data_1dft_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 1dft _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' ' ' MET . . . . . . . . . . . . . 30.7 mmt . . . . . 2 N--CA 1.614 7.743 0 N-CA-C 113.702 1.001 . . . . 5.0 113.702 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.299 15.1 t70 62.64 55.63 2.3 Favored Pre-proline 3 N--CA 1.62 8.053 0 C-N-CA 129.268 3.027 . . . . 4.63 111.134 -175.672 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.6 -17.64 38.19 Favored 'Trans proline' 3 C--N 1.504 8.749 0 C-N-CA 123.899 3.066 . . . . 2.81 114.09 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -59.57 -55.2 37.46 Favored 'General case' 3 N--CA 1.61 7.568 0 C-N-CA 127.404 2.282 . . . . 2.95 113.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.293 0.5 OUTLIER -142.06 166.49 24.55 Favored 'General case' 3 N--CA 1.628 8.425 0 N-CA-C 119.827 3.269 . . . . 1.59 119.827 -176.414 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -133.51 51.93 2.11 Favored 'General case' 3 N--CA 1.619 8.017 0 C-N-CA 128.578 2.751 . . . . 1.9 110.484 176.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.33 -18.17 63.78 Favored 'General case' 3 N--CA 1.658 9.932 0 C-N-CA 126.993 2.117 . . . . 1.84 113.87 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . 0.369 3.4 t 113.65 -137.8 0.0 OUTLIER 'General case' 3 N--CA 1.66 10.037 1 C-N-CA 132.585 4.354 . . . . 2.89 110.521 -178.676 . . . . . . . . 4 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -150.44 -42.41 0.13 Allowed 'General case' 3 N--CA 1.656 9.869 0 CA-C-N 125.905 3.957 . . . . 4.37 114.4 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.35 -118.82 0.0 OUTLIER Glycine 3 N--CA 1.605 9.928 0 C-N-CA 129.881 3.61 . . . . 3.27 120.861 -174.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.39 -61.71 0.84 Allowed Glycine 3 N--CA 1.581 8.353 0 CA-C-N 120.445 2.122 . . . . 3.39 113.112 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 t -125.16 143.57 50.87 Favored 'General case' 3 N--CA 1.634 8.742 0 CA-C-N 120.289 2.044 . . . . 2.75 113.965 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.91 -16.54 12.68 Favored 'General case' 3 N--CA 1.64 9.041 0 C-N-CA 128.059 2.544 . . . . 1.97 113.917 175.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.408 0.2 OUTLIER 86.76 -92.43 0.01 OUTLIER 'General case' 3 N--CA 1.619 7.999 0 C-N-CA 131.394 3.878 . . . . 3.67 109.627 -177.829 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 m 59.75 70.99 0.6 Allowed 'General case' 3 N--CA 1.663 10.192 0 CA-C-N 123.894 3.043 . . . . 1.7 108.882 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.291 69.2 p -104.36 -112.18 0.25 Allowed 'General case' 3 N--CA 1.644 9.255 0 C-N-CA 126.977 2.111 . . . . 3.78 112.556 -172.844 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.9 m -70.05 -37.06 75.44 Favored 'General case' 3 N--CA 1.64 9.058 0 CA-C-N 123.866 3.03 . . . . 3.69 114.07 -177.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -137.61 131.56 31.75 Favored 'General case' 3 N--CA 1.621 8.097 0 C-N-CA 126.972 2.109 . . . . 3.51 112.256 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.4 140.81 39.76 Favored 'General case' 3 N--CA 1.634 8.758 0 C-N-CA 126.604 1.962 . . . . 1.92 109.445 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.18 47.93 1.16 Allowed 'General case' 3 N--CA 1.625 8.277 0 C-N-CA 125.795 1.638 . . . . 1.91 110.557 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.8 m -123.09 -126.29 0.26 Allowed 'General case' 3 N--CA 1.624 8.227 0 C-N-CA 127.362 2.265 . . . . 1.14 108.168 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -132.86 -62.44 0.81 Allowed 'General case' 3 N--CA 1.608 7.447 0 C-N-CA 128.67 2.788 . . . . 