data_1a4d_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 1a4d _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 ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O4'-C1'-C2' 108.089 1.206 . 0.0 '__' . 4.2300000000000004 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ' G' . . . . . 0.649 " H2'" ' C6 ' ' A' ' 70' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C4'-C3' 103.724 -1.269 . 0.233 1a . 3.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ' C' . . . . . 0.649 ' C6 ' " H2'" ' A' ' 69' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 103.41 -1.493 . 0.223 1a . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ' C' . . . . . 0.518 " H2'" " O4'" ' A' ' 72' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.939 1.099 . 0.749 1a . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ' G' . . . . . 0.518 " O4'" " H2'" ' A' ' 71' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C4'-C3' 103.87 -1.164 . 0.675 1a . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . 0.539 ' C5 ' ' C2 ' ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C3'-C2'-C1' 100.567 -1.037 . 0.164 1e . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ' U' . . . . . 0.708 " H2'" " O4'" ' A' ' 75' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C4'-C3' 102.868 -1.88 . 0.216 1a . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ' G' . . . . . 0.708 " O4'" " H2'" ' A' ' 74' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C4'-C3' 103.176 -1.66 . 0.425 1a . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.498 " O4'" " H2'" ' A' ' 75' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 O4'-C4'-C3' 103.969 -1.093 . 0.0 OUTLIER gamma 1.6100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-C2' 107.78 0.986 . 0.236 1a . 1.6200000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ' A' . . . . . 0.445 ' C2 ' ' C5 ' ' B' ' 99' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 O4'-C4'-C3' 102.99 -1.793 . 0.0 OUTLIER '7D dist 1a' 1.8100000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ' G' . . . . . 0.545 " H2'" ' C6 ' ' A' ' 80' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C4'-C3' 103.867 -1.166 . 0.574 1a . 1.8500000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ' U' . . . . . 0.545 ' C6 ' " H2'" ' A' ' 79' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-C2'-O2' 108.348 -0.751 . 0.389 1a . 1.98 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ' G' . . . . . 0.556 " H2'" ' C6 ' ' A' ' 82' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 103.353 -1.533 . 0.283 1a . 1.8300000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ' U' . . . . . 0.556 ' C6 ' " H2'" ' A' ' 81' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 108.542 1.53 . 0.732 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ' G' . . . . . 0.498 ' N1 ' ' N3 ' ' B' ' 93' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C4'-C3' 102.851 -1.892 . 0.292 1a . 1.26 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 103.385 -1.51 . 0.281 1a . 1.47 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C4'-C3' 103.321 -1.556 . 0.294 1a . 1.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 108.312 1.366 . 0.363 1a . 2.2400000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.067 0 C3'-C2'-C1' 103.178 1.864 . 0.395 1g . 3.3100000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-C2' 107.571 0.836 . 0.0 OUTLIER gamma 3.4399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.119 0 O4'-C1'-C2' 108.904 1.789 . 0.0 '__' . 3.5499999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ' C' . . . . . 0.763 ' H6 ' " O5'" ' B' ' 90' ' ' ' C' . . . . . . . . 0 P--O3' 1.614 0.572 0 OP1-P-O3' 110.387 0.933 . 0.064 9a . 2.3100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ' C' . . . . . 0.436 ' C6 ' " H2'" ' B' ' 90' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C4'-C3' 103.132 -1.692 . 0.152 1a . 2.1899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ' C' . . . . . 0.436 HO2' " H5'" ' B' ' 93' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C4'-C3' 103.503 -1.426 . 0.291 1a . 2.1699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ' C' . . . . . 0.501 " H2'" " O4'" ' B' ' 94' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.789 0.992 . 0.467 1a . 2.1000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ' A' . . . . . 0.648 ' C2 ' ' C2 ' ' B' ' 95' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C4'-C3' 103.069 -1.737 . 0.805 1a . 1.6000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ' U' . . . . . 0.648 ' C2 ' ' C2 ' ' B' ' 94' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 103.187 -1.652 . 0.756 1a . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ' G' . . . . . 0.516 ' C5 ' ' C4 ' ' B' ' 97' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 103.218 -1.63 . 0.263 1a . 1.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . 0.516 ' C4 ' ' C5 ' ' B' ' 96' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C4'-C3' 103.365 -1.525 . 0.503 1a . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ' G' . . . . . 0.503 ' C5 ' ' C4 ' ' B' ' 97' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C4'-C3' 103.219 -1.629 . 0.716 1a . 1.