data_1kis_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 1kis _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' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.945 0 C1'-O4'-C4' 111.012 1.569 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' A' . . . . . 0.468 ' N1 ' ' C6 ' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.934 0 C1'-O4'-C4' 111.005 1.561 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' G' . . . . . 0.468 ' C6 ' ' N1 ' ' A' ' 2' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C1'-O4'-C4' 110.998 1.553 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.441 ' N4 ' ' O6 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C1'-O4'-C4' 111.049 1.61 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.954 0 C1'-O4'-C4' 111.117 1.686 . 0.197 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C1'-O4'-C4' 111.061 1.624 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' U' . . . . . 0.4 ' N3 ' ' N7 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.096 0 O4'-C1'-N19 109.646 1.446 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' G' . . . . . 0.446 ' O6 ' ' N4 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.919 0 C1'-O4'-C4' 111.019 1.576 . 0.24 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' G' . . . . . 0.46 ' O6 ' ' N4 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.082 0 C1'-O4'-C4' 110.858 1.398 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' G' . . . . . 0.442 ' O6 ' ' N4 ' ' B' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.991 0 C1'-O4'-C4' 110.926 1.473 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.431 ' C4 ' ' C2 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.049 0 C2'-C3'-O3' 107.098 -1.394 . 0.296 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.15 0 C1'-O4'-C4' 110.878 1.42 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.538 ' C6 ' ' C4 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.139 0 O4'-C4'-C3' 103.307 -1.566 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.172 0 O4'-C4'-C3' 103.438 -1.473 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.354 0 O4'-C4'-C3' 102.876 -1.874 . 0.072 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 C4'-C3'-C2' 101.106 -1.594 . 0.152 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ' G' . . . . . 0.529 ' C6 ' ' C4 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.071 0 C1'-O4'-C4' 110.852 1.391 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ' C' . . . . . 0.529 ' C4 ' ' C6 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C4'-C3'-O3' 107.026 -1.374 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.051 0 C1'-O4'-C4' 110.884 1.427 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.093 0 C2'-C3'-O3' 107.15 -1.375 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C3'-C2'-C1' 103.086 1.762 . 0.026 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C3'-C2'-C1' 103.041 1.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ' C' . . . . . 0.442 ' N4 ' ' O6 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C3'-C2'-C1' 103.042 1.714 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ' C' . . . . . 0.46 ' N4 ' ' O6 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C1'-O4'-C4' 111.263 1.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ' C' . . . . . 0.5 ' C4 ' ' N7 ' ' B' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.972 0 C1'-O4'-C4' 111.159 1.733 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ' A' . . . . . 0.546 ' C2 ' ' C4 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.906 0 C1'-O4'-C4' 111.051 1.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ' G' . . . . . 0.563 ' C6 ' ' C2 ' ' B' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C2'-C3'-O3' 106.996 -1.43 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ' A' . . . . . 0.563 ' C2 ' ' C6 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.018 0 C1'-O4'-C4' 110.973 1.525 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ' C' . . . . . 0.444 ' N4 ' ' C6 ' ' B' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C2'-C3'-O3' 107.083 -1.399 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C2'-C3'-O3' 106.8 -1.5 . 0.052 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.155 0 C2'-C3'-O3' 107.135 -1.38 . 0.061 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 101.408 -1.292 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.945 0 C1'-O4'-C4' 111.012 1.569 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' A' . . . . . 0.468 ' N1 ' ' C6 ' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.934 0 C1'-O4'-C4' 111.005 1.561 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' G' . . . . . 0.468 ' C6 ' ' N1 ' ' A' ' 2' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C1'-O4'-C4' 110.998 1.553 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.441 ' N4 ' ' O6 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C1'-O4'-C4' 111.049 1.61 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.954 0 C1'-O4'-C4' 111.117 1.686 . 0.197 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C1'-O4'-C4' 111.061 1.624 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' U' . . . . . 0.4 ' N3 ' ' N7 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.096 0 O4'-C1'-N19 109.646 1.446 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' G' . . . . . 0.446 ' O6 ' ' N4 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.919 0 C1'-O4'-C4' 111.019 1.576 . 0.24 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' G' . . . . . 0.46 ' O6 ' ' N4 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.082 0 C1'-O4'-C4' 110.858 1.398 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' G' . . . . . 0.442 ' O6 ' ' N4 ' ' B' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.991 0 C1'-O4'-C4' 110.926 1.473 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.431 ' C4 ' ' C2 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.049 0 C2'-C3'-O3' 107.098 -1.394 . 0.296 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.15 0 C1'-O4'-C4' 110.878 1.42 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.538 ' C6 ' ' C4 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.139 0 O4'-C4'-C3' 103.307 -1.566 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.172 0 O4'-C4'-C3' 103.438 -1.473 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.354 0 O4'-C4'-C3' 102.876 -1.874 . 0.072 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 C4'-C3'-C2' 101.106 -1.594 . 0.152 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ' G' . . . . . 0.529 ' C6 ' ' C4 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.071 0 C1'-O4'-C4' 110.852 1.391 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ' C' . . . . . 