data_1wz5_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 1wz5 _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' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.881 0.372 . . . . 1.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 t -143.3 65.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 1.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -170.2 60.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.443 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.447 ' C ' ' H ' ' A' ' 6' ' ' GLY . 44.0 t 46.21 -94.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.437 -179.918 176.32 40.908 149.613 103.984 2.03 103.903 -131.61 -144.852 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 52.77 9.69 0.12 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 4' ' ' CYS . . . -68.23 67.41 0.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.749 -0.66 . . . . 1.0 112.747 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.4 m -98.24 -9.31 25.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.644 -0.278 . . . . 1.0 111.171 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 169.47 -23.36 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.506 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -63.7 -60.38 3.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.555 0.217 . . . . 1.0 111.064 -179.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.2 m -53.54 -29.34 36.33 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.217 0.532 . . . . 1.0 110.446 179.636 -47.644 170.941 89.5 103.671 2.031 103.749 -173.846 -124.653 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -62.79 -30.65 77.69 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.154 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.671 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 30.3 mtp180 -70.01 -57.52 6.15 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 117.2 0.5 . . . . 1.0 112.052 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.671 ' HD3' ' HB2' ' A' ' 12' ' ' ARG . 32.5 Cg_exo -56.0 -44.87 42.95 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 121.685 1.59 . . . . 1.0 111.745 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 p -70.44 -33.66 71.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.819 0.674 . . . . 1.0 112.819 -179.313 84.196 -173.781 -51.894 103.917 2.026 104.452 -160.062 -104.139 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -58.94 -32.04 69.23 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.349 -0.54 . . . . 1.0 111.139 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 4.8 tp60 -49.33 -46.65 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.3 -74.13 0.16 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.104 -0.953 . . . . 1.0 110.424 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.474 ' OG1' ' ND2' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -72.24 -148.79 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.165 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.61 -137.3 5.07 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 120.932 -0.652 . . . . 1.0 112.386 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ABA . . . . . 1.587 ' CG ' ' CB ' ' A' ' 20' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 20' ' ' ABA . 2.7 Cg_exo -76.06 59.48 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.875 2.383 . . . . 1.0 111.883 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.566 ' OD1' ' HB2' ' A' ' 33' ' ' TYR . 7.9 t-20 -127.46 91.74 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 1.0 111.745 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -171.19 136.42 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.09 142.11 2.25 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.413 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.67 138.05 35.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -178.905 -144.852 -131.61 149.613 103.903 2.03 103.984 40.908 176.32 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.453 HG21 HD13 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -135.11 148.07 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -39.34 -47.31 1.72 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.917 0.389 . . . . 1.0 111.275 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -55.96 -51.02 69.14 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.934 -0.575 . . . . 1.0 112.24 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.72 179.83 3.11 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.297 0.57 . . . . 1.0 111.776 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.49 159.7 26.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.647 179.586 -124.653 -173.846 89.5 103.749 2.031 103.671 170.941 -47.644 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 24' ' ' LYS . 5.8 mtmt -155.61 165.78 35.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.134 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.537 ' HB3' ' OD1' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -144.71 159.57 42.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.809 -179.277 -104.139 -160.062 -51.894 104.452 2.026 103.917 -173.781 84.196 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.566 ' HB2' ' OD1' ' A' ' 22' ' ' ASN . 89.1 t80 43.76 70.79 0.29 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.069 0.461 . . . . 1.0 111.6 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.4 29.12 3.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.882 -0.675 . . . . 1.0 112.423 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ABA . . . . . 1.549 ' CG ' ' CB ' ' A' ' 35' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.881 0.372 . . . . 1.