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ' A' . . . . . 0.445 ' C5 ' ' C2 ' ' A' ' 78' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 103.838 1.138 . 0.365 1e . 1.8700000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C4'-C3' 102.657 -2.031 . 0.0 OUTLIER gamma 2.48 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' A' . . . . . 0.504 " H2'" " O4'" ' B' ' 102' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C3'-C2'-C1' 100.812 -0.764 . 0.692 1a . 1.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' G' . . . . . 0.526 ' C5 ' ' C5 ' ' B' ' 103' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 102.991 -1.792 . 0.0 OUTLIER gamma 1.26 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . 0.591 " H2'" " O4'" ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 100.514 -1.096 . 0.485 1a . 1.25 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' A' . . . . . 0.591 " O4'" " H2'" ' B' ' 103' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 108.139 1.242 . 0.747 1a . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' G' . . . . . 0.548 " O4'" " H2'" ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 103.633 -1.333 . 0.275 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' G' . . . . . 0.614 " H2'" ' C6 ' ' B' ' 107' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 104.109 -0.993 . 0.334 1a . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . 0.614 ' C6 ' " H2'" ' B' ' 106' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 103.71 -1.279 . 0.248 1a . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . 0.444 ' H6 ' " O5'" ' B' ' 108' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 O4'-C1'-C2' 107.888 1.063 . 0.532 1a . 4.4699999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O4'-C1'-C2' 108.089 1.206 . 0.0 '__' . 3.9 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ' G' . . . . . 0.598 " H2'" ' C6 ' ' A' ' 70' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C4'-C3' 103.724 -1.269 . 0.233 1a . 3.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ' C' . . . . . 0.598 ' C6 ' " H2'" ' A' ' 69' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 103.41 -1.493 . 0.223 1a . 2.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ' C' . . . . . 0.566 " H2'" " O4'" ' A' ' 72' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.939 1.099 . 0.749 1a . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ' G' . . . . . 0.566 " O4'" " H2'" ' A' ' 71' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C4'-C3' 103.87 -1.164 . 0.675 1a . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . 0.539 ' C5 ' ' C2 ' ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C3'-C2'-C1' 100.567 -1.037 . 0.164 1e . 1.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ' U' . . . . . 0.733 " H2'" " O4'" ' A' ' 75' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C4'-C3' 102.868 -1.88 . 0.216 1a . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ' G' . . . . . 0.733 " O4'" " H2'" ' A' ' 74' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C4'-C3' 103.176 -1.66 . 0.425 1a . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.515 " O4'" " H2'" ' A' ' 75' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 O4'-C4'-C3' 103.969 -1.093 . 0.0 OUTLIER gamma 1.61 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ' U' . . . . . 0.412 " H2'" " O4'" ' A' ' 78' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-C2' 107.78 0.986 . 0.236 1a . 1.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ' A' . . . . . 0.445 ' C2 ' ' C5 ' ' B' ' 99' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 O4'-C4'-C3' 102.99 -1.793 . 0.0 OUTLIER '7D dist 1a' 1.73 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ' G' . . . . . 0.505 " H2'" ' C6 ' ' A' ' 80' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C4'-C3' 103.867 -1.166 . 0.574 1a . 1.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ' U' . . . . . 0.507 ' H6 ' " O5'" ' A' ' 80' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-C2'-O2' 108.348 -0.751 . 0.389 1a . 1.89 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ' G' . . . . . 0.517 " H2'" ' C6 ' ' A' ' 82' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 103.353 -1.533 . 0.283 1a . 1.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ' U' . . . . . 0.517 ' C6 ' " H2'" ' A' ' 81' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 108.542 1.53 . 0.732 1a . 1.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ' G' . . . . . 0.498 ' N1 ' ' N3 ' ' B' ' 93' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C4'-C3' 102.851 -1.892 . 0.292 1a . 1.26 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ' G' . . . . . 0.443 " H2'" " O4'" ' A' ' 85' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 103.385 -1.51 . 0.281 1a . 1.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ' G' . . . . . 0.443 " O4'" " H2'" ' A' ' 84' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C4'-C3' 103.321 -1.556 . 0.294 1a . 1.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 108.312 1.366 . 0.363 1a . 2.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.067 0 C3'-C2'-C1' 103.178 1.864 . 0.395 1g . 3.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-C2' 107.571 0.836 . 0.0 OUTLIER gamma 3.