data_2chf_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 2chf _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 109.788 -0.449 . . . . 27.59 109.788 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -65.34 124.52 22.45 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 115.028 -2.415 . . . . 27.2 109.575 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -13.25 22.13 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 120.973 1.715 . . . . 25.9 111.368 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -94.05 6.32 48.91 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 111.989 0.366 . . . . 17.94 111.989 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.88 135.66 51.97 Favored 'General case' 0 C--O 1.268 2.038 0 N-CA-C 107.41 -1.329 . . . . 16.5 107.41 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -88.04 115.95 25.87 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.513 1.525 . . . . 21.52 108.967 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -97.18 146.42 25.09 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 113.529 -1.669 . . . . 12.28 111.496 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp -116.3 117.81 31.01 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 104.308 -2.479 . . . . 9.64 104.308 174.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.38 122.52 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 107.135 -1.431 . . . . 9.27 107.135 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t -116.81 120.97 66.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-O 115.279 -2.296 . . . . 10.47 110.415 -174.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -166.92 147.62 5.78 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 127.123 2.764 . . . . 21.73 105.951 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . 0.464 ' CB ' ' O ' ' A' ' 188' ' ' HOH . 19.0 p-10 -84.77 -3.98 58.85 Favored 'General case' 0 C--O 1.272 2.261 0 O-C-N 127.545 3.028 . . . . 22.31 109.375 177.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -103.79 120.8 41.71 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.191 -1.804 . . . . 15.72 109.593 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . 0.685 ' O ' ' CD ' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.03 -45.87 75.23 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.073 -1.876 . . . . 20.86 114.451 178.978 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -65.73 -36.01 82.37 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 113.028 -1.897 . . . . 13.74 110.552 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.1 tpp -69.22 -37.02 77.84 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 125.764 1.915 . . . . 20.57 109.818 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . 0.437 ' NH2' ' NH2' ' A' ' 19' ' ' ARG . 77.0 mtm-85 -59.95 -42.51 94.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.673 -0.642 . . . . 13.86 112.138 174.919 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . 0.685 ' CD ' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -67.55 -39.18 84.98 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 115.423 -2.227 . . . . 30.61 108.197 -179.609 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.16 -50.87 78.21 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-N 120.012 1.278 . . . . 10.9 110.668 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.01 -43.75 96.77 Favored 'Isoleucine or valine' 0 C--O 1.265 1.916 0 C-N-CA 123.943 0.897 . . . . 10.55 113.191 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.94 -37.94 84.09 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.741 -0.663 . . . . 19.31 109.931 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 204' ' ' HOH . 21.7 t-20 -74.27 -40.7 62.16 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 116.347 -1.787 . . . . 22.78 112.322 -178.371 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -49.31 78.28 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 128.277 3.486 . . . . 12.88 109.332 173.988 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -46.82 80.54 Favored 'General case' 0 C--N 1.376 1.723 0 O-C-N 125.218 1.574 . . . . 11.11 112.458 178.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . 0.867 ' CE ' ' O ' ' A' ' 167' ' ' HOH . 0.0 OUTLIER -51.71 -41.99 61.89 Favored 'General case' 0 C--N 1.267 -2.984 0 CA-C-O 123.706 1.717 . . . . 19.72 110.21 179.677 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -67.6 -27.46 66.92 Favored 'General case' 0 C--O 1.26 1.623 0 C-N-CA 125.58 1.552 . . . . 17.18 108.206 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -8.9 48.58 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 116.095 -1.907 . . . . 13.8 111.197 178.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.44 9.43 35.9 Favored Glycine 0 C--N 1.3 -1.438 0 C-N-CA 125.612 1.577 . . . . 12.71 111.764 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -101.53 101.4 11.97 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 119.99 -1.888 . . . . 12.94 108.175 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -101.47 -5.13 25.65 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 126.739 2.524 . . . . 15.84 115.588 -177.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . 0.364 0.4 OUTLIER -86.95 84.07 7.4 Favored 'General case' 0 C--N 1.26 -3.316 0 CA-C-O 112.475 -3.631 . . . . 22.96 110.324 -179.033 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.85 135.27 61.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 1 O-C-N 132.007 5.817 . . . . 14.28 110.381 -176.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.18 160.29 25.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 106.253 -1.758 . . . . 29.92 106.253 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . 0.677 ' OE1' ' NH2' ' A' ' 19' ' ' ARG . 45.2 mt-10 -125.03 154.74 40.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 124.841 2.257 . . . . 17.31 115.03 -176.648 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.37 148.41 33.33 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 112.809 -1.996 . . . . 12.22 107.271 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -90.83 -19.96 22.84 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 116.122 1.897 . . . . 27.59 116.122 -174.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -166.42 -179.96 5.25 Favored 'General case' 0 C--O 1.272 2.244 0 N-CA-C 104.827 -2.286 . . . . 14.82 104.827 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.16 -44.13 96.61 Favored Glycine 0 C--O 1.25 1.152 0 O-C-N 126.394 2.308 . . . . 12.33 116.603 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.322 1.8 m -69.9 -35.62 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 115.919 -2.313 . . . . 16.38 110.402 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.2 -42.84 99.3 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 123.995 1.855 . . . . 14.22 110.154 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.14 78.94 Favored 'General case' 0 N--CA 1.508 2.472 0 CA-C-N 114.332 -1.304 . . . . 12.16 112.509 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.53 -38.91 75.46 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.448 1.499 . . . . 14.07 114.125 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.98 -46.47 85.12 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.719 -1.215 . . . . 18.13 107.719 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.94 -43.55 71.4 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 125.225 1.578 . . . . 25.92 112.326 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.59 -14.93 60.06 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 119.865 1.211 . . . . 25.86 111.479 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -65.06 -44.22 89.69 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 127.092 2.157 . . . . 34.34 109.69 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.37 -25.41 35.1 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 113.24 -1.8 . . . . 30.31 111.876 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.02 179.61 52.6 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 127.495 2.474 . . . . 27.42 116.008 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.58 10.46 86.18 Favored Glycine 0 N--CA 1.424 -2.134 0 C-N-CA 128.708 3.052 . . . . 21.76 117.165 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -76.93 149.89 35.98 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.64 -2.6 . . . . 16.52 109.728 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.16 -2.78 7.63 Favored Glycine 0 C--N 1.306 -1.094 0 CA-C-N 121.257 1.844 . . . . 12.65 114.27 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -164.24 136.83 4.92 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 117.378 -1.729 . . . . 