data_2kk5_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 2kk5 _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' ' ' ' DA' . . . . . 0.617 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.43 -0.607 0 O5'-C5'-C4' 111.047 0.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.489 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C1'-O4'-C4' 107.408 -1.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.492 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 103.854 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.492 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C3'-C2'-C1' 105.934 2.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . 0.568 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 105.2 1.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' 2AU . . . . . 0.568 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.619 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 O5'-C5'-C4' 111.03 0.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.492 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.528 0.958 0 C1'-O4'-C4' 107.433 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.501 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C4'-C3' 106.436 0.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.501 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 105.921 2.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.561 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 105.139 1.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' 2AU . . . . . 0.561 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' AQC . . . . . 0.619 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' AQC . . . . . 0.617 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . 0.616 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O5'-C5'-C4' 111.053 0.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.489 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-C1' 104.97 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.491 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C4'-C3' 106.395 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.491 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 105.94 2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . 0.574 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 105.204 1.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' 2AU . . . . . 0.574 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.62 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 O5'-C5'-C4' 111.045 0.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.493 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 104.991 1.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.501 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C3'-C2'-C1' 103.853 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.501 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C3'-C2'-C1' 105.948 2.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.567 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C3'-C2'-C1' 105.192 1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' 2AU . . . . . 0.567 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' AQC . . . . . 0.62 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' AQC . . . . . 0.616 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' DA' . . . . . 0.617 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.585 0 O5'-C5'-C4' 111.037 0.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' DC' . . . . . 0.488 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C1'-O4'-C4' 107.426 -1.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' DG' . . . . . 0.493 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C4'-C3' 106.424 0.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' DC' . . . . . 0.493 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C3'-C2'-C1' 105.882 2.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' DG' . . . . . 0.573 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C3'-C2'-C1' 105.153 1.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' 2AU . . . . . 0.573 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.62 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 O5'-C5'-C4' 111.064 0.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.493 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C3'-C2'-C1' 104.983 1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.501 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C4'-C3' 106.476 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.501 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C3'-C2'-C1' 105.918 2.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.567 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 105.179 1.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' 2AU . . . . . 0.567 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' AQC . . . . . 0.62 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' AQC . . . . . 0.617 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.608 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.43 -0.607 0 O5'-C5'-C4' 111.047 0.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.489 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C1'-O4'-C4' 107.408 -1.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.535 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 103.854 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.535 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C3'-C2'-C1' 105.934 2.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . 0.562 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 105.2 1.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' 2AU . . . . . 0.562 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.617 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 O5'-C5'-C4' 111.03 0.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.492 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.528 0.958 0 C1'-O4'-C4' 107.433 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.51 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C4'-C3' 106.436 0.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.51 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 105.921 2.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.553 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 105.139 1.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' 2AU . . . . . 0.553 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' AQC . . . . . 0.617 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' AQC . . . . . 0.608 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.607 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O5'-C5'-C4' 111.053 0.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.489 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-C1' 104.97 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.536 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C4'-C3' 106.395 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.536 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 105.94 2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . 0.568 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 105.204 1.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' 2AU . . . . . 0.568 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.618 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 O5'-C5'-C4' 111.045 0.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.493 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 104.991 1.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.509 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C3'-C2'-C1' 103.853 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.509 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C3'-C2'-C1' 105.948 2.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.556 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C3'-C2'-C1' 105.192 1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' 2AU . . . . . 0.556 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' AQC . . . . . 0.618 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' AQC . . . . . 0.607 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' DA' . . . . . 0.607 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.585 0 O5'-C5'-C4' 111.037 0.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' DC' . . . . . 0.488 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C1'-O4'-C4' 107.426 -1.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' DG' . . . . . 0.536 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C4'-C3' 106.424 0.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' DC' . . . . . 0.536 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C3'-C2'-C1' 105.882 2.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' DG' . . . . . 0.568 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C3'-C2'-C1' 105.153 1.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' 2AU . . . . . 0.568 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.616 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 O5'-C5'-C4' 111.064 0.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.493 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C3'-C2'-C1' 104.983 1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DG' . . . . . 0.511 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C4'-C3' 106.476 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.511 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C3'-C2'-C1' 105.918 2.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.557 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 105.179 1.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' 2AU . . . . . 0.557 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' AQC . . . . . 0.616 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' AQC . . . . . 0.607 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.608 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.43 -0.607 0 O5'-C5'-C4' 111.047 0.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.489 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C1'-O4'-C4' 107.408 -1.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.535 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 C3'-C2'-C1' 103.854 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.535 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C3'-C2'-C1' 105.934 2.31 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . 0.562 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 105.2 1.785 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' 2AU . . . . . 0.562 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.617 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 O5'-C5'-C4' 111.03 0.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.492 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.528 0.958 0 C1'-O4'-C4' 107.433 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.51 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C4'-C3' 106.436 0.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.51 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 105.921 2.301 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.553 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 105.139 1.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' 2AU . . . . . 0.553 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' AQC . . . . . 0.617 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' AQC . . . . . 0.608 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.607 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O5'-C5'-C4' 111.053 0.609 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.489 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 C3'-C2'-C1' 104.97 1.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.536 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C4'-C3' 106.395 0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.536 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 105.94 2.314 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . 0.568 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 105.204 1.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' 2AU . . . . . 0.568 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.618 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 O5'-C5'-C4' 111.045 0.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.493 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 104.991 1.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.509 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C3'-C2'-C1' 103.853 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.509 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C3'-C2'-C1' 105.948 2.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.556 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C3'-C2'-C1' 105.192 1.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' 2AU . . . . . 0.556 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' AQC . . . . . 0.618 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' AQC . . . . . 0.607 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' DA' . . . . . 0.607 " H2'" ' H5 ' ' B' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.585 0 O5'-C5'-C4' 111.037 0.598 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' DC' . . . . . 0.488 " O5'" " C2'" ' A' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C1'-O4'-C4' 107.426 -1.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' DG' . . . . . 0.536 " H1'" " H5'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C4'-C3' 106.424 0.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.536 " H5'" " H1'" ' A' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C3'-C2'-C1' 105.882 2.273 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' DG' . . . . . 0.568 " H1'" ' C6 ' ' A' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C3'-C2'-C1' 105.153 1.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' 2AU . . . . . 0.568 ' C6 ' " H1'" ' A' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.616 " H2'" ' H5 ' ' A' ' 7' ' ' AQC . . . . . . . . 0 O5'--C5' 1.431 -0.562 0 O5'-C5'-C4' 111.064 0.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.493 " O5'" " C2'" ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.408 -0.922 0 C3'-C2'-C1' 104.983 1.631 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.511 " H1'" " H5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C4'-C3' 106.476 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.511 " H5'" " H1'" ' B' ' 3' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C3'-C2'-C1' 105.918 2.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.557 " H1'" ' C6 ' ' B' ' 6' ' ' 2AU . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 C3'-C2'-C1' 105.179 1.771 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' 2AU . . . . . 0.557 ' C6 ' " H1'" ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' AQC . . . . . 0.616 ' H5 ' " H2'" ' B' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' AQC . . . . . 0.607 ' H5 ' " H2'" ' A' ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_