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.119 0 O4'-C1'-C2' 108.904 1.789 . 0.0 '__' . 3.55 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ' C' . . . . . 0.759 ' H6 ' " O5'" ' B' ' 90' ' ' ' C' . . . . . . . . 0 P--O3' 1.614 0.572 0 OP1-P-O3' 110.387 0.933 . 0.064 9a . 2.19 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ' C' . . . . . 0.478 ' C6 ' " H2'" ' B' ' 90' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C4'-C3' 103.132 -1.692 . 0.152 1a . 2.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C4'-C3' 103.503 -1.426 . 0.291 1a . 2.17 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ' C' . . . . . 0.565 " H2'" " O4'" ' B' ' 94' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.789 0.992 . 0.467 1a . 2.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ' A' . . . . . 0.648 ' C2 ' ' C2 ' ' B' ' 95' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C4'-C3' 103.069 -1.737 . 0.805 1a . 1.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ' U' . . . . . 0.648 ' C2 ' ' C2 ' ' B' ' 94' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 103.187 -1.652 . 0.756 1a . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ' G' . . . . . 0.516 ' C5 ' ' C4 ' ' B' ' 97' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 103.218 -1.63 . 0.263 1a . 1.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . 0.516 ' C4 ' ' C5 ' ' B' ' 96' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C4'-C3' 103.365 -1.525 . 0.503 1a . 1.64 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ' G' . . . . . 0.503 ' C5 ' ' C4 ' ' B' ' 97' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C4'-C3' 103.219 -1.629 . 0.716 1a . 1.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ' A' . . . . . 0.445 ' C5 ' ' C2 ' ' A' ' 78' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 103.838 1.138 . 0.365 1e . 1.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C4'-C3' 102.657 -2.031 . 0.0 OUTLIER gamma 2.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' A' . . . . . 0.568 " H2'" " O4'" ' B' ' 102' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C3'-C2'-C1' 100.812 -0.764 . 0.692 1a . 1.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' G' . . . . . 0.568 " O4'" " H2'" ' B' ' 101' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 102.991 -1.792 . 0.0 OUTLIER gamma 1.24 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.65 " H2'" " O4'" ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 100.514 -1.096 . 0.485 1a . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' A' . . . . . 0.65 " O4'" " H2'" ' B' ' 103' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 108.139 1.242 . 0.747 1a . 0.97 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' G' . . . . . 0.557 " O4'" " H2'" ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 103.633 -1.333 . 0.275 1a . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' G' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 107' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 104.109 -0.993 . 0.334 1a . 1.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 106' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 103.71 -1.279 . 0.248 1a . 3.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . 0.434 " O5'" ' H6 ' ' B' ' 108' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 O4'-C1'-C2' 107.888 1.063 . 0.532 1a . 4.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.557 0 O4'-C1'-C2' 108.089 1.206 . 0.0 '__' . 3.9 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ' G' . . . . . 0.598 " H2'" ' C6 ' ' A' ' 70' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C4'-C3' 103.724 -1.269 . 0.233 1a . 3.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ' C' . . . . . 0.598 ' C6 ' " H2'" ' A' ' 69' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 103.41 -1.493 . 0.223 1a . 2.4 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ' C' . . . . . 0.566 " H2'" " O4'" ' A' ' 72' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.939 1.099 . 0.749 1a . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ' G' . . . . . 0.566 " O4'" " H2'" ' A' ' 71' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 O4'-C4'-C3' 103.87 -1.164 . 0.675 1a . 1.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . 0.539 ' C5 ' ' C2 ' ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C3'-C2'-C1' 100.567 -1.037 . 0.164 1e . 1.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ' U' . . . . . 0.733 " H2'" " O4'" ' A' ' 75' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C4'-C3' 102.868 -1.88 . 0.216 1a . 1.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ' G' . . . . . 0.733 " O4'" " H2'" ' A' ' 74' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 O4'-C4'-C3' 103.176 -1.66 . 0.425 1a . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.515 " O4'" " H2'" ' A' ' 75' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.653 0 O4'-C4'-C3' 103.969 -1.093 . 0.0 OUTLIER gamma 1.61 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ' U' . . . . . 0.412 " H2'" " O4'" ' A' ' 78' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O4'-C1'-C2' 107.78 0.986 . 0.236 1a . 1.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ' A' . . . . . 