data_1etf_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 1etf _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 ' 41' ' ' ' G' . . . . . 0.758 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 100.273 -2.427 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ' G' . . . . . 0.758 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.347 -2.353 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ' U' . . . . . 0.808 HO2' " H5'" ' A' ' 44' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.009 2.809 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ' C' . . . . . 0.808 " H5'" HO2' ' A' ' 43' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.612 3.412 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ' U' . . . . . 1.201 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 O4'-C1'-N19 111.327 3.127 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ' G' . . . . . 0.898 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.669 3.469 . 0.523 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ' G' . . . . . 1.341 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 C4'-C3'-C2' 99.737 -2.963 . 0.195 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ' G' . . . . . 0.699 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 O4'-C1'-N19 111.477 3.277 . 0.333 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ' C' . . . . . 0.599 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 O4'-C1'-N19 112.185 3.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ' G' . . . . . 1.007 HO2' " H5'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 100.137 -2.563 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ' C' . . . . . 1.007 " H5'" HO2' ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.252 1 O4'-C1'-N19 112.419 4.219 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ' A' . . . . . 0.522 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 100.445 -2.255 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ' G' . . . . . 0.657 HO2' " H5'" ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 100.249 -2.451 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ' C' . . . . . 0.767 HO2' " H5'" ' A' ' 55' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 O4'-C1'-N19 111.565 3.365 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ' G' . . . . . 0.767 " H5'" HO2' ' A' ' 54' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C4'-C3'-C2' 99.265 -3.435 . 0.695 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' C' . . . . . 0.648 HO2' ' H8 ' ' A' ' 57' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.926 1 O4'-C1'-N19 113.465 5.265 . 0.05 1o . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' A' . . . . . 0.738 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 P-O3'-C3' 122.491 2.326 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ' A' . . . . . 1.247 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 112.498 -2.001 . 0.346 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ' G' . . . . . 1.247 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C5'-C4'-C3' 112.09 -2.273 . 0.288 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ' C' . . . . . 0.597 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.894 0 O4'-C1'-N19 111.796 3.596 . 0.823 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ' U' . . . . . 0.597 " H5'" " O2'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 O4'-C1'-N19 110.488 2.288 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ' G' . . . . . 0.675 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 110.015 1.815 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 112.369 4.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ' C' . . . . . 0.742 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 112.062 3.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ' G' . . . . . 0.996 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 C4'-C3'-C2' 100.44 -2.26 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ' G' . . . . . 0.996 " H2'" " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.445 3.245 . 0.016 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ' U' . . . . . 0.889 ' OP2' ' NH2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 O4'-C1'-N19 112.59 4.39 . 0.674 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C5'-C4'-C3' 111.396 -2.736 . 0.555 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.743 3.543 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ' A' . . . . . 0.415 " O2'" " H5'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C4'-C3'-C2' 100.246 -2.454 . 0.735 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' G' . . . . . 0.471 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.097 -2.603 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ' G' . . . . . 0.959 HO2' " H5'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C4'-C3'-C2' 100.008 -2.692 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ' C' . . . . . 0.959 " H5'" HO2' ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.98 0 O4'-C1'-N19 111.953 3.753 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ' C' . . . . . 0.552 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 112.122 3.922 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -140.85 169.02 18.41 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.321 1.048 . . . . 0.0 108.903 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.952 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 24.9 mtp-105 -60.3 -46.96 88.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLN . . . . . 1.341 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 4.4 mp0 -55.84 -55.5 31.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . 0.58 ' HB1' " H3'" ' A' ' 46' ' ' ' G' . . . -52.31 -46.05 65.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.685 0.394 . . . . 