data_4hjb_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 4hjb _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 ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 60.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ARG . . . . . 0.874 ' CD ' ' HG2' ' C' ' 4' ' ' GLN . . . -74.45 150.56 39.88 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 120.624 -1.298 . . . . 37.42 107.542 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 89.5 mmm -63.81 -35.0 79.17 Favored 'General case' 0 N--CA 1.416 -2.127 0 O-C-N 119.215 -2.178 . . . . 58.15 110.7 -168.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -63.82 -44.94 91.74 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 121.207 1.822 . . . . 45.88 108.969 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLN . . . . . 0.874 ' HG2' ' CD ' ' C' ' 1' ' ' ARG . 26.9 mm100 -65.88 -39.28 90.54 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-N 118.335 0.516 . . . . 36.63 110.551 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.93 -46.93 95.08 Favored 'Isoleucine or valine' 0 C--O 1.285 2.967 0 O-C-N 121.267 -0.896 . . . . 18.75 110.435 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -30.54 68.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 120.564 1.529 . . . . 37.4 111.434 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.62 -43.82 79.48 Favored 'General case' 0 C--O 1.257 1.464 0 CA-C-N 116.243 -0.435 . . . . 32.81 110.614 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . 0.521 ' HE3' ' HB2' ' A' ' 10' ' ' GLU . 46.4 mttp -61.55 -44.45 97.02 Favored 'General case' 0 C--O 1.268 2.028 0 O-C-N 122.307 -0.245 . . . . 18.03 111.222 178.06 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.67 -41.67 91.17 Favored 'General case' 0 C--O 1.268 2.048 0 O-C-N 118.728 -2.483 . . . . 14.6 110.818 174.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -65.54 -44.09 87.91 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 118.35 -0.833 . . . . 22.17 110.863 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.67 -39.53 91.7 Favored 'General case' 0 C--O 1.287 3.044 0 CA-C-N 118.525 0.602 . . . . 54.65 109.701 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.7 -46.37 94.82 Favored 'Isoleucine or valine' 0 C--O 1.285 2.971 0 O-C-N 119.591 -1.943 . . . . 12.97 109.471 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.11 -36.11 78.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 118.395 -2.69 . . . . 22.77 110.718 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -65.49 -47.06 77.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 122.093 -0.379 . . . . 16.45 110.107 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -64.69 -40.86 96.11 Favored 'General case' 0 C--O 1.292 3.318 0 N-CA-C 108.763 -0.828 . . . . 40.34 108.763 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.87 -37.28 86.24 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 117.297 -3.377 . . . . 15.8 109.265 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.73 -40.58 92.31 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 122.019 2.191 . . . . 72.02 110.479 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.21 -38.48 85.37 Favored 'General case' 0 CA--C 1.478 -1.794 0 O-C-N 120.197 -1.564 . . . . 31.94 109.983 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.45 -47.56 92.45 Favored 'Isoleucine or valine' 0 C--O 1.293 3.374 0 CA-C-N 120.112 1.324 . . . . 21.03 109.049 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.48 -42.97 95.57 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 118.517 -2.615 . . . . 72.08 111.37 -177.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.82 -28.47 69.02 Favored 'General case' 0 C--O 1.287 3.05 0 O-C-N 120.148 -1.595 . . . . 18.55 113.975 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -85.85 -7.22 58.86 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 123.805 3.002 . . . . 20.0 114.17 -171.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 31.8 mt -46.64 -43.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.269 2.127 0 N-CA-C 115.901 1.815 . . . . 19.2 115.901 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . . . -62.97 -18.33 63.11 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 121.085 1.766 . . . . 44.34 108.893 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.17 -33.16 74.81 Favored 'General case' 0 C--O 1.252 1.196 0 O-C-N 120.351 -1.468 . . . . 