data_1du1_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 1du1 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.452 ' OG1' ' HB2' ' A' ' 4' ' ' GLN . 80.8 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.28 0.562 . . . . 3.79 110.195 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -50.66 72.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.92 . . . . 4.89 110.228 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.31 -42.9 96.52 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.185 -0.947 . . . . 3.93 110.04 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.452 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 12.2 mt-30 -56.49 -37.05 69.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.47 -0.769 . . . . 4.61 110.026 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -25.88 65.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.483 -0.761 . . . . 5.61 110.183 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -56.79 -37.7 71.49 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.309 -0.87 . . . . 2.72 109.881 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -70.25 -30.9 68.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.473 -0.767 . . . . 5.12 110.713 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 33.95 1.02 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 122.096 0.95 . . . . 3.73 110.101 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -163.72 -35.24 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 115.814 -0.63 . . . . 3.4 110.73 179.639 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 tt0 -75.37 37.14 0.13 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.122 -0.986 . . . . 4.05 110.854 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.447 ' H ' ' C ' ' A' ' 9' ' ' GLU . 37.0 ttm180 -74.02 -39.62 63.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.982 -1.118 . . . . 6.35 107.982 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -84.52 168.72 15.16 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.068 -0.715 . . . . 4.98 109.068 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.595 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 35.64 53.78 0.84 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.171 -0.955 . . . . 6.81 110.343 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 61.54 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.378 -0.826 . . . . 6.94 110.587 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 51.38 92.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.199 -0.938 . . . . 6.98 110.158 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -48.18 177.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -0.798 . . . . 7.56 110.162 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.481 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 34.4 t -80.69 54.91 2.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 5.46 110.143 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 17' ' ' SER . 7.5 mmt180 -145.81 92.93 2.27 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.262 -0.899 . . . . 8.72 109.992 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.02 57.58 0.23 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.538 -1.425 . . . . 5.08 109.538 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' N ' HD21 ' A' ' 20' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.248 -1.148 . . . . 7.18 110.199 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 4' ' ' GLN . 80.8 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.28 0.562 . . . . 3.41 110.195 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -50.66 72.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.92 . . . . 4.55 110.228 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -60.31 -42.9 96.52 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.185 -0.947 . . . . 3.52 110.04 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.44 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 12.2 mt-30 -56.49 -37.05 69.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.47 -0.769 . . . . 4.09 110.026 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -25.88 65.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.483 -0.761 . . . . 5.2 110.183 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -56.79 -37.7 71.49 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.309 -0.87 . . . . 2.18 109.881 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -70.25 -30.9 68.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.473 -0.767 . . . . 4.78 110.713 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 33.95 1.02 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 122.096 0.95 . . . . 3.13 110.101 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -163.72 -35.24 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 115.814 -0.63 . . . . 3.4 110.73 179.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 tt0 -75.37 37.14 0.13 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.122 -0.986 . . . . 4.05 110.854 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 9' ' ' GLU . 37.0 ttm180 -74.02 -39.62 63.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.982 -1.118 . . . . 5.62 107.982 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' CG ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -84.52 168.72 15.16 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.068 -0.715 . . . . 4.45 109.068 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.595 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 35.64 53.78 0.84 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.171 -0.955 . . . . 6.15 110.343 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 61.54 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.378 -0.826 . . . . 6.19 110.587 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 51.38 92.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.199 -0.938 . . . . 6.49 110.158 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -48.18 177.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -0.798 . . . . 7.06 110.162 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 34.4 t -80.69 54.91 2.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 5.28 110.143 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 mmt180 -145.81 92.93 2.27 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.262 -0.899 . . . . 7.99 109.992 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.02 57.58 0.23 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.538 -1.425 . . . . 5.08 109.538 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.659 ' OXT' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.248 -1.148 . . . . 6.81 110.199 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.44 ' OG1' ' HB2' ' A' ' 4' ' ' GLN . 80.8 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.28 0.562 . . . . 3.4100000000000001 110.195 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.28 -50.66 72.09 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.227 -0.92 . . . . 4.5499999999999998 110.228 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' A' ' 6' ' ' ALA . . . -60.31 -42.9 96.52 Favored 'General case' 0 C--N 1.306 -1.318 0 O-C-N 121.185 -0.947 . . . . 3.52 110.04 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.44 ' HB2' ' OG1' ' A' ' 1' ' ' THR . 12.2 mt-30 -56.49 -37.05 69.85 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.47 -0.769 . . . . 4.0899999999999999 110.026 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -25.88 65.6 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.483 -0.761 . . . . 5.2000000000000002 110.183 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 10' ' ' GLU . . . -56.79 -37.7 71.49 Favored 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.309 -0.87 . . . . 2.1800000000000002 109.881 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -70.25 -30.9 68.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.473 -0.767 . . . . 4.7800000000000002 110.713 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.8 33.95 1.02 Allowed 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 122.096 0.95 . . . . 3.1299999999999999 110.101 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 11' ' ' ARG . 0.1 OUTLIER -163.72 -35.24 0.03 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 115.814 -0.63 . . . . 3.3999999999999999 110.73 179.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 6' ' ' ALA . 6.7 tt0 -75.37 37.14 0.13 Allowed 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.122 -0.986 . . . . 4.0499999999999998 110.854 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 9' ' ' GLU . 37.0 ttm180 -74.02 -39.62 63.46 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 107.982 -1.118 . . . . 5.6200000000000001 107.982 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' CG ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -84.52 168.72 15.16 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.068 -0.715 . . . . 4.4500000000000002 109.068 178.832 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.595 ' O ' ' N ' ' A' ' 15' ' ' LYS . 0.1 OUTLIER 35.64 53.78 0.84 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.171 -0.955 . . . . 6.1500000000000004 110.343 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.77 61.54 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.378 -0.826 . . . . 6.1900000000000004 110.587 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' N ' ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 51.38 92.41 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.199 -0.938 . . . . 6.4900000000000002 110.158 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.459 ' O ' ' O ' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -48.18 177.86 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.424 -0.798 . . . . 7.0599999999999996 110.162 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.472 ' O ' ' HG2' ' A' ' 18' ' ' ARG . 34.4 t -80.69 54.91 2.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.271 -0.893 . . . . 5.2800000000000002 110.143 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 20' ' ' LEU . 7.5 mmt180 -145.81 92.93 2.27 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.262 -0.899 . . . . 7.9900000000000002 109.992 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.02 57.58 0.23 Allowed Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.538 -1.425 . . . . 5.0800000000000001 109.538 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.659 ' OXT' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.248 -1.148 . . . . 6.8099999999999996 110.199 -179.934 . . . . . . . . 2 2 . 1 stop_ save_