0.0 109.939 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.623 ' HD3' HH21 ' B' ' 42' ' ' ARG . 44.4 ttm180 -64.22 -46.23 84.79 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ARG . . . . . 0.952 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 53.1 mmm-85 -58.15 -58.49 8.21 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.768 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 63.2 m-20 -53.14 -45.53 68.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.474 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 37.9 ttm180 -66.23 -53.88 31.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.623 HH21 ' HD3' ' B' ' 38' ' ' ARG . 60.2 ttm-85 -54.73 -42.03 71.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.4 ' HD2' H5'' ' A' ' 72' ' ' ' U' . 67.2 ttp85 -56.45 -35.35 67.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 1.201 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 30.1 mmt180 -64.81 -53.03 53.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.74 -52.13 66.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.889 ' NH2' ' OP2' ' A' ' 72' ' ' ' U' . 0.1 OUTLIER -57.49 -56.12 25.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . 1.017 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 87.7 tt0 -62.56 -41.67 99.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.706 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.6 OUTLIER -57.36 -55.16 38.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -53.94 -27.22 29.64 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 1.017 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 17.6 tpp180 -58.57 -52.48 65.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . 0.686 ' O ' ' CB ' ' B' ' 55' ' ' ARG . . . -56.49 -51.05 69.93 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -54.49 45.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.86 -56.44 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.83 88.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ARG . . . . . 0.686 ' CB ' ' O ' ' B' ' 51' ' ' ALA . 57.7 ttt85 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ' G' . . . . . 0.731 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 100.273 -2.427 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ' G' . . . . . 0.731 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.347 -2.353 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ' U' . . . . . 0.627 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.009 2.809 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ' C' . . . . . 0.401 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.612 3.412 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ' U' . . . . . 1.201 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 O4'-C1'-N19 111.327 3.127 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ' G' . . . . . 0.88 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.669 3.469 . 0.523 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ' G' . . . . . 1.332 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 C4'-C3'-C2' 99.737 -2.963 . 0.195 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ' G' . . . . . 0.685 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 O4'-C1'-N19 111.477 3.277 . 0.333 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ' C' . . . . . 0.576 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 O4'-C1'-N19 112.185 3.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ' G' . . . . . 0.576 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 100.137 -2.563 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ' C' . . . . . 0.5 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.252 1 O4'-C1'-N19 112.419 4.219 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ' A' . . . . . 0.5 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 100.445 -2.255 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ' G' . . . . . 0.432 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 100.249 -2.451 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 O4'-C1'-N19 111.565 3.365 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C4'-C3'-C2' 99.265 -3.435 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 1 O4'-C1'-N19 113.465 5.265 . 0.05 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' A' . . . . . 0.721 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 P-O3'-C3' 122.491 2.326 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ' A' . . . . . 1.259 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 112.498 -2.001 . 0.346 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ' G' . . . . . 1.259 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C5'-C4'-C3' 112.09 -2.273 . 0.288 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ' C' . . . . . 0.575 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.894 0 O4'-C1'-N19 111.796 3.596 . 0.823 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ' U' . . . . . 0.575 " H5'" " O2'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 O4'-C1'-N19 110.488 2.288 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ' G' . . . . . 0.673 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 110.015 1.815 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 112.369 4.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ' C' . . . . . 0.749 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 112.062 3.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ' G' . . . . . 0.933 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 C4'-C3'-C2' 100.44 -2.26 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ' G' . . . . . 0.933 " H2'" " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.445 3.245 . 0.016 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ' U' . . . . . 0.889 ' OP2' ' NH2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 O4'-C1'-N19 112.59 4.39 . 