64000000000000001 109.92 0.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.562 ' HB2' ' HB2' ' A' ' 22' ' ' CYS . 52.3 Cg_endo -66.19 -16.7 52.87 Favored 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.413 2.075 . . . . 0.65000000000000002 111.072 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.625 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 7.6 m -141.19 -46.78 0.39 Allowed 'General case' 0 C--N 1.293 -1.866 0 C-N-CA 119.015 -1.074 . . . . 1.53 109.991 -178.038 -43.592 -84.244 -85.141 103.394 2.011 103.841 -92.304 -78.375 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.625 ' CB ' ' O ' ' A' ' 15' ' ' CYS . 1.0 OUTLIER 149.29 -20.31 0.0 OUTLIER 'General case' 0 C--N 1.281 -2.37 0 CA-C-N 114.499 -1.228 . . . . 3.48 109.911 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.501 ' OG ' ' HB3' ' A' ' 20' ' ' CYS . 34.0 p -118.63 125.86 50.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.591 -1.318 . . . . 1.1399999999999999 110.546 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -68.24 -34.34 76.04 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.549 -0.719 . . . . 3.6899999999999999 109.575 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -65.18 -16.6 63.69 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.378 -0.826 . . . . 1.4299999999999999 109.126 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -96.84 172.92 7.57 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.556 -0.905 . . . . 0.5 108.556 -179.938 91.648 142.98 31.897 102.169 2.018 104.245 148.606 -153.407 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -140.48 152.68 45.81 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.615 -1.303 . . . . 2.8700000000000001 111.64 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.562 ' HB2' ' HB2' ' A' ' 14' ' ' PRO . 1.1 t -90.69 130.08 36.72 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.115 -1.068 . . . . 1.03 108.115 178.986 157.732 55.212 42.336 105.286 2.02 104.385 111.778 73.59 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.701 HG23 HD11 ' A' ' 33' ' ' ILE . 21.7 t -112.58 89.09 12.21 Favored Pre-proline 0 C--N 1.301 -1.526 0 O-C-N 121.146 -0.971 . . . . 0.44 109.209 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.533 ' HA ' ' CA ' ' A' ' 30' ' ' GLY . 54.7 Cg_endo -76.19 109.12 2.82 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.084 1.856 . . . . 0.48999999999999999 109.73 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.594 ' CG2' HG12 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -123.79 -35.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.286 -1.005 . . . . 1.77 108.286 179.23 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -65.93 121.94 20.47 Favored Glycine 0 C--N 1.283 -2.413 0 N-CA-C 106.379 -2.688 . . . . 1.71 106.379 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 26' ' ' GLY . 7.5 mt -43.82 -24.09 0.11 Allowed 'General case' 0 C--N 1.269 -2.899 0 N-CA-C 108.13 -1.063 . . . . 3.0800000000000001 108.13 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.493 ' N ' ' O ' ' A' ' 26' ' ' GLY . 46.8 m-85 -117.9 -13.48 10.08 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 121.536 -0.728 . . . . 4.1100000000000003 110.866 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.653 HG22 ' N ' ' A' ' 30' ' ' GLY . 8.9 p -141.15 164.57 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 120.161 -1.587 . . . . 1.49 112.088 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.653 ' N ' HG22 ' A' ' 29' ' ' VAL . . . -133.25 -179.12 16.04 Favored Glycine 0 N--CA 1.477 1.391 0 N-CA-C 106.783 -2.527 . . . . 0.40999999999999998 106.783 178.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.567 ' HA ' ' HA ' ' A' ' 6' ' ' ALA . 51.7 m-85 -143.96 143.07 31.07 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.932 -1.334 . . . . 0.53000000000000003 110.472 -179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.555 ' SG ' ' CB ' ' A' ' 7' ' ' CYS . 33.2 m -85.91 150.1 24.75 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 121.748 0.785 . . . . 0.75 110.68 -177.976 -78.375 -92.304 -85.141 103.841 2.011 103.394 -84.244 -43.592 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.701 HD11 HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -150.07 150.06 13.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 108.975 -0.75 . . . . 0.48999999999999999 108.975 179.057 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.608 ' O ' ' CG ' ' A' ' 34' ' ' HIS . 1.6 p80 -126.83 88.9 53.41 Favored Pre-proline 0 N--CA 1.494 1.734 0 N-CA-C 109.154 -0.684 . . . . 0.97999999999999998 109.154 179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 34' ' ' HIS . 49.1 Cg_endo -69.27 176.16 6.76 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.327 2.018 . . . . 0.71999999999999997 109.632 179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.07 151.43 27.05 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.926 -0.71 . . . . 2.1699999999999999 109.468 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.176 0 CA-C-O 118.021 -1.433 . . . . 3.0099999999999998 109.526 179.977 . . . . . . . . 0 0 . 1 stop_ save_