data_1cbh_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 1cbh _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' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.13 0.49 . . . . 1.31 109.805 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -106.85 171.59 7.28 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.243 -0.89 . . . . 1.65 109.638 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.17 178.72 4.18 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.863 -0.735 . . . . 0.95 110.003 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.667 ' CE1' ' CE2' ' A' ' 5' ' ' TYR . 22.9 t-160 -61.57 141.06 58.01 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.907 -1.145 . . . . 0.48 107.907 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.667 ' CE2' ' CE1' ' A' ' 4' ' ' HIS . 60.9 m-85 63.78 21.54 12.71 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 120.295 -0.562 . . . . 1.18 109.707 -178.176 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.59 153.3 20.91 Favored Glycine 0 N--CA 1.484 1.866 0 C-N-CA 119.682 -1.246 . . . . 0.34 111.48 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -80.67 111.5 17.16 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.794 -0.762 . . . . 0.4 110.986 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 35' ' ' CYS . 1.0 OUTLIER -98.16 -23.03 15.88 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 119.141 -1.024 . . . . 0.45 110.268 178.773 35.061 117.481 102.23 103.408 2.024 104.112 55.607 -164.996 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.03 -163.64 11.28 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.292 -1.909 . . . . 0.32 112.335 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.61 134.02 6.83 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 110.419 -1.072 . . . . 0.38 110.419 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.441 HG21 ' N ' ' A' ' 12' ' ' GLY . 60.1 mt -48.73 150.14 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.218 -0.993 . . . . 1.15 109.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' N ' HG21 ' A' ' 11' ' ' ILE . . . 79.9 -8.45 50.35 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 119.871 -1.157 . . . . 0.53 111.191 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -89.35 126.76 35.66 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.444 -0.902 . . . . 0.54 110.522 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -123.09 42.78 3.11 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.983 -0.687 . . . . 1.2 109.993 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.09 176.17 16.41 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 110.456 -1.058 . . . . 0.48 110.456 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.54 156.68 45.69 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 C-N-CA 121.368 1.379 . . . . 0.5 110.119 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.8 p -119.51 15.29 12.88 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.75 -0.78 . . . . 1.15 111.522 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -94.74 113.68 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.024 -1.071 . . . . 1.1 109.91 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.09 150.3 38.87 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.373 -0.931 . . . . 0.39 110.879 -179.666 -56.71 -70.196 -79.558 104.383 2.021 104.565 -79.736 -78.567 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' O ' ' OG1' ' A' ' 23' ' ' THR . . . -54.16 159.03 2.0 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.388 -0.925 . . . . 1.13 109.734 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m -56.67 148.42 20.15 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.165 -1.014 . . . . 1.76 110.692 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.65 -17.1 51.65 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 119.55 -1.309 . . . . 0.45 111.422 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -117.6 174.57 6.09 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.772 -0.771 . . . . 1.1 111.004 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 163.94 32.32 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 114.902 -1.045 . . . . 1.1 109.351 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.6 t -87.73 133.55 33.83 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.546 -1.262 . . . . 0.37 110.474 -179.618 -164.996 55.607 102.23 104.112 2.024 103.408 117.481 35.061 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -130.76 114.67 15.64 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.514 -0.766 . . . . 1.99 110.293 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.21 122.35 11.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 C-N-CA 119.315 -0.954 . . . . 1.18 109.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.44 ' HG ' HD22 ' A' ' 29' ' ' ASN . 0.3 OUTLIER -86.5 -63.67 1.28 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 106.431 -1.692 . . . . 