0.674 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C5'-C4'-C3' 111.396 -2.736 . 0.555 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.743 3.543 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C4'-C3'-C2' 100.246 -2.454 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' G' . . . . . 0.457 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.097 -2.603 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ' G' . . . . . 0.457 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C4'-C3'-C2' 100.008 -2.692 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ' C' . . . . . 0.525 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.98 0 O4'-C1'-N19 111.953 3.753 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ' C' . . . . . 0.525 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 112.122 3.922 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -140.85 169.02 18.41 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.321 1.048 . . . . 0.0 108.903 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.964 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 24.9 mtp-105 -60.3 -46.96 88.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLN . . . . . 1.332 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 4.4 mp0 -55.84 -55.5 31.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.591 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -52.31 -46.05 65.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.685 0.394 . . . . 0.0 109.939 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.633 ' HD3' HH21 ' B' ' 42' ' ' ARG . 44.4 ttm180 -64.22 -46.23 84.79 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ARG . . . . . 0.964 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 53.1 mmm-85 -58.15 -58.49 8.21 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.918 ' ND2' ' O6 ' ' A' ' 47' ' ' ' G' . 9.6 m120 -53.14 -45.53 68.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 37.9 ttm180 -66.23 -53.88 31.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.633 HH21 ' HD3' ' B' ' 38' ' ' ARG . 60.2 ttm-85 -54.73 -42.03 71.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -56.45 -35.35 67.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 1.201 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 30.1 mmt180 -64.81 -53.03 53.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.74 -52.13 66.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.889 ' NH2' ' OP2' ' A' ' 72' ' ' ' U' . 0.1 OUTLIER -57.49 -56.12 25.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . 1.033 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 87.7 tt0 -62.56 -41.67 99.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.724 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.6 OUTLIER -57.36 -55.16 38.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -53.94 -27.22 29.64 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 1.033 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 17.6 tpp180 -58.57 -52.48 65.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . 0.686 ' O ' ' CB ' ' B' ' 55' ' ' ARG . . . -56.49 -51.05 69.93 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -54.49 45.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.86 -56.44 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.83 88.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ARG . . . . . 0.686 ' CB ' ' O ' ' B' ' 51' ' ' ALA . 57.7 ttt85 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ' G' . . . . . 0.731 " O2'" " H5'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 C4'-C3'-C2' 100.273 -2.427 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ' G' . . . . . 0.731 " H5'" " O2'" ' A' ' 41' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 C4'-C3'-C2' 100.347 -2.353 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ' U' . . . . . 0.627 " H5'" " O2'" ' A' ' 42' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.009 2.809 . 0.587 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ' C' . . . . . 0.401 " O2'" " H5'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.612 3.412 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ' U' . . . . . 1.201 ' O4 ' ' NH2' ' B' ' 44' ' ' ARG . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 O4'-C1'-N19 111.327 3.127 . 0.639 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ' G' . . . . . 0.88 " H5'" " O2'" ' A' ' 45' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.669 3.469 . 0.523 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ' G' . . . . . 1.332 ' N7 ' ' HB3' ' B' ' 36' ' ' GLN . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 C4'-C3'-C2' 99.737 -2.963 . 0.195 4a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ' G' . . . . . 0.685 " H5'" " O2'" ' A' ' 47' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 O4'-C1'-N19 111.477 3.277 . 0.333 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ' C' . . . . . 0.576 " O2'" " H5'" ' A' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 O4'-C1'-N19 112.185 3.985 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ' G' . . . . . 0.576 " H5'" " O2'" ' A' ' 49' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 100.137 -2.563 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ' C' . . . . . 0.5 " O2'" " H5'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.252 1 O4'-C1'-N19 112.419 4.219 . 0.674 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ' A' . . . . . 0.5 " H5'" " O2'" ' A' ' 51' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C4'-C3'-C2' 100.445 -2.255 . 0.658 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ' G' . . . . . 0.432 " H5'" " O2'" ' A' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 100.249 -2.451 . 0.674 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 O4'-C1'-N19 111.565 3.365 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.848 0 C4'-C3'-C2' 99.265 -3.435 . 