data_1l4t_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 1l4t _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' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.0 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.75 2.129 . . . . 0.0 116.75 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.98 -31.45 69.16 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.1 m -64.63 -61.36 2.24 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 119.522 1.055 . . . . 0.0 113.066 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -64.72 -33.31 75.66 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -67.27 -48.94 66.22 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.11 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 117.575 2.435 . . . . 0.0 117.575 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.81 -57.74 5.16 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -121.94 118.75 29.64 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.1 71.61 1.07 Allowed Glycine 0 CA--C 1.553 2.443 0 CA-C-O 116.494 -2.281 . . . . 0.0 115.456 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.24 96.2 0.95 Allowed 'Trans proline' 0 CA--C 1.559 1.76 0 CA-C-N 122.525 3.162 . . . . 0.0 112.178 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.81 81.68 0.35 Allowed Glycine 0 N--CA 1.479 1.554 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.97 1.84 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -65.76 -41.54 91.99 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -59.68 -44.63 93.54 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.54 86.82 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -55.73 -39.38 71.04 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.4 m -66.02 -46.12 79.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.34 -104.65 0.35 Allowed Glycine 0 CA--C 1.545 1.937 0 CA-C-N 119.346 0.975 . . . . 0.0 113.566 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.22 91.6 46.04 Favored Pre-proline 0 CA--C 1.565 1.55 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.225 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -89.05 -153.46 0.04 OUTLIER 'Trans proline' 0 CA--C 1.57 2.286 0 C-N-CA 123.078 2.519 . . . . 0.0 113.356 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 mp -57.57 -48.34 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.012 0 C-N-CA 124.86 1.264 . . . . 0.0 112.542 164.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.8 p -58.89 -39.88 82.79 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.85 -37.9 83.68 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.0 -45.28 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.279 1.031 . . . . 0.0 112.972 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -59.63 -31.49 69.56 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.28 -40.5 86.27 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.8 -43.55 92.82 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 176.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -72.78 -63.96 1.06 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.233 0.924 . . . . 0.0 113.274 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 O-C-N 119.25 -2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.0 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.75 2.129 . . . . 0.0 116.75 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.98 -31.45 69.16 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.1 m -64.63 -61.36 2.24 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 119.522 1.055 . . . . 0.0 113.066 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -64.72 -33.31 75.66 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -67.27 -48.94 66.22 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.11 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 117.575 2.435 . . . . 0.0 117.575 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.81 -57.74 5.16 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -121.94 118.75 29.64 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.1 71.61 1.07 Allowed Glycine 0 CA--C 1.553 2.443 0 CA-C-O 116.494 -2.281 . . . . 0.0 115.456 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.24 96.2 0.95 Allowed 'Trans proline' 0 CA--C 1.559 1.76 0 CA-C-N 122.525 3.162 . . . . 0.0 112.178 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.81 81.68 0.35 Allowed Glycine 0 N--CA 1.479 1.554 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.97 1.84 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -65.76 -41.54 91.99 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -59.68 -44.63 93.54 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.54 86.82 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -55.73 -39.38 71.04 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.4 m -66.02 -46.12 79.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.34 -104.65 0.35 Allowed Glycine 0 CA--C 1.545 1.937 0 CA-C-N 119.346 0.975 . . . . 0.0 113.566 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.22 91.6 46.04 Favored Pre-proline 0 CA--C 1.565 1.55 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.225 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -89.05 -153.46 0.04 OUTLIER 'Trans proline' 0 CA--C 1.57 2.286 0 C-N-CA 123.078 2.519 . . . . 0.0 113.356 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.519 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.8 mp -57.57 -48.34 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.012 0 C-N-CA 124.86 1.264 . . . . 0.0 112.542 164.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.8 p -58.89 -39.88 82.79 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.85 -37.9 83.68 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.0 -45.28 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.279 1.031 . . . . 0.0 112.972 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -59.63 -31.49 69.56 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.28 -40.5 86.27 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.8 -43.55 92.82 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 176.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -72.78 -63.96 1.06 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.233 0.924 . . . . 0.0 113.274 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 O-C-N 119.25 -2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.204 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.0 67.07 Favored 'General case' 0 N--CA 1.492 1.636 0 N-CA-C 116.75 2.129 . . . . 0.0 116.75 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -69.98 -31.45 69.16 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.1 m -64.63 -61.36 2.24 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-N 119.522 1.055 . . . . 0.0 113.066 -176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -64.72 -33.31 75.66 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.3 ttp-105 -67.27 -48.94 66.22 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.11 73.91 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 117.575 2.435 . . . . 0.0 117.575 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -68.81 -57.74 5.16 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -121.94 118.75 29.64 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.1 71.61 1.07 Allowed Glycine 0 CA--C 1.553 2.443 0 CA-C-O 116.494 -2.281 . . . . 0.0 115.456 178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -81.24 96.2 0.95 Allowed 'Trans proline' 0 CA--C 1.559 1.76 0 CA-C-N 122.525 3.162 . . . . 0.0 112.178 178.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -126.81 81.68 0.35 Allowed Glycine 0 N--CA 1.479 1.554 0 N-CA-C 110.591 -1.004 . . . . 0.0 110.591 177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.97 1.84 Allowed 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 -175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -65.76 -41.54 91.99 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 115.961 1.837 . . . . 0.0 115.961 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -59.68 -44.63 93.54 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 176.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.47 -44.54 86.82 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 171.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.3 mt -55.73 -39.38 71.04 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.852 2.167 . . . . 0.0 116.852 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.4 m -66.02 -46.12 79.02 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 168.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.34 -104.65 0.35 Allowed Glycine 0 CA--C 1.545 1.937 0 CA-C-N 119.346 0.975 . . . . 0.0 113.566 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.22 91.6 46.04 Favored Pre-proline 0 CA--C 1.565 1.55 0 CA-C-O 118.312 -0.852 . . . . 0.0 110.225 -176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -89.05 -153.46 0.04 OUTLIER 'Trans proline' 0 CA--C 1.57 2.286 0 C-N-CA 123.078 2.519 . . . . 0.0 113.356 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.519 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.8 mp -57.57 -48.34 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.012 0 C-N-CA 124.86 1.264 . . . . 0.0 112.542 164.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.8 p -58.89 -39.88 82.79 Favored 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 117.839 2.533 . . . . 0.0 117.839 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -60.85 -37.9 83.68 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 115.546 1.684 . . . . 0.0 115.546 171.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 58.4 mt -59.0 -45.28 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 C-N-CA 124.279 1.031 . . . . 0.0 112.972 173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -59.63 -31.49 69.56 Favored 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 117.201 2.297 . . . . 0.0 117.201 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.28 -40.5 86.27 Favored 'General case' 0 N--CA 1.496 1.847 0 N-CA-C 115.81 1.781 . . . . 0.0 115.81 173.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.8 -43.55 92.82 Favored 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.242 1.571 . . . . 0.0 115.242 176.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.9 t -72.78 -63.96 1.06 Allowed 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.233 0.924 . . . . 0.0 113.274 178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.241 0 O-C-N 119.25 -2.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_