1.98 106.431 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.601 ' N ' ' ND2' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -139.72 176.65 2.43 Favored Pre-proline 0 N--CA 1.512 2.642 0 N-CA-C 108.376 -0.972 . . . . 2.06 108.376 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' CD ' ' CB ' ' A' ' 29' ' ' ASN . 3.4 Cg_exo -68.52 25.03 0.14 Allowed 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 120.724 0.949 . . . . 0.48 111.513 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.564 ' H ' ' C ' ' A' ' 29' ' ' ASN . 96.4 m-85 -152.3 11.86 0.54 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.906 -0.718 . . . . 1.21 109.876 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -170.39 130.84 0.91 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.935 -1.106 . . . . 0.93 111.361 -178.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -133.39 115.25 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.706 -0.798 . . . . 0.92 109.063 177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.69 156.49 16.66 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.633 -1.167 . . . . 1.8 112.611 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.1 m -102.41 114.06 27.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 115.643 -0.708 . . . . 0.4 110.466 179.805 -78.567 -79.736 -79.558 104.565 2.021 104.383 -70.196 -56.71 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 116.398 -1.763 . . . . 1.81 110.741 -179.03 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.13 0.49 . . . . 0.68999999999999995 109.805 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.6 tp60 -106.85 171.59 7.28 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.243 -0.89 . . . . 1.4199999999999999 109.638 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.17 178.72 4.18 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.863 -0.735 . . . . 0.57999999999999996 110.003 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.697 ' CD2' ' CE2' ' A' ' 5' ' ' TYR . 1.9 t60 -61.57 141.06 58.01 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.907 -1.145 . . . . 0.40000000000000002 107.907 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.697 ' CE2' ' CD2' ' A' ' 4' ' ' HIS . 60.9 m-85 63.78 21.54 12.71 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 120.295 -0.562 . . . . 0.64000000000000001 109.707 -178.176 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.59 153.3 20.91 Favored Glycine 0 N--CA 1.484 1.866 0 C-N-CA 119.682 -1.246 . . . . 0.28000000000000003 111.48 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -80.67 111.5 17.16 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.794 -0.762 . . . . 0.40000000000000002 110.986 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.683 ' O ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -98.16 -23.03 15.88 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 119.141 -1.024 . . . . 0.33000000000000002 110.268 178.773 35.061 117.481 102.23 103.408 2.024 104.112 55.607 -164.996 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.03 -163.64 11.28 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.292 -1.909 . . . . 0.32000000000000001 112.335 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.61 134.02 6.83 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 110.419 -1.072 . . . . 0.38 110.419 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 30' ' ' PRO . 60.1 mt -48.73 150.14 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.218 -0.993 . . . . 0.46000000000000002 109.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.9 -8.45 50.35 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 119.871 -1.157 . . . . 0.52000000000000002 111.191 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -89.35 126.76 35.66 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.444 -0.902 . . . . 0.54000000000000004 110.522 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -123.09 42.78 3.11 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.983 -0.687 . . . . 0.69999999999999996 109.993 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.09 176.17 16.41 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 110.456 -1.058 . . . . 0.34999999999999998 110.456 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.54 156.68 45.69 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 C-N-CA 121.368 1.379 . . . . 0.45000000000000001 110.119 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' CYS . 82.8 p -119.51 15.29 12.88 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.75 -0.78 . . . . 0.39000000000000001 111.522 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -94.74 113.68 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.024 -1.071 . . . . 0.39000000000000001 109.91 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.09 150.3 38.87 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.373 -0.931 . . . . 0.33000000000000002 110.879 -179.666 -56.71 -70.196 -79.558 104.383 2.021 104.565 -79.736 -78.567 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -54.16 159.03 2.0 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.388 -0.925 . . . . 