data_1b69_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 1b69 _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 ' 3' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.712 -0.477 . . . . 4.96 109.712 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.54 126.16 34.19 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.342 -0.984 . . . . 3.02 108.342 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -78.24 168.31 20.03 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.171 -1.048 . . . . 4.4199999999999999 108.171 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -131.53 173.46 11.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.399 -0.813 . . . . 3.1800000000000002 109.775 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.4 p30 -83.97 -164.43 0.93 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 1.5600000000000001 108.77 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 74.3 m-20 -75.48 -0.99 22.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.176 -0.953 . . . . 2.5099999999999998 109.386 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -104.99 -108.02 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.435 -0.791 . . . . 3.4300000000000002 109.552 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.8 15.06 0.61 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.039 -1.624 . . . . 1.05 109.039 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 71.2 mtm180 -82.33 -163.97 0.76 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.57 -0.959 . . . . 2.27 109.22 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -130.78 119.25 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.377 -0.827 . . . . 1.45 109.81 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -89.82 143.41 26.82 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.496 -0.927 . . . . 1.5900000000000001 108.496 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -89.44 160.35 16.82 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.856 -1.152 . . . . 2.6400000000000001 109.058 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 16' ' ' GLY . 54.9 m -46.76 162.79 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.153 -0.967 . . . . 1.6100000000000001 109.572 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' N ' ' CG2' ' A' ' 15' ' ' THR . . . 79.01 -36.53 1.92 Allowed Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.387 -1.485 . . . . 1.04 109.387 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 15' ' ' THR . 46.8 mt-10 -92.29 158.18 16.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.228 -1.16 . . . . 2.0699999999999998 110.117 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p -176.07 -162.84 0.1 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.895 -0.779 . . . . 1.8300000000000001 108.895 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' OD1' ' A' ' 8' ' ' ASN . 2.9 pt20 -143.26 141.12 30.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.132 -0.98 . . . . 2.46 108.933 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -154.16 0.17 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.269 -0.894 . . . . 3.2799999999999998 109.99 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -86.6 -20.67 27.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.547 -0.721 . . . . 2.3599999999999999 110.054 -178.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -82.96 4.23 26.74 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.136 -0.978 . . . . 1.3300000000000001 110.316 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 -19.08 9.61 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.656 -1.378 . . . . 0.56999999999999995 109.656 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.493 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 10.9 ptp180 -67.48 152.59 45.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.106 -1.232 . . . . 1.8400000000000001 109.02 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 60.6 m-85 -76.87 153.18 35.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.123 -0.986 . . . . 0.64000000000000001 110.071 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -141.72 125.43 16.93 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.185 -1.043 . . . . 1.8700000000000001 108.185 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -118.96 106.49 12.5 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.862 -0.792 . . . . 0.97999999999999998 108.862 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -95.29 137.59 34.14 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.361 -0.977 . . . . 1.74 108.361 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 36.5 p90 -153.77 129.64 10.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.85 -1.156 . . . . 1.0600000000000001 109.869 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.1 mm -72.56 119.37 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 109.317 -0.623 . . . . 1.47 109.317 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -81.11 173.13 12.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.381 -0.825 . . . . 2.0499999999999998 109.615 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.56 11.66 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 2.4900000000000002 110.347 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.522 ' H ' ' C ' ' A' ' 31' ' ' ASP . 31.5 m-85 -100.13 -29.86 12.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 2.1299999999999999 108.917 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.04 27.45 7.37 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.032 -1.627 . . . . 0.97999999999999998 109.032 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -137.58 115.79 9.83 Favored Pre-proline 0 N--CA 1.5 2.034 0 N-CA-C 108.339 -0.986 . . . . 2.5099999999999998 108.339 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.8 151.92 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.685 1.59 . . . . 0.75 112.235 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -127.81 133.82 49.43 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.546 -0.721 . . . . 2.4399999999999999 109.335 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -98.89 133.55 43.02 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.22 -0.925 . . . . 0.85999999999999999 111.538 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.83 118.25 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 106.553 -1.647 . . . . 1.1000000000000001 106.553 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -103.48 160.28 14.86 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.081 -1.012 . . . . 0.80000000000000004 111.394 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -178.98 169.65 1.