27.6 112.339 179.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.47 -5.04 15.9 Favored 'General case' 0 C--O 1.259 1.57 0 C-N-CA 126.01 1.724 . . . . 41.88 110.289 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 O-C-N 122.087 -0.383 . . . . 35.61 113.598 -179.677 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 . . . . . . . . 26.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -64.34 -35.64 81.53 Favored 'General case' 0 CA--C 1.457 -2.628 0 O-C-N 119.391 -2.068 . . . . 83.0 112.83 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.68 -35.92 73.05 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 119.346 -0.942 . . . . 29.6 110.924 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -72.84 -31.17 64.58 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.083 -1.821 . . . . 47.22 106.083 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -66.74 -41.12 88.35 Favored 'General case' 0 C--O 1.267 2.007 0 O-C-N 119.909 -1.745 . . . . 67.19 107.318 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.32 -48.55 87.79 Favored 'Isoleucine or valine' 0 C--O 1.275 2.395 0 CA-C-N 121.14 1.791 . . . . 21.22 107.673 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.72 -39.37 93.82 Favored 'General case' 0 C--O 1.266 1.956 0 CA-C-N 121.736 2.062 . . . . 19.37 108.956 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -66.94 -41.37 87.09 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 119.086 0.857 . . . . 30.63 109.668 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -66.53 -37.21 84.53 Favored 'General case' 0 C--O 1.267 2.008 0 O-C-N 120.679 -1.263 . . . . 31.0 109.154 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.41 -34.68 77.75 Favored 'General case' 0 C--O 1.269 2.118 0 CA-C-N 121.936 2.153 . . . . 17.47 109.31 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . 0.521 ' HB2' ' HE3' ' C' ' 8' ' ' LYS . 33.6 tp10 -65.83 -42.78 90.14 Favored 'General case' 0 C--O 1.296 3.503 0 CA-C-N 122.506 2.412 . . . . 25.21 108.977 173.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.53 -43.81 97.89 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 117.996 -2.94 . . . . 32.11 109.421 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.0 -45.45 95.39 Favored 'Isoleucine or valine' 1 C--O 1.307 4.104 0 C-N-CA 124.489 1.116 . . . . 14.17 109.371 175.656 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.63 -37.39 84.74 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 117.149 -3.47 . . . . 23.48 110.717 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.3 m -69.45 -40.16 77.33 Favored 'General case' 0 C--O 1.291 3.279 0 O-C-N 121.393 -0.817 . . . . 27.0 111.18 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.81 -39.57 91.03 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 120.824 -1.172 . . . . 41.35 109.464 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.9 -37.99 89.14 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-N 122.136 2.244 . . . . 15.4 109.841 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . 0.497 ' OH ' ' OE2' ' B' ' 6' ' ' GLU . 55.3 t80 -65.33 -39.22 92.15 Favored 'General case' 0 C--O 1.281 2.743 0 CA-C-N 122.131 2.241 . . . . 34.38 107.749 178.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.06 -38.97 92.54 Favored 'General case' 0 C--O 1.262 1.733 0 O-C-N 121.069 -1.019 . . . . 31.97 110.314 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.86 -47.05 92.46 Favored 'Isoleucine or valine' 0 C--O 1.287 3.06 0 C-N-CA 126.352 1.861 . . . . 16.34 109.664 175.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.33 -44.11 92.53 Favored 'General case' 0 C--N 1.279 -2.47 0 O-C-N 117.718 -3.114 . . . . 42.18 109.441 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.49 -40.38 94.37 Favored 'General case' 0 C--O 1.297 3.605 0 O-C-N 120.026 -1.671 . . . . 40.54 114.607 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.258 79.8 mt -79.56 -10.74 59.85 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 115.012 1.486 . . . . 15.73 115.012 -169.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.32 -42.15 15.59 Favored 'Isoleucine or valine' 0 C--O 1.271 2.194 0 N-CA-C 114.853 1.427 . . . . 20.82 114.853 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -67.8 -21.4 65.23 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 119.933 -1.729 . . . . 57.57 110.847 -174.