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 t -143.3 65.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 1.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -170.2 60.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.443 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.0 t 46.21 -94.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.437 -179.918 176.32 40.908 149.613 103.984 2.03 103.903 -131.61 -144.852 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 52.77 9.69 0.12 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.23 67.41 0.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.749 -0.66 . . . . 1.0 112.747 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.4 m -98.24 -9.31 25.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.644 -0.278 . . . . 1.0 111.171 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 169.47 -23.36 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.506 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -63.7 -60.38 3.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.555 0.217 . . . . 1.0 111.064 -179.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.2 m -53.54 -29.34 36.33 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.217 0.532 . . . . 1.0 110.446 179.636 -47.644 170.941 89.5 103.671 2.031 103.749 -173.846 -124.653 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -62.79 -30.65 77.69 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.154 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.674 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 30.3 mtp180 -70.01 -57.52 6.15 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 117.2 0.5 . . . . 1.0 112.052 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.674 ' HD3' ' HB2' ' A' ' 12' ' ' ARG . 32.5 Cg_exo -56.0 -44.87 42.95 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 121.685 1.59 . . . . 1.0 111.745 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 p -70.44 -33.66 71.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.819 0.674 . . . . 1.0 112.819 -179.313 84.196 -173.781 -51.894 103.917 2.026 104.452 -160.062 -104.139 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -58.94 -32.04 69.23 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.349 -0.54 . . . . 1.0 111.139 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 4.8 tp60 -49.33 -46.65 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.3 -74.13 0.16 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.104 -0.953 . . . . 1.0 110.424 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.474 ' OG1' ' ND2' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -72.24 -148.79 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.165 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.61 -137.3 5.07 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 120.932 -0.652 . . . . 1.0 112.386 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ABA . . . . . 1.587 ' CG ' ' CB ' ' A' ' 20' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 20' ' ' ABA . 2.7 Cg_exo -76.06 59.48 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.875 2.383 . . . . 1.0 111.883 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.589 ' OD1' ' HB2' ' A' ' 33' ' ' TYR . 7.9 t-20 -127.46 91.74 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 1.0 111.745 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -171.19 136.42 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.09 142.11 2.25 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.413 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.67 138.05 35.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -178.905 -144.852 -131.61 149.613 103.903 2.03 103.984 40.908 176.32 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -135.11 148.07 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.768 ' N ' HD13 ' A' ' 26' ' ' ILE . 10.4 t-20 -39.34 -47.31 1.72 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.917 0.389 . . . . 1.0 111.275 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -55.96 -51.02 69.14 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.934 -0.575 . . . . 1.0 112.24 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.72 179.83 3.11 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.297 0.57 . . . . 1.0 111.776 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -79.49 159.7 26.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.647 179.586 -124.653 -173.846 89.5 103.749 2.031 103.671 170.941 -47.644 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' LYS . 5.8 mtmt -155.61 165.78 35.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.134 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.55 ' HB3' ' OD1' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -144.71 159.57 42.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.809 -179.277 -104.139 -160.062 -51.894 104.452 2.026 103.917 -173.781 84.196 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.589 ' HB2' ' OD1' ' A' ' 22' ' ' ASN . 89.1 t80 43.76 70.79 0.29 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.069 0.461 . . . . 1.0 111.6 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.4 29.12 3.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.882 -0.675 . . . . 1.0 112.423 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ABA . . . . . 1.549 ' CG ' ' CB ' ' A' ' 35' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.881 0.372 . . . . 1.0 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 t -143.3 65.86 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 1.