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.144 -0.687 . . . . 1.1100000000000001 109.144 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -118.77 -34.88 3.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.369 -0.832 . . . . 0.54000000000000004 109.191 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -94.25 126.83 39.73 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.388 -0.82 . . . . 2.5600000000000001 109.757 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.42 -34.68 68.0 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.929 -1.138 . . . . 1.29 107.929 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.05 153.82 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.6 -1.259 . . . . 1.3 107.6 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.42 65.7 0.18 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.221 -0.925 . . . . 1.23 110.068 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.1 m -151.78 -31.56 0.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.74 -0.837 . . . . 1.96 108.74 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -164.11 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.539 -0.726 . . . . 1.4299999999999999 109.982 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -130.04 -160.03 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.893 -0.781 . . . . 3.52 108.893 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 27.5 m -157.12 124.04 2.63 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.03 -1.044 . . . . 1.4199999999999999 109.33 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.73 132.4 5.52 Favored 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.785 1.657 . . . . 1.0600000000000001 112.434 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.55 146.88 5.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.613 -0.68 . . . . 1.6100000000000001 109.444 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.62 -19.61 53.95 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.209 -1.556 . . . . 1.24 109.209 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 9.7 mptt -87.45 153.6 21.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -1.072 . . . . 2.2200000000000002 109.258 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -81.01 126.34 31.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 4.0199999999999996 109.371 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.26 155.71 6.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.884 . . . . 2.3999999999999999 109.647 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -168.46 159.16 10.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.284 -0.885 . . . . 1.1799999999999999 108.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 14.6 pt -70.93 171.99 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.289 -1.374 . . . . 1.1799999999999999 107.289 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 62' ' ' GLU . 2.0 p -76.59 141.87 40.94 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.189 -0.944 . . . . 1.6499999999999999 108.839 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tt -45.23 -33.01 2.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.546 -0.721 . . . . 2.04 109.551 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -61.47 -29.58 70.06 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.609 -0.682 . . . . 2.7799999999999998 109.403 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 59' ' ' SER . 56.1 mm-40 -76.17 -35.23 59.24 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.988 -1.116 . . . . 1.97 107.988 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -68.56 -53.83 20.47 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.507 -0.923 . . . . 1.9399999999999999 108.507 178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mt -49.13 -42.83 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.52 -0.919 . . . . 1.1499999999999999 108.52 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.2 63.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.489 -0.757 . . . . 1.22 109.686 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.62 -39.01 67.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.042 -1.036 . . . . 2.2799999999999998 109.476 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.13 -29.15 67.99 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.503 -0.748 . . . . 1.25 109.812 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -79.22 -37.9 37.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 2.5 109.176 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -74.5 -94.59 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.263 -0.898 . . . . 3.27 109.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -157.23 -44.59 0.07 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.995 -1.066 . . . . 3.7000000000000002 110.247 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.7 tt . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.196 -0.94 . . . . 4.5099999999999998 109.535 -179.459 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.764 4.955 . . . . 1.21 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DA' . . . . . 0.596 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.698 3.623 . . . . 0.81999999999999995 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DG' . . . . . 0.596 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 111.561 4.701 . . . . 0.63 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DT' . . . . . 0.589 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 0 O4'-C1'-N19 110.537 3.422 . . . . 1.1200000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.061 4.076 . . . . 0.63 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DG' . . . . . 0.512 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O4'-C1'-N19 111.563 4.704 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DT' . . . . . 0.496 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.461 1 O4'-C1'-N19 111.094 4.117 . . . . 1.1299999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.71 3.638 . . . . 0.91000000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DA' . . . . . 0.622 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.185 4.232 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DA' . . . . . 0.562 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.021 4.026 . . . . 0.70999999999999996 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.106 4.132 . . . . 1.1899999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.534 3.417 . . . . 1.3799999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.353 3.191 . . . . 1.6299999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.433 3.291 . . . . 