0.39000000000000001 109.734 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m -56.67 148.42 20.15 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.165 -1.014 . . . . 1.3600000000000001 110.692 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.65 -17.1 51.65 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 119.55 -1.309 . . . . 0.44 111.422 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -117.6 174.57 6.09 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.772 -0.771 . . . . 0.28999999999999998 111.004 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 163.94 32.32 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 114.902 -1.045 . . . . 0.35999999999999999 109.351 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.6 t -87.73 133.55 33.83 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.546 -1.262 . . . . 0.37 110.474 -179.618 -164.996 55.607 102.23 104.112 2.024 103.408 117.481 35.061 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -130.76 114.67 15.64 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.514 -0.766 . . . . 1.8899999999999999 110.293 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.21 122.35 11.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 C-N-CA 119.315 -0.954 . . . . 0.46999999999999997 109.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -86.5 -63.67 1.28 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 106.431 -1.692 . . . . 1.3600000000000001 106.431 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -139.72 176.65 2.43 Favored Pre-proline 0 N--CA 1.512 2.642 0 N-CA-C 108.376 -0.972 . . . . 2.0600000000000001 108.376 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.4 Cg_exo -68.52 25.03 0.14 Allowed 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 120.724 0.949 . . . . 0.42999999999999999 111.513 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 29' ' ' ASN . 96.4 m-85 -152.3 11.86 0.54 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.906 -0.718 . . . . 0.71999999999999997 109.876 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 28' ' ' LEU . 44.4 t80 -170.39 130.84 0.91 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.935 -1.106 . . . . 0.53000000000000003 111.361 -178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.468 ' HA ' ' H ' ' A' ' 28' ' ' LEU . 50.5 m -133.39 115.25 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.706 -0.798 . . . . 0.23000000000000001 109.063 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.69 156.49 16.66 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.633 -1.167 . . . . 1.8 112.611 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.1 m -102.41 114.06 27.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 115.643 -0.708 . . . . 0.34999999999999998 110.466 179.805 -78.567 -79.736 -79.558 104.565 2.021 104.383 -70.196 -56.71 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 116.398 -1.763 . . . . 1.21 110.741 -179.03 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.13 0.49 . . . . 0.68999999999999995 109.805 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.6 tp60 -106.85 171.59 7.28 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.243 -0.89 . . . . 1.4199999999999999 109.638 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.17 178.72 4.18 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 119.863 -0.735 . . . . 0.57999999999999996 110.003 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.667 ' CE1' ' CE2' ' A' ' 5' ' ' TYR . 22.9 t-160 -61.57 141.06 58.01 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.907 -1.145 . . . . 0.40000000000000002 107.907 -179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.667 ' CE2' ' CE1' ' A' ' 4' ' ' HIS . 60.9 m-85 63.78 21.54 12.71 Favored 'General case' 0 N--CA 1.508 2.468 0 C-N-CA 120.295 -0.562 . . . . 0.64000000000000001 109.707 -178.176 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -94.59 153.3 20.91 Favored Glycine 0 N--CA 1.484 1.866 0 C-N-CA 119.682 -1.246 . . . . 0.28000000000000003 111.48 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -80.67 111.5 17.16 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.794 -0.762 . . . . 0.40000000000000002 110.986 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.683 ' O ' HG22 ' A' ' 17' ' ' THR . 1.0 OUTLIER -98.16 -23.03 15.88 Favored 'General case' 0 C--N 1.31 -1.111 0 C-N-CA 119.141 -1.024 . . . . 0.33000000000000002 110.268 178.773 35.061 117.481 102.23 103.408 2.024 104.112 55.607 -164.996 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.03 -163.64 11.28 Favored Glycine 0 N--CA 1.488 2.125 0 C-N-CA 118.292 -1.909 . . . . 0.32000000000000001 112.335 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.61 134.02 6.83 Favored Glycine 0 N--CA 1.481 1.684 0 N-CA-C 110.419 -1.072 . . . . 0.38 110.419 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.444 HD12 ' O ' ' A' ' 30' ' ' PRO . 60.1 mt -48.73 150.14 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 C-N-CA 119.218 -0.993 . . . . 