11.82 107.107 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 72' ' ' ILE . 26.8 mt -118.66 138.41 49.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.6 3.062 . . . . 11.84 106.668 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.55 114.3 41.88 Favored 'Isoleucine or valine' 0 C--O 1.26 1.637 0 N-CA-C 102.972 -2.973 . . . . 9.19 102.972 171.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 t -126.74 144.21 51.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 113.93 1.085 . . . . 13.67 113.93 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASP . . . . . 0.588 ' OD2' ' NZ ' ' A' ' 109' ' ' LYS . 12.0 t70 -84.05 146.3 28.02 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 105.077 -2.194 . . . . 18.31 105.077 178.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -68.8 -43.67 75.17 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 124.569 1.148 . . . . 16.53 109.142 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -100.31 101.32 12.29 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.812 1.041 . . . . 20.55 113.812 -173.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 46.7 mtm -141.46 152.06 62.6 Favored Pre-proline 0 N--CA 1.504 2.232 0 CA-C-O 113.232 -3.271 . . . . 12.57 104.569 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 157.26 21.48 Favored 'Trans proline' 0 N--CA 1.431 -2.159 0 O-C-N 128.284 3.781 . . . . 12.52 110.943 177.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 80.12 -57.35 0.35 Allowed 'General case' 0 C--N 1.27 -2.885 0 C-N-CA 128.691 2.796 . . . . 13.04 111.884 174.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.6 ttm -143.88 108.26 4.81 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 115.017 -2.421 . . . . 18.21 104.916 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -80.08 176.57 9.63 Favored 'General case' 0 N--CA 1.487 1.397 1 O-C-N 129.825 4.453 . . . . 15.51 110.131 -176.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.68 -47.09 87.71 Favored Glycine 0 C--O 1.261 1.807 0 CA-C-O 115.411 -2.883 . . . . 10.71 110.934 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.39 -40.18 95.65 Favored 'General case' 0 C--O 1.256 1.445 0 O-C-N 127.086 2.286 . . . . 11.58 111.643 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -68.55 -42.38 78.49 Favored 'General case' 0 CA--C 1.49 -1.363 0 C-N-CA 118.253 -1.379 . . . . 20.25 112.39 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.86 -49.92 75.83 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 109.826 -0.435 . . . . 10.01 109.826 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.9 tp -51.6 -50.32 60.41 Favored 'General case' 0 N--CA 1.522 3.154 0 CA-C-N 114.985 -1.007 . . . . 9.83 110.512 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -61.45 -35.21 76.95 Favored 'General case' 0 C--O 1.267 2.008 0 O-C-N 119.81 -1.806 . . . . 24.86 110.927 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.8 m -72.26 -37.3 69.11 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 124.29 0.994 . . . . 13.76 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . 0.477 ' CD1' ' CD1' ' A' ' 54' ' ' ILE . 54.3 mt -68.19 -38.74 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 115.147 -0.933 . . . . 14.02 109.668 -178.189 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -71.07 -32.43 69.1 Favored 'General case' 0 C--O 1.272 2.283 0 O-C-N 124.322 1.014 . . . . 16.79 110.176 -177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.12 -9.25 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 117.104 -1.427 . . . . 19.99 110.82 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.35 118.18 32.35 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 122.329 2.331 . . . . 25.5 110.247 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.3 p -54.62 -31.69 57.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.154 -1.839 . . . . 28.16 110.99 -174.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.66 -18.87 27.03 Favored 'General case' 0 C--O 1.254 1.299 0 O-C-N 125.728 1.892 . . . . 24.27 112.961 -176.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 56.3 mtm -124.53 0.48 8.22 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 112.966 -3.397 . . . . 28.64 112.179 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -61.56 -7.97 3.85 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-O 112.29 -3.719 . . . . 18.43 116.147 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.59 -6.83 22.36 Favored 'General case' 0 C--O 1.266 1.968 0 CA-C-N 123.424 2.829 . . . . 17.02 110.832 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 131.49 83.88 Favored Pre-proline 0 C--O 1.269 2.087 0 O-C-N 124.704 1.253 . . . . 16.39 112.318 -177.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -66.78 136.86 43.45 Favored 'Trans proline' 0 C--N 1.298 -2.099 0 C-N-CA 122.461 2.107 . . . . 10.86 107.731 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -130.34 113.71 26.58 Favored 'Isoleucine or valine' 0 C--O 1.264 1.866 0 O-C-N 125.948 2.03 . . . . 9.08 109.693 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.2 tp -96.16 121.08 37.54 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 106.181 -1.785 . . . . 10.17 106.181 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 tpp -91.11 138.75 31.36 Favored 'General case' 0 C--O 1.261 1.711 0 CA-C-O 122.78 1.276 . . . . 18.68 109.241 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.96 131.83 58.63 Favored 'Isoleucine or valine' 0 C--O 1.284 2.894 0 O-C-N 118.038 -2.914 . . . . 12.09 109.436 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.8 t -137.88 157.51 46.26 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 107.019 -1.475 . . . . 17.72 107.019 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.51 42.47 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 125.542 1.776 . . . . 19.7 109.697 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.61 123.34 1.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 127.655 3.097 . . . . 34.38 109.286 -178.612 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.87 130.34 42.51 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 113.303 -1.771 . . . . 24.36 108.447 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -135.8 125.17 24.85 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 102.724 -3.065 . . . . 25.91 102.724 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . 0.735 ' CD ' ' O ' ' A' ' 205' ' ' HOH . 0.0 OUTLIER -45.55 -50.5 12.96 Favored 'General case' 0 C--O 1.258 1.519 1 O-C-N 129.413 4.195 . . . . 23.2 112.454 179.572 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -67.4 -26.57 66.5 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.082 2.219 . . . . 25.49 113.325 -176.443 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.08 -47.27 65.67 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.982 1.713 . . . . 15.66 110.353 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.43 -45.14 97.19 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 O-C-N 127.124 2.765 . . . . 14.22 109.13 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . 0.787 ' CG1' ' O ' ' A' ' 205' ' ' HOH . 0.3 OUTLIER -66.74 -47.3 83.41 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 125.362 1.664 . . . . 17.58 110.317 -178.579 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.68 79.33 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 120.419 -1.425 . . . . 11.92 109.983 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.07 87.94 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 114.86 -2.495 . . . . 10.48 110.743 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.53 79.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.12 2.763 . . . . 12.42 112.967 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.31 -25.08 68.14 Favored 'General case' 0 C--O 1.268 2.054 0 CA-C-O 117.849 -1.072 . . . . 21.68 110.693 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.01 -3.25 58.77 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 119.066 0.848 . . . . 14.41 112.398 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.03 13.12 22.38 Favored Glycine 0 N--CA 1.501 2.993 0 C-N-CA 116.778 -2.63 . . . . 11.23 116.305 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.31 143.6 56.72 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 122.239 3.02 . . . . 10.05 106.7 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 m -80.15 -28.81 38.81 Favored 'General case' 0 C--O 1.289 3.141 0 O-C-N 125.26 1.6 . . . . 11.07 111.521 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.45 -174.63 41.37 Favored Glycine 0 CA--C 1.554 2.469 0 O-C-N 118.327 -2.733 . . . . 