data_1zdb_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 1zdb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.399 . . . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.58 -25.67 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.662 0.785 . . . . 0.0 112.562 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 2.434 . . -179.89 -69.3 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 126.565 1.946 . . . . 0.0 107.632 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 55.09 82.48 0.1 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.811 1.644 . . . . 0.0 111.819 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -88.61 -107.7 0.08 Allowed 'General case' 0 C--N 1.385 2.112 0 O-C-N 120.341 -1.474 . . . . 0.0 107.576 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -104.72 23.84 12.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.07 0.948 . . . . 0.0 111.57 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.93 -42.02 88.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.881 1.272 . . . . 0.0 111.554 -175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.1 mtp -64.07 -41.43 97.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.386 1.074 . . . . 0.0 111.341 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.46 -47.68 69.42 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 109.642 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -62.99 -19.28 64.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.349 1.46 . . . . 0.0 113.13 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -43.68 -32.93 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.461 1.904 . . . . 0.0 113.703 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.82 -42.77 26.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.732 0.696 . . . . 0.0 112.269 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.09 72.63 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.28 0.491 . . . . 0.0 110.364 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -64.44 -52.55 57.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.083 2.153 . . . . 0.0 109.829 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.25 -47.76 77.87 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.548 1.139 . . . . 0.0 110.186 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.78 -54.23 46.99 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.517 0.727 . . . . 0.0 110.186 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.76 59.6 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.723 0.809 . . . . 0.0 111.397 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.54 -54.15 50.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.569 1.147 . . . . 0.0 111.574 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -77.14 -47.04 21.46 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.648 0.779 . . . . 0.0 112.56 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.35 117.48 34.39 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.83 0.852 . . . . 0.0 112.326 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.54 -25.05 8.46 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.316 2.677 . . . . 0.0 112.187 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -43.09 96.25 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.861 0.864 . . . . 0.0 109.818 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.73 120.51 14.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -74.64 177.52 6.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.572 0.349 . . . . 0.0 110.903 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.8 -47.3 77.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 111.735 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -60.22 -52.75 63.98 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.162 0.585 . . . . 0.0 110.73 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -55.08 -52.18 64.02 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.062 0.945 . . . . 0.0 110.59 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -54.1 -63.07 1.27 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.526 1.13 . . . . 0.0 110.675 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -57.51 -36.98 72.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.988 0.515 . . . . 0.0 112.019 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.83 72.09 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.305 0.502 . . . . 0.0 110.921 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.02 -53.43 58.51 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.966 0.506 . . . . 0.0 110.6 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mm -50.88 -51.16 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 124.426 1.09 . . . . 0.0 110.612 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -58.96 -50.98 72.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.79 0.836 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -57.86 -42.04 83.69 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.579 0.752 . . . . 0.0 111.48 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.63 -48.61 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -38.11 85.43 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.96 0.504 . . . . 0.0 111.274 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.88 -43.85 97.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.515 0.726 . . . . 0.0 110.72 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 124.367 1.067 . . . . 0.0 109.418 174.109 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.399 . . . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.58 -25.67 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.662 0.785 . . . . 0.0 112.562 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 2.434 . . -179.89 -69.3 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 126.565 1.946 . . . . 0.0 107.632 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 55.09 82.48 0.1 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.811 1.644 . . . . 0.0 111.819 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -88.61 -107.7 0.08 Allowed 'General case' 0 C--N 1.385 2.112 0 O-C-N 120.341 -1.474 . . . . 0.0 107.576 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -104.72 23.84 12.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.07 0.948 . . . . 0.0 111.57 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.93 -42.02 88.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.881 1.272 . . . . 0.0 111.554 -175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.1 mtp -64.07 -41.43 97.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.386 1.074 . . . . 0.0 111.341 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.46 -47.68 69.42 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 109.642 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -62.99 -19.28 64.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.349 1.46 . . . . 0.0 113.13 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -43.68 -32.93 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.461 1.904 . . . . 0.0 113.703 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.82 -42.77 26.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.732 0.696 . . . . 0.0 112.269 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.09 72.63 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.28 0.491 . . . . 0.0 110.364 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -64.44 -52.55 57.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.083 2.153 . . . . 0.0 109.829 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.25 -47.76 77.87 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.548 1.139 . . . . 0.0 110.186 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.78 -54.23 46.99 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.517 0.727 . . . . 0.0 110.186 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.76 59.6 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.723 0.809 . . . . 0.0 111.397 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.54 -54.15 50.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.569 1.147 . . . . 0.0 111.574 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -77.14 -47.04 21.46 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.648 0.779 . . . . 0.0 112.56 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.35 117.48 34.39 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.83 0.852 . . . . 