0.445 ' C2 ' ' C5 ' ' B' ' 99' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 O4'-C4'-C3' 102.99 -1.793 . 0.0 OUTLIER '7D dist 1a' 1.73 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ' G' . . . . . 0.505 " H2'" ' C6 ' ' A' ' 80' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C4'-C3' 103.867 -1.166 . 0.574 1a . 1.85 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ' U' . . . . . 0.507 ' H6 ' " O5'" ' A' ' 80' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-C2'-O2' 108.348 -0.751 . 0.389 1a . 1.89 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ' G' . . . . . 0.517 " H2'" ' C6 ' ' A' ' 82' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 103.353 -1.533 . 0.283 1a . 1.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ' U' . . . . . 0.517 ' C6 ' " H2'" ' A' ' 81' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.713 0 O4'-C1'-C2' 108.542 1.53 . 0.732 1a . 1.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ' G' . . . . . 0.498 ' N1 ' ' N3 ' ' B' ' 93' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C4'-C3' 102.851 -1.892 . 0.292 1a . 1.26 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ' G' . . . . . 0.443 " H2'" " O4'" ' A' ' 85' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 103.385 -1.51 . 0.281 1a . 1.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ' G' . . . . . 0.443 " O4'" " H2'" ' A' ' 84' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C4'-C3' 103.321 -1.556 . 0.294 1a . 1.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-C2' 108.312 1.366 . 0.363 1a . 2.22 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.067 0 C3'-C2'-C1' 103.178 1.864 . 0.395 1g . 3.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-C2' 107.571 0.836 . 0.0 OUTLIER gamma 3.38 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.119 0 O4'-C1'-C2' 108.904 1.789 . 0.0 '__' . 3.55 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ' C' . . . . . 0.759 ' H6 ' " O5'" ' B' ' 90' ' ' ' C' . . . . . . . . 0 P--O3' 1.614 0.572 0 OP1-P-O3' 110.387 0.933 . 0.064 9a . 2.19 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ' C' . . . . . 0.478 ' C6 ' " H2'" ' B' ' 90' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C4'-C3' 103.132 -1.692 . 0.152 1a . 2.12 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C4'-C3' 103.503 -1.426 . 0.291 1a . 2.17 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ' C' . . . . . 0.565 " H2'" " O4'" ' B' ' 94' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.789 0.992 . 0.467 1a . 2.1 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ' A' . . . . . 0.648 ' C2 ' ' C2 ' ' B' ' 95' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C4'-C3' 103.069 -1.737 . 0.805 1a . 1.6 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ' U' . . . . . 0.648 ' C2 ' ' C2 ' ' B' ' 94' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 O4'-C4'-C3' 103.187 -1.652 . 0.756 1a . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ' G' . . . . . 0.516 ' C5 ' ' C4 ' ' B' ' 97' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 103.218 -1.63 . 0.263 1a . 1.71 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . 0.516 ' C4 ' ' C5 ' ' B' ' 96' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C4'-C3' 103.365 -1.525 . 0.503 1a . 1.64 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ' G' . . . . . 0.503 ' C5 ' ' C4 ' ' B' ' 97' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C4'-C3' 103.219 -1.629 . 0.716 1a . 1.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ' A' . . . . . 0.445 ' C5 ' ' C2 ' ' A' ' 78' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 103.838 1.138 . 0.365 1e . 1.87 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C4'-C3' 102.657 -2.031 . 0.0 OUTLIER gamma 2.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' A' . . . . . 0.568 " H2'" " O4'" ' B' ' 102' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C3'-C2'-C1' 100.812 -0.764 . 0.692 1a . 1.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' G' . . . . . 0.568 " O4'" " H2'" ' B' ' 101' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 102.991 -1.792 . 0.0 OUTLIER gamma 1.24 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.65 " H2'" " O4'" ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 100.514 -1.096 . 0.485 1a . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' A' . . . . . 0.65 " O4'" " H2'" ' B' ' 103' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 108.139 1.242 . 0.747 1a . 0.97 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' G' . . . . . 0.557 " O4'" " H2'" ' B' ' 104' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 103.633 -1.333 . 0.275 1a . 1.13 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' G' . . . . . 0.559 " H2'" ' C6 ' ' B' ' 107' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C4'-C3' 104.109 -0.993 . 0.334 1a . 1.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . 0.559 ' C6 ' " H2'" ' B' ' 106' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 103.71 -1.279 . 0.248 1a . 3.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . 0.434 " O5'" ' H6 ' ' B' ' 108' ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 O4'-C1'-C2' 107.888 1.063 . 0.532 1a . 4.2 . . . . . . . . . . 1 1 . 1 stop_ save_