data_1akg_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 1akg _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.395 0 N-CA-C 110.359 -1.097 . . . . 7.85 110.359 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.5 t -49.61 -45.97 48.76 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 116.472 2.027 . . . . 5.99 116.472 -178.56 -174.461 73.033 -100.338 101.939 2.028 104.561 -88.185 -169.631 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 m -70.03 -11.49 60.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 117.126 2.269 . . . . 7.85 117.126 -175.76 -49.514 -57.143 -91.058 104.732 2.033 102.688 -63.89 -71.97 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -105.11 4.17 31.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.864 0.364 . . . . 8.23 110.65 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.48 103.64 53.9 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 105.717 -1.957 . . . . 13.82 105.717 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -39.41 -52.74 2.37 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 N-CA-C 118.146 2.325 . . . . 8.56 118.146 -179.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -58.53 -37.67 93.44 Favored 'Trans proline' 0 C--N 1.348 0.51 0 CA-C-N 118.656 0.556 . . . . 11.94 112.706 -179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -73.55 -44.4 57.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.361 -0.535 . . . . 6.25 111.631 -179.828 -169.631 -88.185 -100.338 104.561 2.028 101.939 73.033 -174.461 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.39 79.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.894 0.378 . . . . 7.39 110.659 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.47 -39.41 90.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 15.18 111.836 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 m -87.11 -8.07 57.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 114.581 1.326 . . . . 10.57 114.581 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -132.8 56.89 24.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.301 -1.37 . . . . 6.58 107.301 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -61.4 -43.57 27.4 Favored 'Trans proline' 0 C--N 1.345 0.376 0 N-CA-C 118.51 2.465 . . . . 7.1 118.51 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -72.99 -31.24 64.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.353 0.597 . . . . 23.02 111.72 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.13 -45.53 80.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.482 -0.781 . . . . 14.6 109.265 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -80.21 -31.37 38.69 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-O 117.728 -1.129 . . . . 7.99 113.374 -179.985 -71.97 -63.89 -91.058 102.688 2.033 104.732 -57.143 -49.514 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 119.227 0.921 . . . . 6.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.395 0 N-CA-C 110.359 -1.097 . . . . 7.85 110.359 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.5 t -49.61 -45.97 48.76 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 116.472 2.027 . . . . 5.99 116.472 -178.56 -174.461 73.033 -100.338 101.939 2.028 104.561 -88.185 -169.631 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 m -70.03 -11.49 60.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 117.126 2.269 . . . . 7.85 117.126 -175.76 -49.514 -57.143 -91.058 104.732 2.033 102.688 -63.89 -71.97 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -105.11 4.17 31.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.864 0.364 . . . . 11.74 110.65 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.48 103.64 53.9 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 105.717 -1.957 . . . . 13.82 105.717 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 40.3 Cg_exo -39.41 -52.74 2.37 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 N-CA-C 118.146 2.325 . . . . 8.56 118.146 -179.229 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 72.8 Cg_exo -58.53 -37.67 93.44 Favored 'Trans proline' 0 C--N 1.348 0.51 0 CA-C-N 118.656 0.556 . . . . 11.94 112.706 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -73.55 -44.4 57.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.361 -0.535 . . . . 6.25 111.631 -179.828 -169.631 -88.185 -100.338 104.561 2.028 101.939 73.033 -174.461 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.39 79.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.894 0.378 . . . . 7.39 110.659 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.47 -39.41 90.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 15.18 111.836 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 m -87.11 -8.07 57.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 114.581 1.326 . . . . 14.7 114.581 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -132.8 56.89 24.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.301 -1.37 . . . . 6.58 107.301 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -61.4 -43.57 27.4 Favored 'Trans proline' 0 C--N 1.345 0.376 0 N-CA-C 118.51 2.465 . . . . 7.1 118.51 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -72.99 -31.24 64.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.353 0.597 . . . . 23.02 111.72 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.13 -45.53 80.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.482 -0.781 . . . . 14.6 109.265 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -80.21 -31.37 38.69 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-O 117.728 -1.129 . . . . 7.99 113.374 -179.985 -71.97 -63.89 -91.058 102.688 2.033 104.732 -57.143 -49.514 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 119.227 0.921 . . . . 6.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.395 0 N-CA-C 110.359 -1.097 . . . . 7.85 110.359 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.5 t -49.61 -45.97 48.76 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 116.472 2.027 . . . . 5.99 116.472 -178.56 -174.461 73.033 -100.338 101.939 2.028 104.561 -88.185 -169.631 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 m -70.03 -11.49 60.92 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 117.126 2.269 . . . . 7.85 117.126 -175.76 -49.514 -57.143 -91.058 104.732 2.033 102.688 -63.89 -71.97 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.7 m -105.11 4.17 31.14 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.864 0.364 . . . . 11.74 110.65 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.0 tp -115.48 103.64 53.9 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 105.717 -1.957 . . . . 13.82 105.717 179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 40.3 Cg_exo -39.41 -52.74 2.37 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 N-CA-C 118.146 2.325 . . . . 8.56 118.146 -179.229 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 72.8 Cg_exo -58.53 -37.67 93.44 Favored 'Trans proline' 0 C--N 1.348 0.51 0 CA-C-N 118.656 0.556 . . . . 11.94 112.706 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -73.55 -44.4 57.54 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.361 -0.535 . . . . 6.25 111.631 -179.828 -169.631 -88.185 -100.338 104.561 2.028 101.939 73.033 -174.461 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.15 -38.39 79.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.894 0.378 . . . . 7.39 110.659 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.5 tp -61.47 -39.41 90.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 15.18 111.836 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.4 m -87.11 -8.07 57.38 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 114.581 1.326 . . . . 14.7 114.581 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -132.8 56.89 24.66 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.301 -1.37 . . . . 6.58 107.301 179.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -61.4 -43.57 27.4 Favored 'Trans proline' 0 C--N 1.345 0.376 0 N-CA-C 118.51 2.465 . . . . 7.1 118.51 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -72.99 -31.24 64.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.353 0.597 . . . . 23.02 111.72 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -66.13 -45.53 80.74 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.482 -0.781 . . . . 14.6 109.265 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.4 m -80.21 -31.37 38.69 Favored 'General case' 0 C--O 1.247 0.972 0 CA-C-O 117.728 -1.129 . . . . 7.99 113.374 -179.985 -71.97 -63.89 -91.058 102.688 2.033 104.732 -57.143 -49.514 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 119.227 0.921 . . . . 6.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_