12.28 108.412 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . 0.942 ' CD1' ' O ' ' A' ' 106' ' ' TYR 0.286 0.0 OUTLIER -152.49 144.63 23.86 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 126.772 2.029 . . . . 30.61 108.399 -174.46 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -141.61 142.85 28.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 118.923 -2.361 . . . . 16.15 108.875 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -99.32 130.47 48.26 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 N-CA-C 107.389 -1.338 . . . . 12.09 107.389 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . 0.588 ' NZ ' ' OD2' ' A' ' 57' ' ' ASP . 16.1 pttt -92.86 149.63 38.08 Favored Pre-proline 0 N--CA 1.485 1.281 0 O-C-N 124.813 1.321 . . . . 19.89 108.424 -179.763 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.31 155.5 98.31 Favored 'Cis proline' 0 N--CA 1.425 -2.521 0 O-C-N 123.689 1.363 . . . . 11.14 109.342 1.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -141.9 162.89 34.34 Favored 'General case' 0 C--O 1.265 1.879 0 O-C-N 126.216 2.197 . . . . 11.74 106.4 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.0 p -102.3 173.97 6.12 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 127.347 2.905 . . . . 12.6 110.536 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.43 93.58 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 124.236 0.96 . . . . 12.92 113.189 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -44.83 84.07 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 121.864 -0.522 . . . . 12.06 110.287 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.2 m -66.53 -46.0 77.61 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 123.089 1.424 . . . . 11.98 107.161 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -41.2 94.95 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 116.808 -1.957 . . . . 13.46 108.416 -175.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.43 -46.33 86.71 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 113.544 -1.662 . . . . 23.66 109.428 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.59 -42.17 98.47 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 127.918 3.261 . . . . 29.29 110.949 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' CE ' ' O ' ' A' ' 184' ' ' HOH . 36.2 mmtt -62.82 -48.1 80.54 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 107.786 -1.19 . . . . 21.86 107.786 -179.309 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 21.3 mt -59.05 -50.74 72.92 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 117.657 -1.617 . . . . 13.9 110.022 -179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -54.33 -43.31 71.09 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.334 1.064 . . . . 20.77 110.864 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 124.282 1.991 . . . . 30.06 111.306 177.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.59 -47.26 83.97 Favored 'Isoleucine or valine' 0 C--O 1.289 3.14 0 O-C-N 120.467 -1.396 . . . . 16.24 109.05 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -59.44 -39.37 83.35 Favored 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 118.085 -1.446 . . . . 18.45 108.627 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.59 -47.77 82.33 Favored 'General case' 0 C--O 1.28 2.697 0 O-C-N 126.339 2.275 . . . . 27.84 112.518 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.45 -35.68 81.23 Favored 'General case' 0 C--O 1.267 2.004 0 CA-C-N 114.486 -1.234 . . . . 24.92 111.961 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' LEU . . . . . 0.654 ' CD2' ' CE ' ' A' ' 129' ' ' MET . 5.4 mp -91.47 -3.58 56.45 Favored 'General case' 0 C--O 1.208 -1.128 0 N-CA-C 113.46 0.911 . . . . 24.94 113.46 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.89 46.14 90.36 Favored Glycine 0 C--N 1.298 -1.573 0 C-N-CA 126.011 1.767 . . . . 28.79 111.463 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' MET . . . . . 0.654 ' CE ' ' CD2' ' A' ' 127' ' ' LEU . 51.8 mtm . . . . . 0 C--O 1.278 2.604 0 CA-C-O 111.813 -3.946 . . . . 35.14 109.466 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . 0.867 ' O ' ' CE ' ' A' ' 26' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . 0.426 ' O ' ' CE ' ' A' ' 119' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . 0.464 ' O ' ' CB ' ' A' ' 13' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.476 ' O ' ' ND2' ' A' ' 23' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.787 ' O ' ' CG1' ' A' ' 96' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 109.788 -0.449 . . . . 27.59 109.788 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -65.34 124.52 22.45 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 115.028 -2.415 . . . . 27.199999999999999 109.575 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -13.25 22.13 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 120.973 1.715 . . . . 25.899999999999999 111.368 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -94.05 6.32 48.91 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 111.989 0.366 . . . . 17.940000000000001 111.989 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.88 135.66 51.97 Favored 'General case' 0 C--O 1.268 2.038 0 N-CA-C 107.41 -1.329 . . . . 16.5 107.41 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.623 ' HA ' ' HB3' ' A' ' 32' ' ' ASN . 26.1 ttpt -88.04 115.95 25.87 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.513 1.525 . . . . 21.52 108.967 -178.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -97.18 146.42 25.09 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 113.529 -1.669 . . . . 12.279999999999999 111.496 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp -116.3 117.81 31.01 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 104.308 -2.479 . . . . 9.6400000000000006 104.308 174.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.38 122.52 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 107.135 -1.431 . . . . 9.2699999999999996 107.135 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . 0.407 HG12 ' SD ' ' A' ' 60' ' ' MET . 5.2 t -116.81 120.97 66.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-O 115.279 -2.296 . . . . 10.470000000000001 110.415 -174.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -166.92 147.62 5.78 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 127.123 2.764 . . . . 21.73 105.951 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' A' ' 188' ' ' HOH . 19.0 p-10 -84.77 -3.98 58.85 Favored 'General case' 0 C--O 1.272 2.261 0 O-C-N 127.545 3.028 . . . . 22.309999999999999 109.375 177.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -103.79 120.8 41.71 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.191 -1.804 . . . . 15.720000000000001 109.593 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . 1.001 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.03 -45.87 75.23 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.073 -1.876 . . . . 20.859999999999999 114.451 178.978 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -65.73 -36.01 82.37 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 113.028 -1.897 . . . . 13.74 110.552 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.1 tpp -69.22 -37.02 77.84 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 125.764 1.915 . . . . 20.57 109.818 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . 0.722 HH21 ' NH2' ' A' ' 19' ' ' ARG . 77.0 mtm-85 -59.95 -42.51 94.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.673 -0.642 . . . . 13.859999999999999 112.138 174.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . 1.001 ' HD2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -67.55 -39.18 84.98 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 115.423 -2.227 . . . . 30.609999999999999 108.197 -179.609 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.16 -50.87 78.21 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-N 120.012 1.278 . . . . 10.9 110.668 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.01 -43.75 96.77 Favored 'Isoleucine or valine' 0 C--O 1.265 1.916 0 C-N-CA 123.943 0.897 . . . . 10.550000000000001 113.191 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.94 -37.94 84.09 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.741 -0.663 . . . . 19.309999999999999 109.931 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -40.7 62.16 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 116.347 -1.787 . . . . 22.780000000000001 112.322 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.52 -49.31 78.28 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 128.277 3.486 . . . . 