2.4500000000000002 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ' DA' . . . . . 0.512 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.674 3.592 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' ' DA' . . . . . 0.526 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.942 1 O4'-C1'-N19 111.74 4.925 . . . . 1.4399999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ' DT' . . . . . 0.526 ' C2 ' ' C2 ' ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.252 4.315 . . . . 1.77 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' ' DT' . . . . . 0.587 ' OP2' ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.319 3.149 . . . . 1.2 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' ' DT' . . . . . 0.566 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.74 3.675 . . . . 1.1399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' ' DA' . . . . . 0.551 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.721 3.651 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' ' DC' . . . . . 0.448 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 C3'-C2'-C1' 107.232 3.237 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ' DT' . . . . . 0.594 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.946 3.932 . . . . 1.1599999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' ' DA' . . . . . 0.67 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.769 3.712 . . . . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' ' DC' . . . . . 0.67 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.282 4.353 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ' DT' . . . . . 0.556 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.248 4.31 . . . . 1.1299999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' ' DC' . . . . . 0.556 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.689 3.611 . . . . 1.1499999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.712 -0.477 . . . . 4.96 109.712 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.54 126.16 34.19 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.342 -0.984 . . . . 2.6400000000000001 108.342 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -78.24 168.31 20.03 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.171 -1.048 . . . . 3.8599999999999999 108.171 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -131.53 173.46 11.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.399 -0.813 . . . . 2.6800000000000002 109.775 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.4 p30 -83.97 -164.43 0.93 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 1.5600000000000001 108.77 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -75.48 -0.99 22.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.176 -0.953 . . . . 2.2000000000000002 109.386 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -104.99 -108.02 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.435 -0.791 . . . . 3.0299999999999998 109.552 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.8 15.06 0.61 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.039 -1.624 . . . . 0.94999999999999996 109.039 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 71.2 mtm180 -82.33 -163.97 0.76 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.57 -0.959 . . . . 1.8200000000000001 109.22 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -130.78 119.25 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.377 -0.827 . . . . 0.98999999999999999 109.81 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -89.82 143.41 26.82 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.496 -0.927 . . . . 0.97999999999999998 108.496 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -89.44 160.35 16.82 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.856 -1.152 . . . . 2.1600000000000001 109.058 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 16' ' ' GLY . 54.9 m -46.76 162.79 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.153 -0.967 . . . . 1.1399999999999999 109.572 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.56 ' N ' HG22 ' A' ' 15' ' ' THR . . . 79.01 -36.53 1.92 Allowed Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.387 -1.485 . . . . 0.56999999999999995 109.387 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.29 158.18 16.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.228 -1.16 . . . . 2.0699999999999998 110.117 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p -176.07 -162.84 0.1 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.895 -0.779 . . . . 1.3500000000000001 108.895 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -143.26 141.12 30.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.132 -0.98 . . . . 2.4399999999999999 108.933 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -154.16 0.17 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.269 -0.894 . . . . 2.8399999999999999 109.99 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -86.6 -20.67 27.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.547 -0.721 . . . . 1.77 110.054 -178.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -82.96 4.23 26.74 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.136 -0.978 . . . . 1.3300000000000001 110.316 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 -19.08 9.61 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.656 -1.378 . . . . 0.51000000000000001 109.656 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.503 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 10.9 ptp180 -67.48 152.59 45.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.106 -1.232 . . . . 1.49 109.02 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 60.6 m-85 -76.87 153.18 35.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.123 -0.986 . . . . 0.58999999999999997 110.071 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -141.72 125.43 16.93 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.185 -1.043 . . . . 1.24 108.185 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -118.96 106.49 12.5 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.862 -0.792 . . . . 0.44 108.862 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -95.29 137.59 34.14 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.361 -0.977 . . . . 1.1699999999999999 108.361 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 36.5 p90 -153.77 129.64 10.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.85 -1.156 . . . . 0.80000000000000004 109.869 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.407 ' H ' HG12 ' A' ' 30' ' ' ILE . 7.1 mm -72.56 119.37 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 109.317 -0.623 . . . . 