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -170.2 60.57 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.443 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 44.0 t 46.21 -94.42 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.437 -179.918 176.32 40.908 149.613 103.984 2.03 103.903 -131.61 -144.852 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 40.5 ttm-85 52.77 9.69 0.12 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 112.503 0.557 . . . . 1.0 112.503 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.23 67.41 0.37 Allowed Glycine 0 N--CA 1.451 -0.355 0 CA-C-N 115.749 -0.66 . . . . 1.0 112.747 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.4 m -98.24 -9.31 25.78 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.644 -0.278 . . . . 1.0 111.171 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 169.47 -23.36 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.506 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' O ' ' CD ' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -63.7 -60.38 3.39 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.555 0.217 . . . . 1.0 111.064 -179.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.2 m -53.54 -29.34 36.33 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.217 0.532 . . . . 1.0 110.446 179.636 -47.644 170.941 89.5 103.671 2.031 103.749 -173.846 -124.653 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' O ' ' HB3' ' A' ' 15' ' ' GLN . . . -62.79 -30.65 77.69 Favored Glycine 0 N--CA 1.444 -0.786 0 CA-C-N 115.511 -0.768 . . . . 1.0 113.154 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.674 ' HB2' ' HD3' ' A' ' 13' ' ' PRO . 30.3 mtp180 -70.01 -57.52 6.15 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 117.2 0.5 . . . . 1.0 112.052 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.674 ' HD3' ' HB2' ' A' ' 12' ' ' ARG . 32.5 Cg_exo -56.0 -44.87 42.95 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 121.685 1.59 . . . . 1.0 111.745 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 p -70.44 -33.66 71.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.819 0.674 . . . . 1.0 112.819 -179.313 84.196 -173.781 -51.894 103.917 2.026 104.452 -160.062 -104.139 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.0 OUTLIER -58.94 -32.04 69.23 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.349 -0.54 . . . . 1.0 111.139 -178.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 4.8 tp60 -49.33 -46.65 47.11 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.64 -0.874 . . . . 1.0 108.64 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -71.3 -74.13 0.16 Allowed 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.104 -0.953 . . . . 1.0 110.424 178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.474 ' OG1' ' ND2' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -72.24 -148.79 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 111.165 179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.61 -137.3 5.07 Favored Glycine 0 C--N 1.336 0.537 0 C-N-CA 120.932 -0.652 . . . . 1.0 112.386 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ABA . . . . . 1.587 ' CG ' ' CB ' ' A' ' 20' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 20' ' ' ABA . 2.7 Cg_exo -76.06 59.48 5.9 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.875 2.383 . . . . 1.0 111.883 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.589 ' OD1' ' HB2' ' A' ' 33' ' ' TYR . 7.9 t-20 -127.46 91.74 3.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.971 -0.559 . . . . 1.0 111.745 -179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -171.19 136.42 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' HB3' ' HB2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -170.09 142.11 2.25 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.623 -0.717 . . . . 1.0 109.413 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -139.67 138.05 35.74 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.244 0.461 . . . . 1.0 112.244 -178.905 -144.852 -131.61 149.613 103.903 2.03 103.984 40.908 176.32 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -135.11 148.07 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 108.989 -0.745 . . . . 1.0 108.989 178.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.768 ' N ' HD13 ' A' ' 26' ' ' ILE . 10.4 t-20 -39.34 -47.31 1.72 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.917 0.389 . . . . 1.0 111.275 -178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -55.96 -51.02 69.14 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.934 -0.575 . . . . 1.0 112.24 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.72 179.83 3.11 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 121.297 0.57 . . . . 1.0 111.776 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -79.49 159.7 26.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.647 179.586 -124.653 -173.846 89.5 103.749 2.031 103.671 170.941 -47.644 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB2' ' HB3' ' A' ' 24' ' ' LYS . 5.8 mtmt -155.61 165.78 35.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.134 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.55 ' HB3' ' OD1' ' A' ' 22' ' ' ASN . 0.8 OUTLIER -144.71 159.57 42.63 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.809 -179.277 -104.139 -160.062 -51.894 104.452 2.026 103.917 -173.781 84.196 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.589 ' HB2' ' OD1' ' A' ' 22' ' ' ASN . 89.1 t80 43.76 70.79 0.29 Allowed 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.069 0.461 . . . . 1.0 111.6 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.4 29.12 3.2 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.882 -0.675 . . . . 1.0 112.423 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ABA . . . . . 1.549 ' CG ' ' CB ' ' A' ' 35' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_