12.880000000000001 109.332 173.988 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -46.82 80.54 Favored 'General case' 0 C--N 1.376 1.723 0 O-C-N 125.218 1.574 . . . . 11.109999999999999 112.458 178.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . 1.04 ' HE2' ' O ' ' A' ' 167' ' ' HOH . 0.0 OUTLIER -51.71 -41.99 61.89 Favored 'General case' 0 C--N 1.267 -2.984 0 CA-C-O 123.706 1.717 . . . . 19.719999999999999 110.21 179.677 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -67.6 -27.46 66.92 Favored 'General case' 0 C--O 1.26 1.623 0 C-N-CA 125.58 1.552 . . . . 17.18 108.206 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -8.9 48.58 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 116.095 -1.907 . . . . 13.800000000000001 111.197 178.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.44 9.43 35.9 Favored Glycine 0 C--N 1.3 -1.438 0 C-N-CA 125.612 1.577 . . . . 12.710000000000001 111.764 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -101.53 101.4 11.97 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 119.99 -1.888 . . . . 12.94 108.175 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 11.6 m120 -101.47 -5.13 25.65 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 126.739 2.524 . . . . 15.84 115.588 -177.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . 0.667 ' HB2' ' O ' ' A' ' 138' ' ' HOH 0.364 0.4 OUTLIER -86.95 84.07 7.4 Favored 'General case' 0 C--N 1.26 -3.316 0 CA-C-O 112.475 -3.631 . . . . 22.960000000000001 110.324 -179.033 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.85 135.27 61.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 1 O-C-N 132.007 5.817 . . . . 14.279999999999999 110.381 -176.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.18 160.29 25.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 106.253 -1.758 . . . . 29.920000000000002 106.253 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.615 ' OE1' ' NH2' ' A' ' 19' ' ' ARG . 45.2 mt-10 -125.03 154.74 40.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 124.841 2.257 . . . . 17.309999999999999 115.03 -176.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.37 148.41 33.33 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 112.809 -1.996 . . . . 12.220000000000001 107.271 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -90.83 -19.96 22.84 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 116.122 1.897 . . . . 27.59 116.122 -174.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -166.42 -179.96 5.25 Favored 'General case' 0 C--O 1.272 2.244 0 N-CA-C 104.827 -2.286 . . . . 14.82 104.827 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.16 -44.13 96.61 Favored Glycine 0 C--O 1.25 1.152 0 O-C-N 126.394 2.308 . . . . 12.33 116.603 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.322 1.8 m -69.9 -35.62 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 115.919 -2.313 . . . . 16.379999999999999 110.402 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.2 -42.84 99.3 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 123.995 1.855 . . . . 14.220000000000001 110.154 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.14 78.94 Favored 'General case' 0 N--CA 1.508 2.472 0 CA-C-N 114.332 -1.304 . . . . 12.16 112.509 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.53 -38.91 75.46 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.448 1.499 . . . . 14.07 114.125 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -57.98 -46.47 85.12 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.719 -1.215 . . . . 18.129999999999999 107.719 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.94 -43.55 71.4 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 125.225 1.578 . . . . 25.920000000000002 112.326 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.59 -14.93 60.06 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 119.865 1.211 . . . . 25.859999999999999 111.479 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -65.06 -44.22 89.69 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 127.092 2.157 . . . . 34.340000000000003 109.69 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.37 -25.41 35.1 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 113.24 -1.8 . . . . 30.309999999999999 111.876 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.02 179.61 52.6 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 127.495 2.474 . . . . 27.420000000000002 116.008 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.58 10.46 86.18 Favored Glycine 0 N--CA 1.424 -2.134 0 C-N-CA 128.708 3.052 . . . . 21.760000000000002 117.165 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -76.93 149.89 35.98 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.64 -2.6 . . . . 16.52 109.728 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.16 -2.78 7.63 Favored Glycine 0 C--N 1.306 -1.094 0 CA-C-N 121.257 1.844 . . . . 12.65 114.27 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -164.24 136.83 4.92 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 117.378 -1.729 . . . . 11.82 107.107 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . 0.781 HD13 HD13 ' A' ' 72' ' ' ILE . 26.8 mt -118.66 138.41 49.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.6 3.062 . . . . 11.84 106.668 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.55 114.3 41.88 Favored 'Isoleucine or valine' 0 C--O 1.26 1.637 0 N-CA-C 102.972 -2.973 . . . . 9.1899999999999995 102.972 171.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 t -126.74 144.21 51.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 113.93 1.085 . . . . 13.67 113.93 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.05 146.3 28.02 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 105.077 -2.194 . . . . 18.309999999999999 105.077 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -68.8 -43.67 75.17 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 124.569 1.148 . . . . 16.530000000000001 109.142 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -100.31 101.32 12.29 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.812 1.041 . . . . 20.550000000000001 113.812 -173.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 11' ' ' VAL . 46.7 mtm -141.46 152.06 62.6 Favored Pre-proline 0 N--CA 1.504 2.232 0 CA-C-O 113.232 -3.271 . . . . 12.57 104.569 -179.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 157.26 21.48 Favored 'Trans proline' 0 N--CA 1.431 -2.159 0 O-C-N 128.284 3.781 . . . . 12.52 110.943 177.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 80.12 -57.35 0.35 Allowed 'General case' 0 C--N 1.27 -2.885 0 C-N-CA 128.691 2.796 . . . . 13.039999999999999 111.884 174.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.6 ttm -143.88 108.26 4.81 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 115.017 -2.421 . . . . 18.210000000000001 104.916 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD1' ' HG3' ' A' ' 67' ' ' GLU . 33.7 p30 -80.08 176.57 9.63 Favored 'General case' 0 N--CA 1.487 1.397 1 O-C-N 129.825 4.453 . . . . 15.51 110.131 -176.787 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.68 -47.09 87.71 Favored Glycine 0 C--O 1.261 1.807 0 CA-C-O 115.411 -2.883 . . . . 10.710000000000001 110.934 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.39 -40.18 95.65 Favored 'General case' 0 C--O 1.256 1.445 0 O-C-N 127.086 2.286 . . . . 11.58 111.643 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . 0.558 ' HG3' ' OD1' ' A' ' 64' ' ' ASP . 49.2 mt-10 -68.55 -42.38 78.49 Favored 'General case' 0 CA--C 1.49 -1.363 0 C-N-CA 118.253 -1.379 . . . . 20.25 112.39 179.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.86 -49.92 75.83 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 109.826 -0.435 . . . . 10.01 109.826 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.9 tp -51.6 -50.32 60.41 Favored 'General case' 0 N--CA 1.522 3.154 0 CA-C-N 114.985 -1.007 . . . . 9.8300000000000001 110.512 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -61.45 -35.21 76.95 Favored 'General case' 0 C--O 1.267 2.008 0 O-C-N 119.81 -1.806 . . . . 24.859999999999999 110.927 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.8 m -72.26 -37.3 69.11 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 124.29 0.994 . . . . 13.76 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . 0.781 HD13 HD13 ' A' ' 54' ' ' ILE . 54.3 mt -68.19 -38.74 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 115.147 -0.933 . . . . 14.02 109.668 -178.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -71.07 -32.43 69.1 Favored 'General case' 0 C--O 1.272 2.283 0 O-C-N 124.322 1.014 . . . . 16.789999999999999 110.176 -177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.12 -9.25 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 117.104 -1.427 . . . . 