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 mt -53.44 -37.84 62.98 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-N 114.616 -1.174 . . . . 31.74 112.356 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.26 2.78 24.87 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 113.099 0.777 . . . . 40.41 113.099 -171.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.663 0 CA-C-N 115.893 -0.594 . . . . 33.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 . . . . . . . . 30.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -65.69 -35.18 80.01 Favored 'General case' 0 C--O 1.292 3.294 0 O-C-N 119.975 -1.703 . . . . 34.93 111.595 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . 0.427 ' CE ' ' CD1' ' D' ' 5' ' ' ILE . 91.3 mmm -71.8 -39.98 69.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 118.944 -2.348 . . . . 42.77 108.007 -177.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -37.59 81.55 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 121.539 1.972 . . . . 44.03 110.481 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -68.22 -41.56 81.09 Favored 'General case' 0 C--O 1.275 2.417 0 N-CA-C 105.592 -2.003 . . . . 58.41 105.592 -176.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -63.98 -43.64 97.69 Favored 'Isoleucine or valine' 0 C--O 1.297 3.563 0 O-C-N 120.105 -1.622 . . . . 22.29 108.405 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . 0.665 ' OE1' ' O ' ' B' ' 122' ' ' HOH . 48.3 mt-10 -60.12 -39.44 86.27 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 118.565 -2.584 . . . . 50.53 111.595 178.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.38 -39.37 85.63 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 119.727 1.149 . . . . 41.13 109.643 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -65.47 -34.79 79.11 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-O 116.388 -1.768 . . . . 35.94 108.828 175.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.93 -37.27 78.79 Favored 'General case' 0 N--CA 1.41 -2.455 0 CA-C-N 124.848 3.476 . . . . 18.35 107.193 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -66.28 -38.32 87.51 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 122.153 2.251 . . . . 33.78 111.227 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.38 -41.94 96.42 Favored 'General case' 0 C--O 1.27 2.182 0 N-CA-C 107.939 -1.134 . . . . 50.35 107.939 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.06 -43.82 98.19 Favored 'Isoleucine or valine' 1 C--O 1.326 5.092 0 O-C-N 119.718 -1.864 . . . . 15.7 108.021 177.203 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.11 -30.23 69.34 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 123.498 2.863 . . . . 21.03 109.736 179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 72.1 m -68.12 -46.33 71.17 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 120.471 1.487 . . . . 25.72 110.543 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.63 -40.62 92.61 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.381 -2.074 . . . . 24.84 108.281 174.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.39 -36.08 81.94 Favored 'General case' 0 C--O 1.295 3.478 0 CA-C-N 123.727 2.967 . . . . 16.07 107.161 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.03 -44.7 75.88 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 123.027 2.649 . . . . 18.1 107.705 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -60.33 -44.17 95.74 Favored 'General case' 0 C--O 1.298 3.645 0 N-CA-C 106.739 -1.578 . . . . 24.41 106.739 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.8 mt -64.73 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--O 1.281 2.728 0 O-C-N 117.721 -3.112 . . . . 14.37 110.646 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . 0.619 ' HA ' ' OE1' ' B' ' 20' ' ' GLU 0.254 5.2 mm-40 -73.74 -38.63 64.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 O-C-N 117.239 -3.413 . . . . 23.69 113.134 176.705 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.34 -35.96 80.45 Favored 'General case' 0 C--N 1.264 -3.115 0 O-C-N 119.499 -2.0 . . . . 15.58 116.252 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 mt -84.42 -10.87 57.15 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 122.365 2.348 . . . . 20.57 114.174 -169.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mt -45.21 -45.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-N 121.033 1.742 . . . . 18.24 115.637 -179.