0.46000000000000002 109.872 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.9 -8.45 50.35 Favored Glycine 0 N--CA 1.482 1.753 0 C-N-CA 119.871 -1.157 . . . . 0.52000000000000002 111.191 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -89.35 126.76 35.66 Favored 'General case' 0 N--CA 1.491 1.607 0 C-N-CA 119.444 -0.902 . . . . 0.54000000000000004 110.522 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -123.09 42.78 3.11 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.983 -0.687 . . . . 0.69999999999999996 109.993 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -122.09 176.17 16.41 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 110.456 -1.058 . . . . 0.34999999999999998 110.456 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -61.54 156.68 45.69 Favored 'Trans proline' 0 C--N 1.318 -1.066 0 C-N-CA 121.368 1.379 . . . . 0.45000000000000001 110.119 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 8' ' ' CYS . 82.8 p -119.51 15.29 12.88 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 119.75 -0.78 . . . . 0.39000000000000001 111.522 -177.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -94.74 113.68 29.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 C-N-CA 119.024 -1.071 . . . . 0.39000000000000001 109.91 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.09 150.3 38.87 Favored 'General case' 0 N--CA 1.491 1.586 0 C-N-CA 119.373 -0.931 . . . . 0.33000000000000002 110.879 -179.666 -56.71 -70.196 -79.558 104.383 2.021 104.565 -79.736 -78.567 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 2' ' ' GLN . . . -54.16 159.03 2.0 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.388 -0.925 . . . . 0.39000000000000001 109.734 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.9 m -56.67 148.42 20.15 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 119.165 -1.014 . . . . 1.3600000000000001 110.692 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.65 -17.1 51.65 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 119.55 -1.309 . . . . 0.44 111.422 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.444 ' OG1' ' O ' ' A' ' 20' ' ' ALA . 0.7 OUTLIER -117.6 174.57 6.09 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 119.772 -0.771 . . . . 0.28999999999999998 111.004 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.42 163.94 32.32 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 114.902 -1.045 . . . . 0.35999999999999999 109.351 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.6 t -87.73 133.55 33.83 Favored 'General case' 0 C--N 1.299 -1.596 0 C-N-CA 118.546 -1.262 . . . . 0.37 110.474 -179.618 -164.996 55.607 102.23 104.112 2.024 103.408 117.481 35.061 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -130.76 114.67 15.64 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 115.514 -0.766 . . . . 1.8899999999999999 110.293 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -61.21 122.35 11.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 C-N-CA 119.315 -0.954 . . . . 0.46999999999999997 109.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -86.5 -63.67 1.28 Allowed 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 106.431 -1.692 . . . . 1.3600000000000001 106.431 178.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.601 ' ND2' ' N ' ' A' ' 29' ' ' ASN . 0.0 OUTLIER -139.72 176.65 2.43 Favored Pre-proline 0 N--CA 1.512 2.642 0 N-CA-C 108.376 -0.972 . . . . 2.0600000000000001 108.376 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.444 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.4 Cg_exo -68.52 25.03 0.14 Allowed 'Trans proline' 0 CA--C 1.537 0.651 0 C-N-CA 120.724 0.949 . . . . 0.42999999999999999 111.513 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' H ' ' C ' ' A' ' 29' ' ' ASN . 96.4 m-85 -152.3 11.86 0.54 Allowed 'General case' 0 C--N 1.304 -1.374 0 C-N-CA 119.906 -0.718 . . . . 0.71999999999999997 109.876 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.564 ' CE2' HD23 ' A' ' 28' ' ' LEU . 44.4 t80 -170.39 130.84 0.91 Allowed 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 118.935 -1.106 . . . . 0.53000000000000003 111.361 -178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.468 ' HA ' ' H ' ' A' ' 28' ' ' LEU . 50.5 m -133.39 115.25 14.63 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 119.706 -0.798 . . . . 0.23000000000000001 109.063 177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.69 156.49 16.66 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-N 114.633 -1.167 . . . . 1.8 112.611 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.435 ' SG ' ' SG ' ' A' ' 8' ' ' CYS . 32.1 m -102.41 114.06 27.93 Favored 'General case' 0 N--CA 1.502 2.164 0 CA-C-N 115.643 -0.708 . . . . 0.34999999999999998 110.466 179.805 -78.567 -79.736 -79.558 104.565 2.021 104.383 -70.196 -56.71 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 N--CA 1.5 2.05 0 CA-C-O 116.398 -1.763 . . . . 1.21 110.741 -179.03 . . . . . . . . 0 0 . 1 stop_ save_