19.989999999999998 110.82 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.35 118.18 32.35 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 122.329 2.331 . . . . 25.5 110.247 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.3 p -54.62 -31.69 57.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.154 -1.839 . . . . 28.16 110.99 -174.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.66 -18.87 27.03 Favored 'General case' 0 C--O 1.254 1.299 0 O-C-N 125.728 1.892 . . . . 24.27 112.961 -176.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' MET . . . . . 0.406 ' HB3' HD22 ' A' ' 81' ' ' LEU . 56.3 mtm -124.53 0.48 8.22 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 112.966 -3.397 . . . . 28.640000000000001 112.179 -177.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -61.56 -7.97 3.85 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-O 112.29 -3.719 . . . . 18.43 116.147 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.59 -6.83 22.36 Favored 'General case' 0 C--O 1.266 1.968 0 CA-C-N 123.424 2.829 . . . . 17.02 110.832 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 78' ' ' MET . 0.1 OUTLIER -58.12 131.49 83.88 Favored Pre-proline 0 C--O 1.269 2.087 0 O-C-N 124.704 1.253 . . . . 16.390000000000001 112.318 -177.546 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -66.78 136.86 43.45 Favored 'Trans proline' 0 C--N 1.298 -2.099 0 C-N-CA 122.461 2.107 . . . . 10.859999999999999 107.731 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -130.34 113.71 26.58 Favored 'Isoleucine or valine' 0 C--O 1.264 1.866 0 O-C-N 125.948 2.03 . . . . 9.0800000000000001 109.693 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.2 tp -96.16 121.08 37.54 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 106.181 -1.785 . . . . 10.17 106.181 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 tpp -91.11 138.75 31.36 Favored 'General case' 0 C--O 1.261 1.711 0 CA-C-O 122.78 1.276 . . . . 18.68 109.241 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.96 131.83 58.63 Favored 'Isoleucine or valine' 0 C--O 1.284 2.894 0 O-C-N 118.038 -2.914 . . . . 12.09 109.436 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.8 t -137.88 157.51 46.26 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 107.019 -1.475 . . . . 17.719999999999999 107.019 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.51 42.47 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 125.542 1.776 . . . . 19.699999999999999 109.697 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.61 123.34 1.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 127.655 3.097 . . . . 34.380000000000003 109.286 -178.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 177' ' ' HOH . . . -68.87 130.34 42.51 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 113.303 -1.771 . . . . 24.359999999999999 108.447 -178.579 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -135.8 125.17 24.85 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 102.724 -3.065 . . . . 25.91 102.724 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . 0.753 ' HD2' ' O ' ' A' ' 205' ' ' HOH . 0.0 OUTLIER -45.55 -50.5 12.96 Favored 'General case' 0 C--O 1.258 1.519 1 O-C-N 129.413 4.195 . . . . 23.199999999999999 112.454 179.572 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . 0.502 ' OE2' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -67.4 -26.57 66.5 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.082 2.219 . . . . 25.489999999999998 113.325 -176.443 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.08 -47.27 65.67 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.982 1.713 . . . . 15.66 110.353 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.43 -45.14 97.19 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 O-C-N 127.124 2.765 . . . . 14.220000000000001 109.13 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . 0.945 HG12 ' O ' ' A' ' 205' ' ' HOH . 0.3 OUTLIER -66.74 -47.3 83.41 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 125.362 1.664 . . . . 17.579999999999998 110.317 -178.579 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.68 79.33 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 120.419 -1.425 . . . . 11.92 109.983 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.07 87.94 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 114.86 -2.495 . . . . 10.48 110.743 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.53 79.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.12 2.763 . . . . 12.42 112.967 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.31 -25.08 68.14 Favored 'General case' 0 C--O 1.268 2.054 0 CA-C-O 117.849 -1.072 . . . . 21.68 110.693 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.01 -3.25 58.77 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 119.066 0.848 . . . . 14.41 112.398 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.03 13.12 22.38 Favored Glycine 0 N--CA 1.501 2.993 0 C-N-CA 116.778 -2.63 . . . . 11.23 116.305 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.31 143.6 56.72 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 122.239 3.02 . . . . 10.050000000000001 106.7 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 m -80.15 -28.81 38.81 Favored 'General case' 0 C--O 1.289 3.141 0 O-C-N 125.26 1.6 . . . . 11.07 111.521 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.45 -174.63 41.37 Favored Glycine 0 CA--C 1.554 2.469 0 O-C-N 118.327 -2.733 . . . . 12.279999999999999 108.412 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . 1.126 ' HD1' ' O ' ' A' ' 106' ' ' TYR 0.286 0.0 OUTLIER -152.49 144.63 23.86 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 126.772 2.029 . . . . 30.609999999999999 108.399 -174.46 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -141.61 142.85 28.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 118.923 -2.361 . . . . 16.149999999999999 108.875 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -99.32 130.47 48.26 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 N-CA-C 107.389 -1.338 . . . . 12.09 107.389 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -92.86 149.63 38.08 Favored Pre-proline 0 N--CA 1.485 1.281 0 O-C-N 124.813 1.321 . . . . 19.890000000000001 108.424 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.31 155.5 98.31 Favored 'Cis proline' 0 N--CA 1.425 -2.521 0 O-C-N 123.689 1.363 . . . . 11.140000000000001 109.342 1.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -141.9 162.89 34.34 Favored 'General case' 0 C--O 1.265 1.879 0 O-C-N 126.216 2.197 . . . . 11.74 106.4 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.0 p -102.3 173.97 6.12 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 127.347 2.905 . . . . 12.6 110.536 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.43 93.58 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 124.236 0.96 . . . . 12.92 113.189 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -44.83 84.07 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 121.864 -0.522 . . . . 12.06 110.287 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.2 m -66.53 -46.0 77.61 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 123.089 1.424 . . . . 11.98 107.161 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . 0.426 HD12 ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.75 -41.2 94.95 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 116.808 -1.957 . . . . 13.460000000000001 108.416 -175.843 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.43 -46.33 86.71 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 113.544 -1.662 . . . . 23.66 109.428 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.59 -42.17 98.47 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 127.918 3.261 . . . . 29.289999999999999 110.949 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' CE ' ' O ' ' A' ' 184' ' ' HOH . 36.2 mmtt -62.82 -48.1 80.54 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 107.786 -1.19 . . . . 21.859999999999999 107.786 -179.309 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 116' ' ' LEU . 21.3 mt -59.05 -50.74 72.92 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 117.657 -1.617 . . . . 13.9 110.022 -179.021 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -54.33 -43.31 71.09 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.334 1.064 . . . . 20.77 110.864 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 124.282 1.991 . . . . 30.059999999999999 111.306 177.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.59 -47.26 83.97 Favored 'Isoleucine or valine' 0 C--O 1.289 3.14 0 O-C-N 120.467 -1.396 . . . . 