data_1mhu_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 1mhu _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 ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.319 -0.623 . . . . 7.2800000000000002 109.319 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 t -75.01 128.46 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 3.2599999999999998 110.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 47' ' ' GLY . 29.7 t -74.44 -49.44 22.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.5800000000000001 108.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -146.75 162.22 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.1399999999999999 108.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' SER . 16.4 p -89.56 27.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 3.1499999999999999 110.017 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 -36.76 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 3.1699999999999999 108.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.41 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 95.4 m -97.98 156.15 36.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.71 108.276 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 -91.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 2.0299999999999998 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 38' ' ' PRO . 2.9 t -162.92 159.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 3.6000000000000001 109.324 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . 56.45 26.86 52.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 3.0299999999999998 111.027 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.1 t -73.28 116.29 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.998 . . . . 2.75 108.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.6 -29.98 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 3.6800000000000002 109.261 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 7.2 mmtt -80.33 8.75 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 4.8399999999999999 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 72.1 m -153.27 23.67 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 2.1899999999999999 108.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.75 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 2.5800000000000001 109.277 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -87.28 18.16 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 5.9199999999999999 110.253 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . . . 137.78 -111.32 0.81 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 1.6299999999999999 111.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -156.38 84.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.321 -0.992 . . . . 1.6299999999999999 108.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.59 17.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 3.71 109.337 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.54 116.36 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.7 108.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -120.48 -16.69 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 5.54 109.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 51' ' ' LYS . . . -37.22 -92.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 5.6600000000000001 110.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 56' ' ' LYS . . . -146.39 -147.48 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 3.6299999999999999 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.5 p -123.48 -34.97 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 6.0300000000000002 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.26 -22.94 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 4.1900000000000004 109.309 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -160.33 128.02 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 6.1699999999999999 109.257 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.9 p -119.89 -166.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.8400000000000001 108.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -154.14 23.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 3.4199999999999999 110.02 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.73 1.63 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.6699999999999999 108.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.3 m -146.44 21.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 2.0800000000000001 108.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.959 -1.496 . . . . 4.4100000000000001 109.262 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.319 -0.623 . . . . 6.6600000000000001 109.319 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 t -75.01 128.46 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 2.6800000000000002 110.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 47' ' ' GLY . 29.7 t -74.44 -49.44 22.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.4299999999999999 108.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -146.75 162.22 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.1299999999999999 108.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' SER . 16.4 p -89.56 27.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 2.1299999999999999 110.017 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 -36.76 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 3.1699999999999999 108.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 95.4 m -97.98 156.15 36.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.71 108.276 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.786 ' O ' HG23 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 -91.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 2.0299999999999998 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 38' ' ' PRO . 2.9 t -162.92 159.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 2.6699999999999999 109.324 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . 56.45 26.86 52.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 2.1899999999999999 111.027 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.1 t -73.28 116.29 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.998 . . . . 2.75 108.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.6 -29.98 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 2.6099999999999999 109.261 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 7.2 mmtt -80.33 8.75 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 4.21 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 72.1 m -153.27 23.67 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.6899999999999999 108.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.75 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 2.0699999999999998 109.277 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -87.28 18.16 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 5.2300000000000004 110.253 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . . . 137.78 -111.32 0.81 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 1.6299999999999999 111.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -156.38 84.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.321 -0.992 . . . . 1.6299999999999999 108.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.59 17.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 2.1800000000000002 109.337 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.54 116.36 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.7 108.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -120.48 -16.69 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 5.2000000000000002 109.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 51' ' ' LYS . . . -37.22 -92.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 4.1600000000000001 110.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 56' ' ' LYS . . . -146.39 -147.48 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 3.6299999999999999 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.5 p -123.48 -34.97 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 4.7800000000000002 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.26 -22.94 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 4.1900000000000004 109.309 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.919 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -160.33 128.02 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 4.8899999999999997 109.257 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.9 p -119.89 -166.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.8400000000000001 108.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -154.14 23.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 3.0099999999999998 110.02 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.73 1.63 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.6699999999999999 108.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.3 m -146.44 21.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 2.0800000000000001 108.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.959 -1.496 . . . . 3.54 109.262 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.319 -0.623 . . . . 6.6600000000000001 109.319 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.9 t -75.01 128.46 35.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 2.6800000000000002 110.006 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 47' ' ' GLY . 29.7 t -74.44 -49.44 22.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.4299999999999999 108.29 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -146.75 162.22 38.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 1.1299999999999999 108.32 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 54' ' ' SER . 16.4 p -89.56 27.08 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 2.1299999999999999 110.017 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.15 -36.76 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 3.1699999999999999 108.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 95.4 m -97.98 156.15 36.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 1.71 108.276 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.786 ' O ' HG23 ' A' ' 39' ' ' VAL . 18.3 Cg_endo -75.0 -91.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 2.0299999999999998 110.982 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 38' ' ' PRO . 2.9 t -162.92 159.22 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 2.6699999999999999 109.324 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' N ' ' CG1' ' A' ' 39' ' ' VAL . . . 56.45 26.86 52.73 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 2.1899999999999999 111.027 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 44' ' ' CYS . 40.1 t -73.28 116.29 13.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.307 -0.998 . . . . 2.75 108.307 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.6 -29.98 53.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 2.6099999999999999 109.261 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.535 ' O ' ' CG1' ' A' ' 49' ' ' ILE . 7.2 mmtt -80.33 8.75 6.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 4.21 109.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.423 ' N ' ' O ' ' A' ' 41' ' ' CYS . 72.1 m -153.27 23.67 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 1.6899999999999999 108.278 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.75 14.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 2.0699999999999998 109.277 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -87.28 18.16 3.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 5.2300000000000004 110.253 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.403 ' O ' ' SG ' ' A' ' 33' ' ' CYS . . . 137.78 -111.32 0.81 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.496 1.123 . . . . 1.6299999999999999 111.018 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 42.6 t -156.38 84.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.321 -0.992 . . . . 1.6299999999999999 108.321 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.535 ' CG1' ' O ' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.59 17.61 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 2.1800000000000002 109.337 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.8 t -92.54 116.36 28.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 1.7 108.322 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -120.48 -16.69 8.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 5.2000000000000002 109.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 51' ' ' LYS . . . -37.22 -92.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 4.1600000000000001 110.988 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.919 ' HB3' ' O ' ' A' ' 56' ' ' LYS . . . -146.39 -147.48 0.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 3.6299999999999999 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 35' ' ' SER . 9.5 p -123.48 -34.97 3.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 4.7800000000000002 109.966 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.26 -22.94 16.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 4.1900000000000004 109.309 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.919 ' O ' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -160.33 128.02 4.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 4.8899999999999997 109.257 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.9 p -119.89 -166.15 1.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 1.8400000000000001 108.273 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -154.14 23.14 0.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 3.0099999999999998 110.02 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.73 1.63 8.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 1.6699999999999999 108.276 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.3 m -146.44 21.19 1.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 2.0800000000000001 108.302 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 116.959 -1.496 . . . . 3.54 109.262 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_