0.81000000000000005 109.317 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -81.11 173.13 12.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.381 -0.825 . . . . 2.0499999999999998 109.615 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.56 11.66 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 2.0600000000000001 110.347 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 31' ' ' ASP . 31.5 m-85 -100.13 -29.86 12.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 1.9199999999999999 108.917 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.04 27.45 7.37 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.032 -1.627 . . . . 0.88 109.032 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -137.58 115.79 9.83 Favored Pre-proline 0 N--CA 1.5 2.034 0 N-CA-C 108.339 -0.986 . . . . 2.5099999999999998 108.339 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.8 151.92 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.685 1.59 . . . . 0.66000000000000003 112.235 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -127.81 133.82 49.43 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.546 -0.721 . . . . 1.8300000000000001 109.335 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.55 ' HE1' ' H73' ' C' ' 122' ' ' ' DT' . 8.5 m-85 -98.89 133.55 43.02 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.22 -0.925 . . . . 0.67000000000000004 111.538 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.83 118.25 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 106.553 -1.647 . . . . 0.47999999999999998 106.553 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -103.48 160.28 14.86 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.081 -1.012 . . . . 0.71999999999999997 111.394 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -178.98 169.65 1.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.144 -0.687 . . . . 0.92000000000000004 109.144 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -118.77 -34.88 3.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.369 -0.832 . . . . 0.5 109.191 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -94.25 126.83 39.73 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.388 -0.82 . . . . 2.0299999999999998 109.757 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.42 -34.68 68.0 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.929 -1.138 . . . . 0.68999999999999995 107.929 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.05 153.82 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.6 -1.259 . . . . 0.60999999999999999 107.6 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.42 65.7 0.18 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.221 -0.925 . . . . 0.64000000000000001 110.068 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.1 m -151.78 -31.56 0.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.74 -0.837 . . . . 1.3400000000000001 108.74 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -164.11 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.539 -0.726 . . . . 1.4299999999999999 109.982 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' VAL . 16.6 mmt180 -130.04 -160.03 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.893 -0.781 . . . . 3.0099999999999998 108.893 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 50' ' ' VAL . 27.5 m -157.12 124.04 2.63 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.03 -1.044 . . . . 0.76000000000000001 109.33 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.73 132.4 5.52 Favored 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.785 1.657 . . . . 0.94999999999999996 112.434 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.55 146.88 5.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.613 -0.68 . . . . 1.6100000000000001 109.444 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.62 -19.61 53.95 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.209 -1.556 . . . . 0.96999999999999997 109.209 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 9.7 mptt -87.45 153.6 21.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -1.072 . . . . 1.71 109.258 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -81.01 126.34 31.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 3.3999999999999999 109.371 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.26 155.71 6.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.884 . . . . 2.3999999999999999 109.647 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -168.46 159.16 10.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.284 -0.885 . . . . 0.83999999999999997 108.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 62' ' ' GLU . 14.6 pt -70.93 171.99 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.289 -1.374 . . . . 1.01 107.289 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 p -76.59 141.87 40.94 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.189 -0.944 . . . . 1.1599999999999999 108.839 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tt -45.23 -33.01 2.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.546 -0.721 . . . . 1.49 109.551 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -61.47 -29.58 70.06 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.609 -0.682 . . . . 2.1400000000000001 109.403 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.678 ' HB3' HD12 ' A' ' 58' ' ' ILE . 56.1 mm-40 -76.17 -35.23 59.24 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.988 -1.116 . . . . 1.97 107.988 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HG2' HD11 ' A' ' 58' ' ' ILE . 70.3 mttt -68.56 -53.83 20.47 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.507 -0.923 . . . . 1.3899999999999999 108.507 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mt -49.13 -42.83 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.52 -0.919 . . . . 0.56000000000000005 108.52 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.2 63.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.489 -0.757 . . . . 0.71999999999999997 109.686 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.62 -39.01 67.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.042 -1.036 . . . . 2.2799999999999998 109.476 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.13 -29.15 67.99 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.503 -0.748 . . . . 1.02 109.812 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -79.22 -37.9 37.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 2.1200000000000001 109.176 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -74.5 -94.59 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.263 -0.898 . . . . 