16.239999999999998 109.05 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' PHE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 129' ' ' MET . 24.6 m-85 -59.44 -39.37 83.35 Favored 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 118.085 -1.446 . . . . 18.449999999999999 108.627 -178.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.59 -47.77 82.33 Favored 'General case' 0 C--O 1.28 2.697 0 O-C-N 126.339 2.275 . . . . 27.84 112.518 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.45 -35.68 81.23 Favored 'General case' 0 C--O 1.267 2.004 0 CA-C-N 114.486 -1.234 . . . . 24.920000000000002 111.961 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' LEU . . . . . 0.824 ' CD2' ' HE2' ' A' ' 129' ' ' MET . 5.4 mp -91.47 -3.58 56.45 Favored 'General case' 0 C--O 1.208 -1.128 0 N-CA-C 113.46 0.911 . . . . 24.940000000000001 113.46 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.89 46.14 90.36 Favored Glycine 0 C--N 1.298 -1.573 0 C-N-CA 126.011 1.767 . . . . 28.789999999999999 111.463 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' MET . . . . . 0.824 ' HE2' ' CD2' ' A' ' 127' ' ' LEU . 51.8 mtm . . . . . 0 C--O 1.278 2.604 0 CA-C-O 111.813 -3.946 . . . . 35.140000000000001 109.466 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . 0.667 ' O ' ' HB2' ' A' ' 32' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . 1.04 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . 0.58 ' O ' HD11 ' A' ' 96' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . 0.483 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . 0.426 ' O ' ' CE ' ' A' ' 119' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . 0.584 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.945 ' O ' HG12 ' A' ' 96' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.422 ' O ' ' HD2' ' A' ' 106' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . 0.505 ' O ' ' HG3' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.237 0 N-CA-C 109.788 -0.449 . . . . 27.59 109.788 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -65.34 124.52 22.45 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 115.028 -2.415 . . . . 27.199999999999999 109.575 173.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.8 -13.25 22.13 Favored 'General case' 0 C--O 1.248 1.018 0 CA-C-N 120.973 1.715 . . . . 25.899999999999999 111.368 176.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -94.05 6.32 48.91 Favored 'General case' 0 C--O 1.255 1.354 0 N-CA-C 111.989 0.366 . . . . 17.940000000000001 111.989 -178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.88 135.66 51.97 Favored 'General case' 0 C--O 1.268 2.038 0 N-CA-C 107.41 -1.329 . . . . 16.5 107.41 178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.623 ' HA ' ' HB3' ' A' ' 32' ' ' ASN . 26.1 ttpt -88.04 115.95 25.87 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 125.513 1.525 . . . . 21.52 108.967 -178.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -97.18 146.42 25.09 Favored 'General case' 0 C--O 1.252 1.185 0 CA-C-N 113.529 -1.669 . . . . 12.279999999999999 111.496 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp -116.3 117.81 31.01 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 104.308 -2.479 . . . . 9.6400000000000006 104.308 174.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.8 t -103.38 122.52 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 107.135 -1.431 . . . . 9.2699999999999996 107.135 178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.407 HG12 ' SD ' ' A' ' 60' ' ' MET . 5.2 t -116.81 120.97 66.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-O 115.279 -2.296 . . . . 10.470000000000001 110.415 -174.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -166.92 147.62 5.78 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 127.123 2.764 . . . . 21.73 105.951 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' A' ' 188' ' ' HOH . 19.0 p-10 -84.77 -3.98 58.85 Favored 'General case' 0 C--O 1.272 2.261 0 O-C-N 127.545 3.028 . . . . 22.309999999999999 109.375 177.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -103.79 120.8 41.71 Favored 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 117.191 -1.804 . . . . 15.720000000000001 109.593 175.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . 1.001 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 0.3 OUTLIER -55.03 -45.87 75.23 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 113.073 -1.876 . . . . 20.859999999999999 114.451 178.978 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.3 m -65.73 -36.01 82.37 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-N 113.028 -1.897 . . . . 13.74 110.552 -177.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.1 tpp -69.22 -37.02 77.84 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 125.764 1.915 . . . . 20.57 109.818 178.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.722 HH21 ' NH2' ' A' ' 19' ' ' ARG . 77.0 mtm-85 -59.95 -42.51 94.2 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.673 -0.642 . . . . 13.859999999999999 112.138 174.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . 1.001 ' HD2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -67.55 -39.18 84.98 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 115.423 -2.227 . . . . 30.609999999999999 108.197 -179.609 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -59.16 -50.87 78.21 Favored 'Isoleucine or valine' 0 C--O 1.265 1.87 0 CA-C-N 120.012 1.278 . . . . 10.9 110.668 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.01 -43.75 96.77 Favored 'Isoleucine or valine' 0 C--O 1.265 1.916 0 C-N-CA 123.943 0.897 . . . . 10.550000000000001 113.191 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -60.94 -37.94 84.09 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.741 -0.663 . . . . 19.309999999999999 109.931 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -74.27 -40.7 62.16 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 116.347 -1.787 . . . . 22.780000000000001 112.322 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' HB3' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.52 -49.31 78.28 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 128.277 3.486 . . . . 12.880000000000001 109.332 173.988 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -46.82 80.54 Favored 'General case' 0 C--N 1.376 1.723 0 O-C-N 125.218 1.574 . . . . 11.109999999999999 112.458 178.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.04 ' HE2' ' O ' ' A' ' 167' ' ' HOH . 0.0 OUTLIER -51.71 -41.99 61.89 Favored 'General case' 0 C--N 1.267 -2.984 0 CA-C-O 123.706 1.717 . . . . 19.719999999999999 110.21 179.677 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -67.6 -27.46 66.92 Favored 'General case' 0 C--O 1.26 1.623 0 C-N-CA 125.58 1.552 . . . . 17.18 108.206 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.72 -8.9 48.58 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-O 116.095 -1.907 . . . . 13.800000000000001 111.197 178.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 104.44 9.43 35.9 Favored Glycine 0 C--N 1.3 -1.438 0 C-N-CA 125.612 1.577 . . . . 12.710000000000001 111.764 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -101.53 101.4 11.97 Favored 'General case' 0 C--O 1.239 0.518 0 O-C-N 119.99 -1.888 . . . . 12.94 108.175 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' HA ' ' CE ' ' A' ' 26' ' ' LYS . 36.7 m-80 -101.47 -5.13 25.65 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 126.739 2.524 . . . . 15.84 115.588 -177.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.667 ' HB2' ' O ' ' A' ' 138' ' ' HOH 0.364 0.4 OUTLIER -86.95 84.07 7.4 Favored 'General case' 0 C--N 1.26 -3.316 0 CA-C-O 112.475 -3.631 . . . . 22.960000000000001 110.324 -179.033 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.85 135.27 61.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.32 1 O-C-N 132.007 5.817 . . . . 14.279999999999999 110.381 -176.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -122.18 160.29 25.46 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 106.253 -1.758 . . . . 29.920000000000002 106.253 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.615 ' OE1' ' NH2' ' A' ' 19' ' ' ARG . 45.2 mt-10 -125.03 154.74 40.8 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 124.841 2.257 . . . . 17.309999999999999 115.03 -176.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.37 148.41 33.33 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 112.809 -1.996 . . . . 12.220000000000001 107.271 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -90.83 -19.96 22.84 Favored 'General case' 0 C--O 1.261 1.664 0 N-CA-C 116.122 1.897 . . . . 27.59 116.122 -174.