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -66.19 -18.69 65.51 Favored 'General case' 0 N--CA 1.434 -1.272 0 O-C-N 120.123 -1.611 . . . . 56.94 108.564 -171.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.92 -31.23 71.68 Favored 'General case' 0 C--O 1.287 3.029 0 N-CA-C 112.168 0.433 . . . . 22.97 112.168 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.36 171.01 7.97 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.667 1.222 . . . . 30.19 109.132 -172.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.03 0 CA-C-N 114.332 -1.304 . . . . 33.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.278 2.579 . . . . . . . . 26.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -62.78 -34.99 78.41 Favored 'General case' 0 C--O 1.268 2.054 0 O-C-N 119.642 -1.911 . . . . 31.93 114.383 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.82 -40.45 83.82 Favored 'General case' 0 CA--C 1.479 -1.784 0 O-C-N 120.545 -1.347 . . . . 43.69 111.314 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LYS . . . . . 0.442 ' HA ' ' OE2' ' D' ' 6' ' ' GLU . 30.5 tttm -63.04 -37.21 86.27 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 118.966 0.803 . . . . 53.79 109.523 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -64.32 -43.89 93.26 Favored 'General case' 0 C--O 1.286 3.021 0 N-CA-C 108.485 -0.931 . . . . 68.04 108.485 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ILE . . . . . 0.427 ' CD1' ' CE ' ' B' ' 2' ' ' MET . 91.1 mt -61.59 -45.02 99.53 Favored 'Isoleucine or valine' 0 C--O 1.286 2.996 0 CA-C-N 120.157 1.344 . . . . 33.71 108.724 176.164 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' GLU . . . . . 0.442 ' OE2' ' HA ' ' D' ' 3' ' ' LYS . 44.8 mt-10 -58.12 -42.85 86.66 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 120.074 -1.641 . . . . 28.84 114.624 176.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.4 -41.98 93.08 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 123.232 0.613 . . . . 43.46 109.431 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -66.63 -36.21 82.03 Favored 'General case' 0 C--O 1.299 3.698 0 CA-C-O 117.678 -1.153 . . . . 28.11 108.426 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.67 -34.42 77.82 Favored 'General case' 0 C--O 1.276 2.493 0 CA-C-N 123.862 3.028 . . . . 21.01 109.198 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -66.58 -37.68 85.45 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 122.656 2.48 . . . . 42.6 110.428 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -67.45 -40.2 85.38 Favored 'General case' 0 C--O 1.274 2.382 0 O-C-N 121.098 -1.001 . . . . 40.92 109.971 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.29 -46.15 96.37 Favored 'Isoleucine or valine' 0 C--O 1.289 3.155 0 O-C-N 120.331 -1.481 . . . . 14.53 108.566 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.13 -39.94 91.94 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 122.843 2.565 . . . . 23.78 110.215 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 62.4 m -63.8 -43.02 97.56 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 120.047 1.294 . . . . 22.06 110.615 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.59 -37.79 85.65 Favored 'General case' 0 C--O 1.302 3.825 0 O-C-N 120.823 -1.173 . . . . 33.71 111.019 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.9 -35.64 77.09 Favored 'General case' 0 C--O 1.281 2.746 0 O-C-N 119.958 -1.714 . . . . 15.37 108.575 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -43.24 92.27 Favored 'General case' 0 C--O 1.27 2.139 0 CA-C-N 121.678 2.036 . . . . 40.12 108.995 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' HIS . . . . . 0.467 ' ND1' ' OE2' ' B' ' 20' ' ' GLU . 56.0 t-80 -63.08 -38.3 90.63 Favored 'General case' 0 C--O 1.282 2.814 0 O-C-N 119.565 -1.959 . . . . 36.0 109.685 178.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.09 -46.04 88.93 Favored 'Isoleucine or valine' 0 C--O 1.27 2.156 0 CA-C-N 121.422 1.919 . . . . 15.48 109.63 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -32.34 65.0 Favored 'General case' 0 C--O 1.273 2.33 0 O-C-N 117.877 -3.014 . . . . 28.47 109.736 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' GLU . . . . . 0.619 ' OE1' ' OE1' ' B' ' 20' ' ' GLU . 47.3 mt-10 -60.25 -34.34 73.58 Favored 'General case' 0 CA--C 1.457 -2.626 0 N-CA-C 115.721 1.749 . . . . 55.15 115.721 -179.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 33.5 mt -84.36 -7.3 59.35 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 116.588 -1.672 . . . . 