data_1coi_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 1coi _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.184 . . . . . . . . 14.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.52 -39.29 83.4 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.683 0.994 . . . . 28.89 113.683 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.37 -45.93 96.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 117.94 -1.504 . . . . 14.12 112.858 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.35 -38.31 83.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 118.377 0.535 . . . . 29.51 110.033 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.79 -42.77 94.79 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.975 -0.75 . . . . 10.11 108.975 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.41 -35.16 79.5 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.998 -0.681 . . . . 13.15 111.094 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.98 -45.14 93.68 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.864 0.727 . . . . 30.96 110.862 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.41 -41.07 94.01 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 112.622 0.601 . . . . 30.82 112.622 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -66.13 -40.77 90.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.273 -0.269 . . . . 29.9 110.273 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.44 -39.84 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 112.985 0.735 . . . . 7.55 112.985 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.29 93.44 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.107 0.479 . . . . 6.28 109.731 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.73 84.01 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.304 -0.628 . . . . 8.22 109.304 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.08 -44.9 94.43 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 119.309 -0.377 . . . . 9.28 111.115 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.65 -38.87 79.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.746 0.703 . . . . 30.17 111.411 179.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.9 t -64.86 -46.29 82.48 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.072 -0.513 . . . . 18.34 110.782 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.9 -40.38 91.49 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.191 0.441 . . . . 31.98 112.191 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.71 -36.39 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.132 -0.355 . . . . 10.73 111.576 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -67.45 -40.47 85.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.463 -0.94 . . . . 38.56 108.463 178.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.45 81.14 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 121.093 -1.005 . . . . 13.45 109.762 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.1 -45.0 87.97 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.521 -0.737 . . . . 17.45 111.614 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.9 -42.91 69.23 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.034 0.445 . . . . 36.9 110.904 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -72.4 -38.89 68.3 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 113.21 0.819 . . . . 27.61 113.21 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -58.52 -53.26 60.34 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 107.745 -1.206 . . . . 24.3 107.745 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.16 -36.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 112.68 0.622 . . . . 13.71 112.68 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.39 -36.35 66.32 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.358 0.599 . . . . 27.61 110.477 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.32 72.22 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.007 -0.433 . . . . 13.91 110.109 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -83.03 -38.36 22.67 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 114.025 1.12 . . . . 17.95 114.025 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.29 151.26 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.318 0.859 . . . . 42.01 113.318 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 50.09 90.11 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 127.301 2.24 . . . . 45.58 114.395 -176.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.92 -89.62 0.52 Allowed Glycine 0 C--O 1.242 0.604 0 C-N-CA 119.871 -1.157 . . . . 44.97 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.107 0 CA-C-N 116.856 0.328 . . . . 43.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.184 . . . . . . . . 14.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.52 -39.29 83.4 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.683 0.994 . . . . 28.89 113.683 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.37 -45.93 96.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 117.94 -1.504 . . . . 14.12 112.858 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.35 -38.31 83.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 118.377 0.535 . . . . 29.51 110.033 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 40' ' ' HOH . . . -64.79 -42.77 94.79 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.975 -0.75 . . . . 10.11 108.975 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.41 -35.16 79.5 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.998 -0.681 . . . . 13.15 111.094 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.98 -45.14 93.68 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.864 0.727 . . . . 30.96 110.862 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.41 -41.07 94.01 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 112.622 0.601 . . . . 30.82 112.622 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -66.13 -40.77 90.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.273 -0.269 . . . . 29.9 110.273 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.44 -39.84 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 112.985 0.735 . . . . 7.55 112.985 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.29 93.44 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.107 0.479 . . . . 6.28 109.731 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.73 84.01 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.304 -0.628 . . . . 8.22 109.304 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.08 -44.9 94.43 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 119.309 -0.377 . . . . 9.28 111.115 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.65 -38.87 79.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.746 0.703 . . . . 30.17 111.411 179.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.9 t -64.86 -46.29 82.48 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.072 -0.513 . . . . 18.34 110.782 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.9 -40.38 91.49 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.191 0.441 . . . . 31.98 112.191 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.71 -36.39 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.132 -0.355 . . . . 