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.3 p30 -166.42 -179.96 5.25 Favored 'General case' 0 C--O 1.272 2.244 0 N-CA-C 104.827 -2.286 . . . . 14.82 104.827 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.16 -44.13 96.61 Favored Glycine 0 C--O 1.25 1.152 0 O-C-N 126.394 2.308 . . . . 12.33 116.603 -176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . 0.322 1.8 m -69.9 -35.62 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 115.919 -2.313 . . . . 16.379999999999999 110.402 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -61.2 -42.84 99.3 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 123.995 1.855 . . . . 14.220000000000001 110.154 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.14 78.94 Favored 'General case' 0 N--CA 1.508 2.472 0 CA-C-N 114.332 -1.304 . . . . 12.16 112.509 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -57.53 -38.91 75.46 Favored 'General case' 0 CA--C 1.512 -0.5 0 C-N-CA 125.448 1.499 . . . . 14.07 114.125 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.98 -46.47 85.12 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.719 -1.215 . . . . 18.129999999999999 107.719 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -69.94 -43.55 71.4 Favored 'General case' 0 CA--C 1.49 -1.346 0 O-C-N 125.225 1.578 . . . . 25.920000000000002 112.326 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.59 -14.93 60.06 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 119.865 1.211 . . . . 25.859999999999999 111.479 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -65.06 -44.22 89.69 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 127.092 2.157 . . . . 34.340000000000003 109.69 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.37 -25.41 35.1 Favored 'General case' 0 C--N 1.296 -1.727 0 CA-C-N 113.24 -1.8 . . . . 30.309999999999999 111.876 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.02 179.61 52.6 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 127.495 2.474 . . . . 27.420000000000002 116.008 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.58 10.46 86.18 Favored Glycine 0 N--CA 1.424 -2.134 0 C-N-CA 128.708 3.052 . . . . 21.760000000000002 117.165 177.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -76.93 149.89 35.98 Favored 'General case' 0 C--O 1.263 1.807 0 CA-C-O 114.64 -2.6 . . . . 16.52 109.728 179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -125.16 -2.78 7.63 Favored Glycine 0 C--N 1.306 -1.094 0 CA-C-N 121.257 1.844 . . . . 12.65 114.27 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -164.24 136.83 4.92 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 117.378 -1.729 . . . . 11.82 107.107 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.781 HD13 HD13 ' A' ' 72' ' ' ILE . 26.8 mt -118.66 138.41 49.46 Favored 'Isoleucine or valine' 0 C--O 1.252 1.184 0 O-C-N 127.6 3.062 . . . . 11.84 106.668 179.674 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.0 mt -122.55 114.3 41.88 Favored 'Isoleucine or valine' 0 C--O 1.26 1.637 0 N-CA-C 102.972 -2.973 . . . . 9.1899999999999995 102.972 171.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 t -126.74 144.21 51.01 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 113.93 1.085 . . . . 13.67 113.93 -177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -84.05 146.3 28.02 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 105.077 -2.194 . . . . 18.309999999999999 105.077 178.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -68.8 -43.67 75.17 Favored 'General case' 0 C--N 1.294 -1.835 0 C-N-CA 124.569 1.148 . . . . 16.530000000000001 109.142 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -100.31 101.32 12.29 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 113.812 1.041 . . . . 20.550000000000001 113.812 -173.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . 0.407 ' SD ' HG12 ' A' ' 11' ' ' VAL . 46.7 mtm -141.46 152.06 62.6 Favored Pre-proline 0 N--CA 1.504 2.232 0 CA-C-O 113.232 -3.271 . . . . 12.57 104.569 -179.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 157.26 21.48 Favored 'Trans proline' 0 N--CA 1.431 -2.159 0 O-C-N 128.284 3.781 . . . . 12.52 110.943 177.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 80.12 -57.35 0.35 Allowed 'General case' 0 C--N 1.27 -2.885 0 C-N-CA 128.691 2.796 . . . . 13.039999999999999 111.884 174.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 56.6 ttm -143.88 108.26 4.81 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 115.017 -2.421 . . . . 18.210000000000001 104.916 177.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.558 ' OD1' ' HG3' ' A' ' 67' ' ' GLU . 33.7 p30 -80.08 176.57 9.63 Favored 'General case' 0 N--CA 1.487 1.397 1 O-C-N 129.825 4.453 . . . . 15.51 110.131 -176.787 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -56.68 -47.09 87.71 Favored Glycine 0 C--O 1.261 1.807 0 CA-C-O 115.411 -2.883 . . . . 10.710000000000001 110.934 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 61.7 tp -62.39 -40.18 95.65 Favored 'General case' 0 C--O 1.256 1.445 0 O-C-N 127.086 2.286 . . . . 11.58 111.643 -177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.558 ' HG3' ' OD1' ' A' ' 64' ' ' ASP . 49.2 mt-10 -68.55 -42.38 78.49 Favored 'General case' 0 CA--C 1.49 -1.363 0 C-N-CA 118.253 -1.379 . . . . 20.25 112.39 179.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.86 -49.92 75.83 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 109.826 -0.435 . . . . 10.01 109.826 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.9 tp -51.6 -50.32 60.41 Favored 'General case' 0 N--CA 1.522 3.154 0 CA-C-N 114.985 -1.007 . . . . 9.8300000000000001 110.512 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -61.45 -35.21 76.95 Favored 'General case' 0 C--O 1.267 2.008 0 O-C-N 119.81 -1.806 . . . . 24.859999999999999 110.927 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 24.8 m -72.26 -37.3 69.11 Favored 'General case' 0 C--O 1.247 0.922 0 O-C-N 124.29 0.994 . . . . 13.76 110.904 179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.781 HD13 HD13 ' A' ' 54' ' ' ILE . 54.3 mt -68.19 -38.74 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 115.147 -0.933 . . . . 14.02 109.668 -178.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.9 mmt-85 -71.07 -32.43 69.1 Favored 'General case' 0 C--O 1.272 2.283 0 O-C-N 124.322 1.014 . . . . 16.789999999999999 110.176 -177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.12 -9.25 59.7 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-O 117.104 -1.427 . . . . 19.989999999999998 110.82 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -96.35 118.18 32.35 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 122.329 2.331 . . . . 25.5 110.247 -174.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.3 p -54.62 -31.69 57.65 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 113.154 -1.839 . . . . 28.16 110.99 -174.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -88.66 -18.87 27.03 Favored 'General case' 0 C--O 1.254 1.299 0 O-C-N 125.728 1.892 . . . . 24.27 112.961 -176.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' MET . . . . . 0.406 ' HB3' HD22 ' A' ' 81' ' ' LEU . 56.3 mtm -124.53 0.48 8.22 Favored 'General case' 0 C--N 1.289 -2.053 0 CA-C-O 112.966 -3.397 . . . . 28.640000000000001 112.179 -177.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 55.3 p -61.56 -7.97 3.85 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-O 112.29 -3.719 . . . . 18.43 116.147 -170.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.59 -6.83 22.36 Favored 'General case' 0 C--O 1.266 1.968 0 CA-C-N 123.424 2.829 . . . . 17.02 110.832 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 78' ' ' MET . 0.1 OUTLIER -58.12 131.49 83.88 Favored Pre-proline 0 C--O 1.269 2.087 0 O-C-N 124.704 1.253 . . . . 16.390000000000001 112.318 -177.546 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -66.78 136.86 43.45 Favored 'Trans proline' 0 C--N 1.298 -2.099 0 C-N-CA 122.461 2.107 . . . . 10.859999999999999 107.731 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 54.4 t -130.34 113.71 26.58 Favored 'Isoleucine or valine' 0 C--O 1.264 1.866 0 O-C-N 125.948 2.03 . . . . 9.0800000000000001 109.693 177.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 45.2 tp -96.16 121.08 37.54 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 106.181 -1.785 . . . . 10.17 106.181 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 tpp -91.11 138.75 31.36 Favored 'General case' 0 C--O 1.261 1.711 0 CA-C-O 122.78 1.276 . . . . 18.68 109.241 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.7 t -108.96 131.83 58.63 Favored 'Isoleucine or valine' 0 C--O 1.284 2.894 0 O-C-N 118.038 -2.914 . . . . 12.09 109.436 176.