0.0 112.326 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.54 -25.05 8.46 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.316 2.677 . . . . 0.0 112.187 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -43.09 96.25 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.861 0.864 . . . . 0.0 109.818 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.73 120.51 14.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -74.64 177.52 6.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.572 0.349 . . . . 0.0 110.903 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.8 -47.3 77.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 111.735 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -60.22 -52.75 63.98 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.162 0.585 . . . . 0.0 110.73 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -55.08 -52.18 64.02 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.062 0.945 . . . . 0.0 110.59 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -54.1 -63.07 1.27 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.526 1.13 . . . . 0.0 110.675 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -57.51 -36.98 72.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.988 0.515 . . . . 0.0 112.019 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.83 72.09 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.305 0.502 . . . . 0.0 110.921 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.02 -53.43 58.51 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.966 0.506 . . . . 0.0 110.6 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mm -50.88 -51.16 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 124.426 1.09 . . . . 0.0 110.612 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -58.96 -50.98 72.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.79 0.836 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -57.86 -42.04 83.69 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.579 0.752 . . . . 0.0 111.48 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.63 -48.61 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -38.11 85.43 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.96 0.504 . . . . 0.0 111.274 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.88 -43.85 97.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.515 0.726 . . . . 0.0 110.72 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 124.367 1.067 . . . . 0.0 109.418 174.109 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . 2.399 . . . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.2 m -64.58 -25.67 38.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.662 0.785 . . . . 0.0 112.562 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . 2.434 . . -179.89 -69.3 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 126.565 1.946 . . . . 0.0 107.632 175.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 55.09 82.48 0.1 Allowed 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.811 1.644 . . . . 0.0 111.819 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -88.61 -107.7 0.08 Allowed 'General case' 0 C--N 1.385 2.112 0 O-C-N 120.341 -1.474 . . . . 0.0 107.576 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -104.72 23.84 12.76 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 124.07 0.948 . . . . 0.0 111.57 -175.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -58.93 -42.02 88.75 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.881 1.272 . . . . 0.0 111.554 -175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 95.1 mtp -64.07 -41.43 97.35 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.386 1.074 . . . . 0.0 111.341 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -67.46 -47.68 69.42 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.08 0.552 . . . . 0.0 109.642 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -62.99 -19.28 64.18 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.349 1.46 . . . . 0.0 113.13 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -43.68 -32.93 1.09 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.461 1.904 . . . . 0.0 113.703 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.82 -42.77 26.84 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.732 0.696 . . . . 0.0 112.269 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.55 -32.09 72.63 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.28 0.491 . . . . 0.0 110.364 174.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -64.44 -52.55 57.46 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.083 2.153 . . . . 0.0 109.829 175.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -56.25 -47.76 77.87 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.548 1.139 . . . . 0.0 110.186 174.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -55.78 -54.23 46.99 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.517 0.727 . . . . 0.0 110.186 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.93 -52.76 59.6 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.723 0.809 . . . . 0.0 111.397 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.4 tp -57.54 -54.15 50.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.569 1.147 . . . . 0.0 111.574 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -77.14 -47.04 21.46 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.648 0.779 . . . . 0.0 112.56 -172.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -63.35 117.48 34.39 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.83 0.852 . . . . 0.0 112.326 -169.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -77.54 -25.05 8.46 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.316 2.677 . . . . 0.0 112.187 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -43.09 96.25 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.861 0.864 . . . . 0.0 109.818 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.73 120.51 14.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 169.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 22.7 p30 -74.64 177.52 6.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.572 0.349 . . . . 0.0 110.903 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.8 -47.3 77.36 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.875 0.87 . . . . 0.0 111.735 -177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -60.22 -52.75 63.98 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.162 0.585 . . . . 0.0 110.73 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -55.08 -52.18 64.02 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.062 0.945 . . . . 0.0 110.59 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.1 ttp-105 -54.1 -63.07 1.27 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.526 1.13 . . . . 0.0 110.675 179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -57.51 -36.98 72.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.988 0.515 . . . . 0.0 112.019 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.83 72.09 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.305 0.502 . . . . 0.0 110.921 176.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -59.02 -53.43 58.51 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.966 0.506 . . . . 0.0 110.6 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mm -50.88 -51.16 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 124.426 1.09 . . . . 0.0 110.612 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.8 tttp -58.96 -50.98 72.0 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.79 0.836 . . . . 0.0 111.041 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.4 m -57.86 -42.04 83.69 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.579 0.752 . . . . 0.0 111.48 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.3 mt -66.63 -48.61 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.22 -38.11 85.43 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.96 0.504 . . . . 0.0 111.274 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -62.88 -43.85 97.68 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.515 0.726 . . . . 0.0 110.72 175.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.8 t0 . . . . . 0 C--O 1.25 1.123 0 C-N-CA 124.367 1.067 . . . . 0.0 109.418 174.109 . . . . . . . . 0 0 . 1 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