10.73 111.576 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 47' ' ' HOH . 45.7 tt0 -67.45 -40.47 85.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.463 -0.94 . . . . 38.56 108.463 178.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.45 81.14 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 121.093 -1.005 . . . . 13.45 109.762 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.1 -45.0 87.97 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.521 -0.737 . . . . 17.45 111.614 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.9 -42.91 69.23 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.034 0.445 . . . . 36.9 110.904 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -72.4 -38.89 68.3 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 113.21 0.819 . . . . 27.61 113.21 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -58.52 -53.26 60.34 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 107.745 -1.206 . . . . 24.3 107.745 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.16 -36.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 112.68 0.622 . . . . 13.71 112.68 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.39 -36.35 66.32 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.358 0.599 . . . . 27.61 110.477 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.32 72.22 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.007 -0.433 . . . . 13.91 110.109 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -83.03 -38.36 22.67 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 114.025 1.12 . . . . 17.95 114.025 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.29 151.26 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.318 0.859 . . . . 42.01 113.318 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 50.09 90.11 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 127.301 2.24 . . . . 45.58 114.395 -176.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.92 -89.62 0.52 Allowed Glycine 0 C--O 1.242 0.604 0 C-N-CA 119.871 -1.157 . . . . 44.97 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.107 0 CA-C-N 116.856 0.328 . . . . 43.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.408 ' O ' ' HB3' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . 0.639 ' O ' ' HG3' ' A' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.184 . . . . . . . . 14.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -59.52 -39.29 83.4 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 113.683 0.994 . . . . 28.89 113.683 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.3 t -63.37 -45.93 96.76 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 117.94 -1.504 . . . . 14.12 112.858 -179.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -60.35 -38.31 83.44 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 118.377 0.535 . . . . 29.51 110.033 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 40' ' ' HOH . . . -64.79 -42.77 94.79 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 108.975 -0.75 . . . . 10.11 108.975 179.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.41 -35.16 79.5 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 119.998 -0.681 . . . . 13.15 111.094 178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -59.98 -45.14 93.68 Favored 'General case' 0 C--N 1.332 -0.195 0 O-C-N 123.864 0.727 . . . . 30.96 110.862 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -65.41 -41.07 94.01 Favored 'General case' 0 C--O 1.211 -0.941 0 N-CA-C 112.622 0.601 . . . . 30.82 112.622 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -66.13 -40.77 90.88 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 110.273 -0.269 . . . . 29.9 110.273 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.3 t -68.44 -39.84 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 112.985 0.735 . . . . 7.55 112.985 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.64 -39.29 93.44 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 121.107 0.479 . . . . 6.28 109.731 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.74 -46.73 84.01 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.304 -0.628 . . . . 8.22 109.304 178.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.08 -44.9 94.43 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 119.309 -0.377 . . . . 9.28 111.115 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -58.65 -38.87 79.07 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.746 0.703 . . . . 30.17 111.411 179.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.9 t -64.86 -46.29 82.48 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 116.072 -0.513 . . . . 18.34 110.782 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.9 -40.38 91.49 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 112.191 0.441 . . . . 31.98 112.191 179.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 52.2 t -68.71 -36.39 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 O-C-N 122.132 -0.355 . . . . 10.73 111.576 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 47' ' ' HOH . 45.7 tt0 -67.45 -40.47 85.39 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.463 -0.94 . . . . 38.56 108.463 178.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.1 -45.45 81.14 Favored 'General case' 0 CA--C 1.553 1.087 0 O-C-N 121.093 -1.005 . . . . 13.45 109.762 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -58.1 -45.0 87.97 Favored 'General case' 0 C--O 1.21 -0.99 0 O-C-N 121.521 -0.737 . . . . 17.45 111.614 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -53.9 -42.91 69.23 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.034 0.445 . . . . 36.9 110.904 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -72.4 -38.89 68.3 Favored 'General case' 0 C--O 1.24 0.559 0 N-CA-C 113.21 0.819 . . . . 27.61 113.21 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -58.52 -53.26 60.34 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 107.745 -1.206 . . . . 24.3 107.745 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.16 -36.49 76.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 112.68 0.622 . . . . 13.71 112.68 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -55.39 -36.35 66.32 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 121.358 0.599 . . . . 27.61 110.477 179.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.78 -31.32 72.22 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.007 -0.433 . . . . 13.91 110.109 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.5 mt -83.03 -38.36 22.67 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 114.025 1.12 . . . . 17.95 114.025 -178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -147.29 151.26 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.318 0.859 . . . . 42.01 113.318 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 50.09 90.11 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 127.301 2.24 . . . . 45.58 114.395 -176.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.92 -89.62 0.52 Allowed Glycine 0 C--O 1.242 0.604 0 C-N-CA 119.871 -1.157 . . . . 44.97 112.624 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.107 0 CA-C-N 116.856 0.328 . . . . 43.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.408 ' O ' ' HB3' ' A' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . 0.639 ' O ' ' HG3' ' A' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_