3.69 106.249 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -133.68 -61.84 0.79 Allowed 'General case' 3 N--CA 1.615 7.801 0 C-N-CA 127.5 2.32 . . . . 2.52 109.503 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.329 2.8 m 83.42 151.12 0.09 Allowed 'General case' 3 N--CA 1.658 9.941 0 C-N-CA 130.893 3.677 . . . . 1.55 112.727 -179.937 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -105.86 66.71 0.73 Allowed 'General case' 3 N--CA 1.625 8.319 0 N-CA-C 105.387 -2.079 . . . . 4.9 105.387 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.253 79.8 m -116.27 -120.45 0.31 Allowed 'General case' 3 N--CA 1.638 8.948 0 CA-C-O 114.927 -2.463 . . . . 1.68 111.205 -174.832 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.255 39.2 p -103.04 -82.39 0.49 Allowed 'General case' 3 N--CA 1.642 9.148 0 CA-C-N 125.062 3.574 . . . . 2.53 108.928 -177.352 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -83.14 1.45 40.41 Favored 'General case' 3 N--CA 1.647 9.413 0 CA-C-N 123.269 2.758 . . . . 2.39 112.145 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.0 m -74.69 -64.2 1.09 Allowed 'General case' 3 N--CA 1.631 8.592 0 C-N-CA 127.925 2.49 . . . . 1.77 105.996 176.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 tttt . . . . . 3 N--CA 1.649 9.482 0 C-N-CA 127.619 2.368 . . . . 5.37 111.648 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 mmt . . . . . 2 N--CA 1.614 7.743 0 N-CA-C 113.702 1.001 . . . . 4.52 113.702 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.299 15.1 t70 62.64 55.63 2.3 Favored Pre-proline 3 N--CA 1.62 8.053 0 C-N-CA 129.268 3.027 . . . . 4.63 111.134 -175.672 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.6 -17.64 38.19 Favored 'Trans proline' 3 C--N 1.504 8.749 0 C-N-CA 123.899 3.066 . . . . 2.21 114.09 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -59.57 -55.2 37.46 Favored 'General case' 3 N--CA 1.61 7.568 0 C-N-CA 127.404 2.282 . . . . 2.47 113.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.293 0.5 OUTLIER -142.06 166.49 24.55 Favored 'General case' 3 N--CA 1.628 8.425 0 N-CA-C 119.827 3.269 . . . . 1.17 119.827 -176.414 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -133.51 51.93 2.11 Favored 'General case' 3 N--CA 1.619 8.017 0 C-N-CA 128.578 2.751 . . . . 1.62 110.484 176.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.33 -18.17 63.78 Favored 'General case' 3 N--CA 1.658 9.932 0 C-N-CA 126.993 2.117 . . . . 1.84 113.87 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . 0.369 3.4 t 113.65 -137.8 0.0 OUTLIER 'General case' 3 N--CA 1.66 10.037 1 C-N-CA 132.585 4.354 . . . . 2.32 110.521 -178.676 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -150.44 -42.41 0.13 Allowed 'General case' 3 N--CA 1.656 9.869 0 CA-C-N 125.905 3.957 . . . . 3.81 114.4 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.35 -118.82 0.0 OUTLIER Glycine 3 N--CA 1.605 9.928 0 C-N-CA 129.881 3.61 . . . . 3.27 120.861 -174.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.39 -61.71 0.84 Allowed Glycine 3 N--CA 1.581 8.353 0 CA-C-N 120.445 2.122 . . . . 2.92 113.112 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 t -125.16 143.57 50.87 Favored 'General case' 3 N--CA 1.634 8.742 0 CA-C-N 120.289 2.044 . . . . 2.53 113.965 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.91 -16.54 12.68 Favored 'General case' 3 N--CA 1.64 9.041 0 C-N-CA 128.059 2.544 . . . . 1.97 113.917 175.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.408 0.2 OUTLIER 86.76 -92.43 0.01 OUTLIER 'General case' 3 N--CA 1.619 7.999 0 C-N-CA 131.394 3.878 . . . . 3.08 109.627 -177.829 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 m 59.75 70.99 0.6 Allowed 'General case' 3 N--CA 1.663 10.192 0 CA-C-N 123.894 3.043 . . . . 