2.8999999999999999 109.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -157.23 -44.59 0.07 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.995 -1.066 . . . . 3.7000000000000002 110.247 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.7 tt . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.196 -0.94 . . . . 4.0499999999999998 109.535 -179.459 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.764 4.955 . . . . 1.1100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DA' . . . . . 0.596 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.698 3.623 . . . . 0.76000000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DG' . . . . . 0.596 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 111.561 4.701 . . . . 0.63 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DT' . . . . . 0.589 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 0 O4'-C1'-N19 110.537 3.422 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.061 4.076 . . . . 0.63 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DG' . . . . . 0.506 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O4'-C1'-N19 111.563 4.704 . . . . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DT' . . . . . 0.491 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.461 1 O4'-C1'-N19 111.094 4.117 . . . . 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.71 3.638 . . . . 0.91000000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DA' . . . . . 0.622 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.185 4.232 . . . . 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.021 4.026 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.106 4.132 . . . . 0.72999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.534 3.417 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.353 3.191 . . . . 1.3799999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.433 3.291 . . . . 2.0699999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ' DA' . . . . . 0.51 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.674 3.592 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' ' DA' . . . . . 0.526 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.942 1 O4'-C1'-N19 111.74 4.925 . . . . 1.4399999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ' DT' . . . . . 0.602 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.252 4.315 . . . . 1.77 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 118' ' ' ' DT' . . . . . 0.602 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.319 3.149 . . . . 0.79000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' ' DT' . . . . . 0.563 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.74 3.675 . . . . 0.69999999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' ' DA' . . . . . 0.548 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.721 3.651 . . . . 0.68000000000000005 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' ' DC' . . . . . 0.443 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 C3'-C2'-C1' 107.232 3.237 . . . . 0.54000000000000004 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.946 3.932 . . . . 0.52000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 123' ' ' ' DA' . . . . . 0.669 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.769 3.712 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 124' ' ' ' DC' . . . . . 0.669 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.282 4.353 . . . . 0.59999999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ' DT' . . . . . 0.56 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.248 4.31 . . . . 0.55000000000000004 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 126' ' ' ' DC' . . . . . 0.56 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.689 3.611 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.712 -0.477 . . . . 4.96 109.712 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.54 126.16 34.19 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.342 -0.984 . . . . 2.64 108.342 179.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -78.24 168.31 20.03 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 108.171 -1.048 . . . . 3.86 108.171 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -131.53 173.46 11.08 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.399 -0.813 . . . . 2.68 109.775 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 25.4 p30 -83.97 -164.43 0.93 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.344 -0.847 . . . . 1.56 108.77 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' OD1' ' NE2' ' A' ' 19' ' ' GLN . 74.3 m-20 -75.48 -0.99 22.06 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.176 -0.953 . . . . 2.2 109.386 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.8 mmt180 -104.99 -108.02 0.29 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.435 -0.791 . . . . 3.03 109.552 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -153.8 15.06 0.61 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.039 -1.624 . . . . 0.95 109.039 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' NH2' ' OH ' ' A' ' 25' ' ' TYR . 71.2 mtm180 -82.33 -163.97 0.76 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.57 -0.959 . . . . 1.82 109.22 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.0 mm -130.78 119.25 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 121.377 -0.827 . . . . 0.99 109.81 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.2 mt -89.82 143.41 26.82 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 108.496 -0.927 . . . . 0.98 108.496 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtp -89.44 160.35 16.82 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.856 -1.152 . . . . 2.16 109.058 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 ' N ' ' A' ' 16' ' ' GLY . 54.9 m -46.76 162.79 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.153 -0.967 . . . . 1.14 109.572 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.56 ' N ' HG22 ' A' ' 15' ' ' THR . . . 79.01 -36.53 1.92 Allowed Glycine 0 N--CA 1.489 2.176 0 N-CA-C 109.387 -1.485 . . . . 0.57 109.387 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -92.29 158.18 16.25 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.228 -1.16 . . . . 2.07 110.117 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p -176.07 -162.84 0.1 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.895 -0.779 . . . . 1.35 108.895 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.516 ' NE2' ' OD1' ' A' ' 8' ' ' ASN . 2.9 pt20 -143.26 141.12 30.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.132 -0.98 . . . . 2.44 108.933 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.65 -154.16 0.17 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.269 -0.894 . . . . 