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.8 t -137.88 157.51 46.26 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 107.019 -1.475 . . . . 17.719999999999999 107.019 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.4 -16.51 42.47 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 125.542 1.776 . . . . 19.699999999999999 109.697 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.61 123.34 1.8 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 127.655 3.097 . . . . 34.380000000000003 109.286 -178.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 177' ' ' HOH . . . -68.87 130.34 42.51 Favored 'General case' 0 C--O 1.26 1.639 0 CA-C-N 113.303 -1.771 . . . . 24.359999999999999 108.447 -178.579 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -135.8 125.17 24.85 Favored 'General case' 0 C--N 1.288 -2.089 0 N-CA-C 102.724 -3.065 . . . . 25.91 102.724 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.753 ' HD2' ' O ' ' A' ' 205' ' ' HOH . 0.0 OUTLIER -45.55 -50.5 12.96 Favored 'General case' 0 C--O 1.258 1.519 1 O-C-N 129.413 4.195 . . . . 23.199999999999999 112.454 179.572 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.502 ' OE2' ' HG3' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -67.4 -26.57 66.5 Favored 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 122.082 2.219 . . . . 25.489999999999998 113.325 -176.443 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -69.08 -47.27 65.67 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.982 1.713 . . . . 15.66 110.353 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.6 mt -60.43 -45.14 97.19 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 O-C-N 127.124 2.765 . . . . 14.220000000000001 109.13 178.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.945 HG12 ' O ' ' A' ' 205' ' ' HOH . 0.3 OUTLIER -66.74 -47.3 83.41 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.734 0 O-C-N 125.362 1.664 . . . . 17.579999999999998 110.317 -178.579 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.03 -48.68 79.33 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 120.419 -1.425 . . . . 11.92 109.983 -179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.46 -46.07 87.94 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 114.86 -2.495 . . . . 10.48 110.743 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -57.8 -48.53 79.44 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 127.12 2.763 . . . . 12.42 112.967 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -63.31 -25.08 68.14 Favored 'General case' 0 C--O 1.268 2.054 0 CA-C-O 117.849 -1.072 . . . . 21.68 110.693 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.01 -3.25 58.77 Favored 'General case' 0 C--O 1.257 1.45 0 CA-C-N 119.066 0.848 . . . . 14.41 112.398 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.03 13.12 22.38 Favored Glycine 0 N--CA 1.501 2.993 0 C-N-CA 116.778 -2.63 . . . . 11.23 116.305 174.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.31 143.6 56.72 Favored 'General case' 0 C--N 1.305 -1.35 0 CA-C-N 122.239 3.02 . . . . 10.050000000000001 106.7 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.7 m -80.15 -28.81 38.81 Favored 'General case' 0 C--O 1.289 3.141 0 O-C-N 125.26 1.6 . . . . 11.07 111.521 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -174.45 -174.63 41.37 Favored Glycine 0 CA--C 1.554 2.469 0 O-C-N 118.327 -2.733 . . . . 12.279999999999999 108.412 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . 1.126 ' HD1' ' O ' ' A' ' 106' ' ' TYR 0.286 0.0 OUTLIER -152.49 144.63 23.86 Favored 'General case' 0 C--N 1.292 -1.922 0 C-N-CA 126.772 2.029 . . . . 30.609999999999999 108.399 -174.46 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -141.61 142.85 28.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 118.923 -2.361 . . . . 16.149999999999999 108.875 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.4 t -99.32 130.47 48.26 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 N-CA-C 107.389 -1.338 . . . . 12.09 107.389 178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -92.86 149.63 38.08 Favored Pre-proline 0 N--CA 1.485 1.281 0 O-C-N 124.813 1.321 . . . . 19.890000000000001 108.424 -179.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.31 155.5 98.31 Favored 'Cis proline' 0 N--CA 1.425 -2.521 0 O-C-N 123.689 1.363 . . . . 11.140000000000001 109.342 1.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -141.9 162.89 34.34 Favored 'General case' 0 C--O 1.265 1.879 0 O-C-N 126.216 2.197 . . . . 11.74 106.4 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 61.0 p -102.3 173.97 6.12 Favored 'General case' 0 C--O 1.255 1.359 0 O-C-N 127.347 2.905 . . . . 12.6 110.536 -178.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.43 93.58 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 124.236 0.96 . . . . 12.92 113.189 174.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.21 -44.83 84.07 Favored 'General case' 0 C--N 1.368 1.393 0 O-C-N 121.864 -0.522 . . . . 12.06 110.287 177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 52.2 m -66.53 -46.0 77.61 Favored 'General case' 0 C--O 1.254 1.318 0 CA-C-O 123.089 1.424 . . . . 11.98 107.161 -176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.426 HD12 ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.75 -41.2 94.95 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 116.808 -1.957 . . . . 13.460000000000001 108.416 -175.843 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -58.43 -46.33 86.71 Favored 'General case' 0 C--O 1.24 0.576 0 CA-C-N 113.544 -1.662 . . . . 23.66 109.428 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -61.59 -42.17 98.47 Favored 'General case' 0 C--O 1.258 1.53 0 O-C-N 127.918 3.261 . . . . 29.289999999999999 110.949 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.426 ' CE ' ' O ' ' A' ' 184' ' ' HOH . 36.2 mmtt -62.82 -48.1 80.54 Favored 'General case' 0 C--O 1.255 1.343 0 N-CA-C 107.786 -1.19 . . . . 21.859999999999999 107.786 -179.309 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 116' ' ' LEU . 21.3 mt -59.05 -50.74 72.92 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 117.657 -1.617 . . . . 13.9 110.022 -179.021 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -54.33 -43.31 71.09 Favored 'General case' 0 N--CA 1.5 2.027 0 CA-C-O 122.334 1.064 . . . . 20.77 110.864 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -58.44 -48.01 82.11 Favored 'General case' 0 C--N 1.275 -2.651 0 CA-C-O 124.282 1.991 . . . . 30.059999999999999 111.306 177.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.59 -47.26 83.97 Favored 'Isoleucine or valine' 0 C--O 1.289 3.14 0 O-C-N 120.467 -1.396 . . . . 16.239999999999998 109.05 -177.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 129' ' ' MET . 24.6 m-85 -59.44 -39.37 83.35 Favored 'General case' 0 CA--C 1.565 1.546 0 C-N-CA 118.085 -1.446 . . . . 18.449999999999999 108.627 -178.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -62.59 -47.77 82.33 Favored 'General case' 0 C--O 1.28 2.697 0 O-C-N 126.339 2.275 . . . . 27.84 112.518 178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.45 -35.68 81.23 Favored 'General case' 0 C--O 1.267 2.004 0 CA-C-N 114.486 -1.234 . . . . 24.920000000000002 111.961 -178.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.824 ' CD2' ' HE2' ' A' ' 129' ' ' MET . 5.4 mp -91.47 -3.58 56.45 Favored 'General case' 0 C--O 1.208 -1.128 0 N-CA-C 113.46 0.911 . . . . 24.940000000000001 113.46 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 64.89 46.14 90.36 Favored Glycine 0 C--N 1.298 -1.573 0 C-N-CA 126.011 1.767 . . . . 28.789999999999999 111.463 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' MET . . . . . 0.824 ' HE2' ' CD2' ' A' ' 127' ' ' LEU . 51.8 mtm . . . . . 0 C--O 1.278 2.604 0 CA-C-O 111.813 -3.946 . . . . 35.140000000000001 109.466 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . 0.667 ' O ' ' HB2' ' A' ' 32' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . 1.04 ' O ' ' HE2' ' A' ' 26' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . 0.58 ' O ' HD11 ' A' ' 96' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . 0.483 ' O ' ' HA ' ' A' ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . 0.426 ' O ' ' CE ' ' A' ' 119' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . 0.584 ' O ' ' HB2' ' A' ' 13' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . 0.413 ' O ' ' HB3' ' A' ' 92' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.945 ' O ' HG12 ' A' ' 96' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.422 ' O ' ' HD2' ' A' ' 106' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . 0.505 ' O ' ' HG3' ' A' ' 67' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_