1.7 108.882 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.291 69.2 p -104.36 -112.18 0.25 Allowed 'General case' 3 N--CA 1.644 9.255 0 C-N-CA 126.977 2.111 . . . . 3.52 112.556 -172.844 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.9 m -70.05 -37.06 75.44 Favored 'General case' 3 N--CA 1.64 9.058 0 CA-C-N 123.866 3.03 . . . . 3.4 114.07 -177.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -137.61 131.56 31.75 Favored 'General case' 3 N--CA 1.621 8.097 0 C-N-CA 126.972 2.109 . . . . 3.13 112.256 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.4 140.81 39.76 Favored 'General case' 3 N--CA 1.634 8.758 0 C-N-CA 126.604 1.962 . . . . 1.15 109.445 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.18 47.93 1.16 Allowed 'General case' 3 N--CA 1.625 8.277 0 C-N-CA 125.795 1.638 . . . . 1.37 110.557 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.8 m -123.09 -126.29 0.26 Allowed 'General case' 3 N--CA 1.624 8.227 0 C-N-CA 127.362 2.265 . . . . 1.0 108.168 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -132.86 -62.44 0.81 Allowed 'General case' 3 N--CA 1.608 7.447 0 C-N-CA 128.67 2.788 . . . . 3.01 106.249 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -133.68 -61.84 0.79 Allowed 'General case' 3 N--CA 1.615 7.801 0 C-N-CA 127.5 2.32 . . . . 2.01 109.503 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.329 2.8 m 83.42 151.12 0.09 Allowed 'General case' 3 N--CA 1.658 9.941 0 C-N-CA 130.893 3.677 . . . . 1.55 112.727 -179.937 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -105.86 66.71 0.73 Allowed 'General case' 3 N--CA 1.625 8.319 0 N-CA-C 105.387 -2.079 . . . . 4.45 105.387 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.253 79.8 m -116.27 -120.45 0.31 Allowed 'General case' 3 N--CA 1.638 8.948 0 CA-C-O 114.927 -2.463 . . . . 1.68 111.205 -174.832 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.255 39.2 p -103.04 -82.39 0.49 Allowed 'General case' 3 N--CA 1.642 9.148 0 CA-C-N 125.062 3.574 . . . . 1.94 108.928 -177.352 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -83.14 1.45 40.41 Favored 'General case' 3 N--CA 1.647 9.413 0 CA-C-N 123.269 2.758 . . . . 2.01 112.145 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.0 m -74.69 -64.2 1.09 Allowed 'General case' 3 N--CA 1.631 8.592 0 C-N-CA 127.925 2.49 . . . . 1.77 105.996 176.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 tttt . . . . . 3 N--CA 1.649 9.482 0 C-N-CA 127.619 2.368 . . . . 4.9 111.648 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 mmt . . . . . 2 N--CA 1.614 7.743 0 N-CA-C 113.702 1.001 . . . . 4.52 113.702 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . 0.299 15.1 t70 62.64 55.63 2.3 Favored Pre-proline 3 N--CA 1.62 8.053 0 C-N-CA 129.268 3.027 . . . . 4.63 111.134 -175.672 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -69.6 -17.64 38.19 Favored 'Trans proline' 3 C--N 1.504 8.749 0 C-N-CA 123.899 3.066 . . . . 2.21 114.09 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -59.57 -55.2 37.46 Favored 'General case' 3 N--CA 1.61 7.568 0 C-N-CA 127.404 2.282 . . . . 2.47 113.868 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.293 0.5 OUTLIER -142.06 166.49 24.55 Favored 'General case' 3 N--CA 1.628 8.425 0 N-CA-C 119.827 3.269 . . . . 1.17 119.827 -176.414 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -133.51 51.93 2.11 Favored 'General case' 3 N--CA 1.619 8.017 0 C-N-CA 128.578 2.751 . . . . 1.62 110.484 176.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -69.33 -18.17 63.78 Favored 'General case' 3 N--CA 1.658 9.932 0 C-N-CA 126.993 2.117 . . . . 1.84 113.87 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . 0.369 3.4 t 113.65 -137.8 0.0 OUTLIER 'General case' 3 N--CA 1.66 10.037 1 C-N-CA 132.585 4.354 . . . . 