2.84 109.99 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.483 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -86.6 -20.67 27.56 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.547 -0.721 . . . . 1.77 110.054 -178.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -82.96 4.23 26.74 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.136 -0.978 . . . . 1.33 110.316 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.61 -19.08 9.61 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.656 -1.378 . . . . 0.51 109.656 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.503 HH22 ' P ' ' C' ' 118' ' ' ' DT' . 10.9 ptp180 -67.48 152.59 45.41 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.106 -1.232 . . . . 1.49 109.02 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.491 ' OH ' ' NH2' ' A' ' 11' ' ' ARG . 60.6 m-85 -76.87 153.18 35.01 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.123 -0.986 . . . . 0.59 110.071 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.4 tp -141.72 125.43 16.93 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 108.185 -1.043 . . . . 1.24 108.185 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -118.96 106.49 12.5 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 108.862 -0.792 . . . . 0.44 108.862 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -95.29 137.59 34.14 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 108.361 -0.977 . . . . 1.17 108.361 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.402 ' O ' ' CD1' ' A' ' 29' ' ' TYR . 36.5 p90 -153.77 129.64 10.19 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 120.85 -1.156 . . . . 0.8 109.869 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.407 ' H ' HG12 ' A' ' 30' ' ' ILE . 7.1 mm -72.56 119.37 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 N-CA-C 109.317 -0.623 . . . . 0.81 109.317 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -81.11 173.13 12.87 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.381 -0.825 . . . . 2.05 109.615 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.1 m -66.56 11.66 0.09 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 2.06 110.347 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' H ' ' C ' ' A' ' 31' ' ' ASP . 31.5 m-85 -100.13 -29.86 12.26 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.02 -1.05 . . . . 1.92 108.917 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 101.04 27.45 7.37 Favored Glycine 0 N--CA 1.495 2.628 0 N-CA-C 109.032 -1.627 . . . . 0.88 109.032 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -137.58 115.79 9.83 Favored Pre-proline 0 N--CA 1.5 2.034 0 N-CA-C 108.339 -0.986 . . . . 2.51 108.339 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -42.8 151.92 0.22 Allowed 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.685 1.59 . . . . 0.66 112.235 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -127.81 133.82 49.43 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.546 -0.721 . . . . 1.83 109.335 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.55 ' HE1' ' H73' ' C' ' 122' ' ' ' DT' . 8.5 m-85 -98.89 133.55 43.02 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.22 -0.925 . . . . 0.67 111.538 -178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.83 118.25 46.58 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.021 0 N-CA-C 106.553 -1.647 . . . . 0.48 106.553 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -103.48 160.28 14.86 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.081 -1.012 . . . . 0.72 111.394 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 t -178.98 169.65 1.54 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.144 -0.687 . . . . 0.92 109.144 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -118.77 -34.88 3.83 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.369 -0.832 . . . . 0.5 109.191 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -94.25 126.83 39.73 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.388 -0.82 . . . . 2.03 109.757 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.0 tp -72.42 -34.68 68.0 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.929 -1.138 . . . . 0.69 107.929 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' THR . 3.0 m -136.05 153.82 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 107.6 -1.259 . . . . 0.61 107.6 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.42 65.7 0.18 Allowed 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.221 -0.925 . . . . 0.64 110.068 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 45' ' ' VAL . 7.1 m -151.78 -31.56 0.16 Allowed 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.74 -0.837 . . . . 1.34 108.74 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.14 -164.11 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.539 -0.726 . . . . 1.43 109.982 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' HG13 ' A' ' 50' ' ' VAL . 16.6 mmt180 -130.04 -160.03 1.01 Allowed 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.893 -0.781 . . . . 3.01 108.893 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 50' ' ' VAL . 27.5 m -157.12 124.04 2.63 Favored Pre-proline 0 N--CA 1.498 1.954 0 O-C-N 121.03 -1.044 . . . . 0.76 109.33 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.73 132.4 5.52 Favored 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 121.785 1.657 . . . . 0.95 112.434 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.55 146.88 5.06 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.613 -0.68 . . . . 1.61 109.444 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 97.62 -19.61 53.95 Favored Glycine 0 N--CA 1.497 2.701 0 N-CA-C 109.209 -1.556 . . . . 0.97 109.209 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' CD ' ' N ' ' A' ' 54' ' ' LYS . 9.7 mptt -87.45 153.6 21.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.377 -1.072 . . . . 1.71 109.258 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -81.01 126.34 31.27 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.275 -0.891 . . . . 3.4 109.371 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.26 155.71 6.52 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.884 . . . . 2.4 109.647 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -168.46 159.16 10.15 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.284 -0.885 . . . . 0.84 108.887 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.678 HD12 ' HB3' ' A' ' 62' ' ' GLU . 14.6 pt -70.93 171.99 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.289 -1.374 . . . . 