0.529 ' C4 ' ' C6 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C4'-C3'-O3' 107.026 -1.374 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.051 0 C1'-O4'-C4' 110.884 1.427 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.093 0 C2'-C3'-O3' 107.15 -1.375 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C3'-C2'-C1' 103.086 1.762 . 0.026 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C3'-C2'-C1' 103.041 1.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ' C' . . . . . 0.442 ' N4 ' ' O6 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C3'-C2'-C1' 103.042 1.714 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ' C' . . . . . 0.46 ' N4 ' ' O6 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C1'-O4'-C4' 111.263 1.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ' C' . . . . . 0.5 ' C4 ' ' N7 ' ' B' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.972 0 C1'-O4'-C4' 111.159 1.733 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ' A' . . . . . 0.546 ' C2 ' ' C4 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.906 0 C1'-O4'-C4' 111.051 1.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ' G' . . . . . 0.563 ' C6 ' ' C2 ' ' B' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C2'-C3'-O3' 106.996 -1.43 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ' A' . . . . . 0.563 ' C2 ' ' C6 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.018 0 C1'-O4'-C4' 110.973 1.525 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ' C' . . . . . 0.444 ' N4 ' ' C6 ' ' B' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C2'-C3'-O3' 107.083 -1.399 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C2'-C3'-O3' 106.8 -1.5 . 0.052 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.155 0 C2'-C3'-O3' 107.135 -1.38 . 0.061 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 101.408 -1.292 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.945 0 C1'-O4'-C4' 111.012 1.569 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' A' . . . . . 0.468 ' N1 ' ' C6 ' ' A' ' 3' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.934 0 C1'-O4'-C4' 111.005 1.561 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' G' . . . . . 0.468 ' C6 ' ' N1 ' ' A' ' 2' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.046 0 C1'-O4'-C4' 110.998 1.553 . 0.04 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.441 ' N4 ' ' O6 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.428 -2.06 0 C1'-O4'-C4' 111.049 1.61 . 0.311 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.954 0 C1'-O4'-C4' 111.117 1.686 . 0.197 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.937 0 C1'-O4'-C4' 111.061 1.624 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' U' . . . . . 0.4 ' N3 ' ' N7 ' ' A' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.096 0 O4'-C1'-N19 109.646 1.446 . 0.015 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' G' . . . . . 0.446 ' O6 ' ' N4 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.437 1.919 0 C1'-O4'-C4' 111.019 1.576 . 0.24 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' G' . . . . . 0.46 ' O6 ' ' N4 ' ' B' ' 24' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.082 0 C1'-O4'-C4' 110.858 1.398 . 0.11 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' G' . . . . . 0.442 ' O6 ' ' N4 ' ' B' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.438 1.991 0 C1'-O4'-C4' 110.926 1.473 . 0.019 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.431 ' C4 ' ' C2 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.439 2.049 0 C2'-C3'-O3' 107.098 -1.394 . 0.296 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.15 0 C1'-O4'-C4' 110.878 1.42 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.538 ' C6 ' ' C4 ' ' A' ' 14' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.44 2.139 0 O4'-C4'-C3' 103.307 -1.566 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' C' . . . . . 0.538 ' C4 ' ' C6 ' ' A' ' 13' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.44 2.172 0 O4'-C4'-C3' 103.438 -1.473 . 0.151 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.354 0 O4'-C4'-C3' 102.876 -1.874 . 0.072 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.263 0 C4'-C3'-C2' 101.106 -1.594 . 0.152 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ' G' . . . . . 0.529 ' C6 ' ' C4 ' ' B' ' 18' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.439 2.071 0 C1'-O4'-C4' 110.852 1.391 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ' C' . . . . . 0.529 ' C4 ' ' C6 ' ' B' ' 17' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C4'-C3'-O3' 107.026 -1.374 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.051 0 C1'-O4'-C4' 110.884 1.427 . 0.271 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 2.093 0 C2'-C3'-O3' 107.15 -1.375 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C3'-C2'-C1' 103.086 1.762 . 0.026 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 C3'-C2'-C1' 103.041 1.713 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ' C' . . . . . 0.442 ' N4 ' ' O6 ' ' A' ' 10' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.427 -2.126 0 C3'-C2'-C1' 103.042 1.714 . 0.06 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ' C' . . . . . 0.46 ' N4 ' ' O6 ' ' A' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.426 -2.231 0 C1'-O4'-C4' 111.263 1.848 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ' C' . . . . . 0.5 ' C4 ' ' N7 ' ' B' ' 26' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.438 1.972 0 C1'-O4'-C4' 111.159 1.733 . 0.0 OUTLIER zeta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ' A' . . . . . 0.546 ' C2 ' ' C4 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.437 1.906 0 C1'-O4'-C4' 111.051 1.612 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ' G' . . . . . 0.563 ' C6 ' ' C2 ' ' B' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.428 -2.068 0 C2'-C3'-O3' 106.996 -1.43 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ' A' . . . . . 0.563 ' C2 ' ' C6 ' ' B' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.438 2.018 0 C1'-O4'-C4' 110.973 1.525 . 0.227 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ' C' . . . . . 0.444 ' N4 ' ' C6 ' ' B' ' 28' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 C2'-C3'-O3' 107.083 -1.399 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.087 0 C2'-C3'-O3' 106.8 -1.5 . 0.052 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.44 2.155 0 C2'-C3'-O3' 107.135 -1.38 . 0.061 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.128 0 C4'-C3'-C2' 101.408 -1.292 . 0.437 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_