2.32 110.521 -178.676 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -150.44 -42.41 0.13 Allowed 'General case' 3 N--CA 1.656 9.869 0 CA-C-N 125.905 3.957 . . . . 3.81 114.4 -176.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -42.35 -118.82 0.0 OUTLIER Glycine 3 N--CA 1.605 9.928 0 C-N-CA 129.881 3.61 . . . . 3.27 120.861 -174.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.39 -61.71 0.84 Allowed Glycine 3 N--CA 1.581 8.353 0 CA-C-N 120.445 2.122 . . . . 2.92 113.112 -176.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 t -125.16 143.57 50.87 Favored 'General case' 3 N--CA 1.634 8.742 0 CA-C-N 120.289 2.044 . . . . 2.53 113.965 -177.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -112.91 -16.54 12.68 Favored 'General case' 3 N--CA 1.64 9.041 0 C-N-CA 128.059 2.544 . . . . 1.97 113.917 175.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.408 0.2 OUTLIER 86.76 -92.43 0.01 OUTLIER 'General case' 3 N--CA 1.619 7.999 0 C-N-CA 131.394 3.878 . . . . 3.08 109.627 -177.829 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.4 m 59.75 70.99 0.6 Allowed 'General case' 3 N--CA 1.663 10.192 0 CA-C-N 123.894 3.043 . . . . 1.7 108.882 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.291 69.2 p -104.36 -112.18 0.25 Allowed 'General case' 3 N--CA 1.644 9.255 0 C-N-CA 126.977 2.111 . . . . 3.52 112.556 -172.844 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.9 m -70.05 -37.06 75.44 Favored 'General case' 3 N--CA 1.64 9.058 0 CA-C-N 123.866 3.03 . . . . 3.4 114.07 -177.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.0 t -137.61 131.56 31.75 Favored 'General case' 3 N--CA 1.621 8.097 0 C-N-CA 126.972 2.109 . . . . 3.13 112.256 -178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.7 t -107.4 140.81 39.76 Favored 'General case' 3 N--CA 1.634 8.758 0 C-N-CA 126.604 1.962 . . . . 1.15 109.445 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.18 47.93 1.16 Allowed 'General case' 3 N--CA 1.625 8.277 0 C-N-CA 125.795 1.638 . . . . 1.37 110.557 176.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 80.8 m -123.09 -126.29 0.26 Allowed 'General case' 3 N--CA 1.624 8.227 0 C-N-CA 127.362 2.265 . . . . 1.0 108.168 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -132.86 -62.44 0.81 Allowed 'General case' 3 N--CA 1.608 7.447 0 C-N-CA 128.67 2.788 . . . . 3.01 106.249 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -133.68 -61.84 0.79 Allowed 'General case' 3 N--CA 1.615 7.801 0 C-N-CA 127.5 2.32 . . . . 2.01 109.503 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . 0.329 2.8 m 83.42 151.12 0.09 Allowed 'General case' 3 N--CA 1.658 9.941 0 C-N-CA 130.893 3.677 . . . . 1.55 112.727 -179.937 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -105.86 66.71 0.73 Allowed 'General case' 3 N--CA 1.625 8.319 0 N-CA-C 105.387 -2.079 . . . . 4.45 105.387 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . 0.253 79.8 m -116.27 -120.45 0.31 Allowed 'General case' 3 N--CA 1.638 8.948 0 CA-C-O 114.927 -2.463 . . . . 1.68 111.205 -174.832 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . 0.255 39.2 p -103.04 -82.39 0.49 Allowed 'General case' 3 N--CA 1.642 9.148 0 CA-C-N 125.062 3.574 . . . . 1.94 108.928 -177.352 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.2 t -83.14 1.45 40.41 Favored 'General case' 3 N--CA 1.647 9.413 0 CA-C-N 123.269 2.758 . . . . 2.01 112.145 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 56.0 m -74.69 -64.2 1.09 Allowed 'General case' 3 N--CA 1.631 8.592 0 C-N-CA 127.925 2.49 . . . . 1.77 105.996 176.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.2 tttt . . . . . 3 N--CA 1.649 9.482 0 C-N-CA 127.619 2.368 . . . . 4.9 111.648 171.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ' CD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_