1.01 107.289 178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 p -76.59 141.87 40.94 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 121.189 -0.944 . . . . 1.16 108.839 179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 tt -45.23 -33.01 2.14 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.546 -0.721 . . . . 1.49 109.551 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -61.47 -29.58 70.06 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.609 -0.682 . . . . 2.14 109.403 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.678 ' HB3' HD12 ' A' ' 58' ' ' ILE . 56.1 mm-40 -76.17 -35.23 59.24 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.988 -1.116 . . . . 1.97 107.988 179.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.585 ' HG2' HD11 ' A' ' 58' ' ' ILE . 70.3 mttt -68.56 -53.83 20.47 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 108.507 -0.923 . . . . 1.39 108.507 178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.6 mt -49.13 -42.83 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 N-CA-C 108.52 -0.919 . . . . 0.56 108.52 179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.03 -34.2 63.3 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.489 -0.757 . . . . 0.72 109.686 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.62 -39.01 67.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.042 -1.036 . . . . 2.28 109.476 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -68.13 -29.15 67.99 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.503 -0.748 . . . . 1.02 109.812 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -79.22 -37.9 37.02 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.202 -0.937 . . . . 2.12 109.176 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -74.5 -94.59 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.263 -0.898 . . . . 2.9 109.496 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -157.23 -44.59 0.07 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.995 -1.066 . . . . 3.7 110.247 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.7 tt . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.196 -0.94 . . . . 4.05 109.535 -179.459 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.331 1 O4'-C1'-N19 111.764 4.955 . . . . 1.11 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DA' . . . . . 0.596 H2'' " O5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.698 3.623 . . . . 0.76 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.596 " O5'" H2'' ' B' ' 102' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.741 1 O4'-C1'-N19 111.561 4.701 . . . . 0.63 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DT' . . . . . 0.589 H2'' " O5'" ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.113 0 O4'-C1'-N19 110.537 3.422 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DA' . . . . . 0.589 " O5'" H2'' ' B' ' 104' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.738 1 O4'-C1'-N19 111.061 4.076 . . . . 0.63 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DG' . . . . . 0.506 " O5'" H2'' ' B' ' 105' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.536 3.146 1 O4'-C1'-N19 111.563 4.704 . . . . 0.66 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DT' . . . . . 0.491 " O5'" H2'' ' B' ' 106' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.539 3.461 1 O4'-C1'-N19 111.094 4.117 . . . . 0.68 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DA' . . . . . 0.622 H2'' " O5'" ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.759 0 O4'-C1'-N19 110.71 3.638 . . . . 0.91 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DA' . . . . . 0.622 " O5'" H2'' ' B' ' 108' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.008 1 O4'-C1'-N19 111.185 4.232 . . . . 0.7 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DA' . . . . . 0.557 " O5'" H2'' ' B' ' 109' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.611 1 O4'-C1'-N19 111.021 4.026 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.956 1 O4'-C1'-N19 111.106 4.132 . . . . 0.73 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.622 0 O4'-C1'-N19 110.534 3.417 . . . . 0.88 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.667 0 O4'-C1'-N19 110.353 3.191 . . . . 1.38 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.558 0 O4'-C1'-N19 110.433 3.291 . . . . 2.07 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ' DA' . . . . . 0.51 H2'' " O5'" ' C' ' 116' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.532 2.653 0 O4'-C1'-N19 110.674 3.592 . . . . 1.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' ' DA' . . . . . 0.526 ' C2 ' ' C2 ' ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.535 2.942 1 O4'-C1'-N19 111.74 4.925 . . . . 1.44 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ' DT' . . . . . 0.602 " H2'" ' H72' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.156 1 O4'-C1'-N19 111.252 4.315 . . . . 1.77 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' ' DT' . . . . . 0.602 ' H72' " H2'" ' C' ' 117' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.319 3.149 . . . . 0.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' ' DT' . . . . . 0.563 " O5'" H2'' ' C' ' 118' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.708 0 O4'-C1'-N19 110.74 3.675 . . . . 0.7 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' ' DA' . . . . . 0.548 " O5'" H2'' ' C' ' 119' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.805 0 O4'-C1'-N19 110.721 3.651 . . . . 0.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' ' DC' . . . . . 0.443 " O5'" H2'' ' C' ' 120' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.794 0 C3'-C2'-C1' 107.232 3.237 . . . . 0.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ' DT' . . . . . 0.591 H2'' " O5'" ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.803 0 O4'-C1'-N19 110.946 3.932 . . . . 0.52 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' ' DA' . . . . . 0.669 H2'' " O5'" ' C' ' 124' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.582 0 O4'-C1'-N19 110.769 3.712 . . . . 0.62 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' ' DC' . . . . . 0.669 " O5'" H2'' ' C' ' 123' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 3.06 1 O4'-C1'-N19 111.282 4.353 . . . . 0.6 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ' DT' . . . . . 0.56 H2'' " O5'" ' C' ' 126' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.532 2.655 1 O4'-C1'-N19 111.248 4.31 . . . . 0.55 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' ' DC' . . . . . 0.56 " O5'" H2'' ' C' ' 125' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.533 2.692 0 O4'-C1'-N19 110.689 3.611 . . . . 0.98 . . . . . . . . . . 1 1 . 1 stop_ save_