0.695 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 1 O4'-C1'-N19 113.465 5.265 . 0.05 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' A' . . . . . 0.721 " H2'" ' C8 ' ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.42 -2.719 0 P-O3'-C3' 122.491 2.326 . 0.017 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ' A' . . . . . 1.259 " O2'" " H5'" ' A' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.684 0 C5'-C4'-C3' 112.498 -2.001 . 0.346 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ' G' . . . . . 1.259 " H5'" " O2'" ' A' ' 58' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.418 -2.95 0 C5'-C4'-C3' 112.09 -2.273 . 0.288 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ' C' . . . . . 0.575 " O2'" " H5'" ' A' ' 66' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.418 -2.894 0 O4'-C1'-N19 111.796 3.596 . 0.823 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ' U' . . . . . 0.575 " H5'" " O2'" ' A' ' 65' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 O4'-C1'-N19 110.488 2.288 . 0.667 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ' G' . . . . . 0.673 ' H8 ' " O5'" ' A' ' 67' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.422 -2.562 0 O4'-C1'-N19 110.015 1.815 . 0.351 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.59 1 O4'-C1'-N19 112.369 4.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ' C' . . . . . 0.749 ' N4 ' HH12 ' B' ' 39' ' ' ARG . . . . . . . . 0 O4'--C4' 1.418 -2.905 0 O4'-C1'-N19 112.062 3.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ' G' . . . . . 0.933 " H3'" " H2'" ' A' ' 71' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 C4'-C3'-C2' 100.44 -2.26 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ' G' . . . . . 0.933 " H2'" " H3'" ' A' ' 70' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.421 -2.675 0 O4'-C1'-N19 111.445 3.245 . 0.016 5p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ' U' . . . . . 0.889 ' OP2' ' NH2' ' B' ' 46' ' ' ARG . . . . . . . . 0 O4'--C4' 1.42 -2.736 1 O4'-C1'-N19 112.59 4.39 . 0.674 6p . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.749 0 C5'-C4'-C3' 111.396 -2.736 . 0.555 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.846 0 O4'-C1'-N19 111.743 3.543 . 0.677 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C4'-C3'-C2' 100.246 -2.454 . 0.735 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' G' . . . . . 0.457 " O2'" " H5'" ' A' ' 77' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.097 -2.603 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ' G' . . . . . 0.457 " H5'" " O2'" ' A' ' 76' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 C4'-C3'-C2' 100.008 -2.692 . 0.579 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ' C' . . . . . 0.525 " O2'" " H5'" ' A' ' 79' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.417 -2.98 0 O4'-C1'-N19 111.953 3.753 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ' C' . . . . . 0.525 " H5'" " O2'" ' A' ' 78' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.42 -2.759 0 O4'-C1'-N19 112.122 3.922 . 0.468 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 77.5 p -140.85 169.02 18.41 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.321 1.048 . . . . 0.0 108.903 177.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.964 ' O ' ' HG2' ' B' ' 39' ' ' ARG . 24.9 mtp-105 -60.3 -46.96 88.03 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLN . . . . . 1.332 ' HB3' ' N7 ' ' A' ' 47' ' ' ' G' . 4.4 mp0 -55.84 -55.5 31.73 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.591 ' HB2' " H3'" ' A' ' 46' ' ' ' G' . . . -52.31 -46.05 65.81 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.685 0.394 . . . . 0.0 109.939 -179.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.633 ' HD3' HH21 ' B' ' 42' ' ' ARG . 44.4 ttm180 -64.22 -46.23 84.79 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.964 ' HG2' ' O ' ' B' ' 35' ' ' ARG . 53.1 mmm-85 -58.15 -58.49 8.21 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 177.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.768 ' OD1' ' O6 ' ' A' ' 47' ' ' ' G' . 63.2 m-20 -53.14 -45.53 68.44 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' B' ' 44' ' ' ARG . 37.9 ttm180 -66.23 -53.88 31.75 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.633 HH21 ' HD3' ' B' ' 38' ' ' ARG . 60.2 ttm-85 -54.73 -42.03 71.07 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -56.45 -35.35 67.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 1.201 ' NH2' ' O4 ' ' A' ' 45' ' ' ' U' . 30.1 mmt180 -64.81 -53.03 53.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -57.74 -52.13 66.72 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.889 ' NH2' ' OP2' ' A' ' 72' ' ' ' U' . 0.1 OUTLIER -57.49 -56.12 25.97 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . 1.033 ' O ' ' HB3' ' B' ' 50' ' ' ARG . 87.7 tt0 -62.56 -41.67 99.06 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -176.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.724 ' HB2' ' O ' ' B' ' 44' ' ' ARG . 0.6 OUTLIER -57.36 -55.16 38.36 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -53.94 -27.22 29.64 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 1.033 ' HB3' ' O ' ' B' ' 47' ' ' GLU . 17.6 tpp180 -58.57 -52.48 65.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . 0.686 ' O ' ' CB ' ' B' ' 55' ' ' ARG . . . -56.49 -51.05 69.93 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.73 -54.49 45.78 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.86 -56.44 20.56 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.83 88.82 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.686 ' CB ' ' O ' ' B' ' 51' ' ' ALA . 57.7 ttt85 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.933 . . . . . . . . 1 1 . 1 stop_ save_