18.39 112.734 -167.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mt -45.07 -43.47 2.8 Favored 'Isoleucine or valine' 0 C--O 1.285 2.939 0 N-CA-C 114.892 1.441 . . . . 21.65 114.892 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -69.19 -18.95 63.97 Favored 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 122.679 2.491 . . . . 37.5 108.323 -170.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.39 -33.65 76.46 Favored 'General case' 0 C--O 1.294 3.422 0 CA-C-O 116.703 -1.618 . . . . 25.24 112.535 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -115.88 3.23 13.7 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 122.287 2.312 . . . . 33.72 112.192 -168.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.733 -0.947 . . . . 36.94 110.733 170.633 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . 0.455 ' O ' ' CD ' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . 0.665 ' O ' ' OE1' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 60.270000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ARG . . . . . 0.89 ' CD ' ' HG2' ' C' ' 4' ' ' GLN . . . -74.45 150.56 39.88 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 120.624 -1.298 . . . . 37.420000000000002 107.542 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 89.5 mmm -63.81 -35.0 79.17 Favored 'General case' 0 N--CA 1.416 -2.127 0 O-C-N 119.215 -2.178 . . . . 58.149999999999999 110.7 -168.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -63.82 -44.94 91.74 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 121.207 1.822 . . . . 45.880000000000003 108.969 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLN . . . . . 0.89 ' HG2' ' CD ' ' C' ' 1' ' ' ARG . 94.0 mm-40 -65.88 -39.28 90.54 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-N 118.335 0.516 . . . . 36.630000000000003 110.551 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.93 -46.93 95.08 Favored 'Isoleucine or valine' 0 C--O 1.285 2.967 0 O-C-N 121.267 -0.896 . . . . 18.75 110.435 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -30.54 68.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 120.564 1.529 . . . . 37.399999999999999 111.434 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.62 -43.82 79.48 Favored 'General case' 0 C--O 1.257 1.464 0 CA-C-N 116.243 -0.435 . . . . 32.810000000000002 110.614 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . 0.542 ' HE3' ' HB2' ' A' ' 10' ' ' GLU . 46.4 mttp -61.55 -44.45 97.02 Favored 'General case' 0 C--O 1.268 2.028 0 O-C-N 122.307 -0.245 . . . . 26.120000000000001 111.222 178.06 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.67 -41.67 91.17 Favored 'General case' 0 C--O 1.268 2.048 0 O-C-N 118.728 -2.483 . . . . 14.6 110.818 174.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -65.54 -44.09 87.91 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 118.35 -0.833 . . . . 22.170000000000002 110.863 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.67 -39.53 91.7 Favored 'General case' 0 C--O 1.287 3.044 0 CA-C-N 118.525 0.602 . . . . 54.649999999999999 109.701 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.7 -46.37 94.82 Favored 'Isoleucine or valine' 0 C--O 1.285 2.971 0 O-C-N 119.591 -1.943 . . . . 12.970000000000001 109.471 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.11 -36.11 78.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 118.395 -2.69 . . . . 22.77 110.718 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -65.49 -47.06 77.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 122.093 -0.379 . . . . 20.52 110.107 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -64.69 -40.86 96.11 Favored 'General case' 0 C--O 1.292 3.318 0 N-CA-C 108.763 -0.828 . . . . 40.340000000000003 108.763 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.87 -37.28 86.24 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 117.297 -3.377 . . . . 15.800000000000001 109.265 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.73 -40.58 92.31 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 122.019 2.191 . . . . 72.019999999999996 110.479 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.21 -38.48 85.37 Favored 'General case' 0 CA--C 1.478 -1.794 0 O-C-N 120.197 -1.564 . . . . 31.940000000000001 109.983 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.45 -47.56 92.45 Favored 'Isoleucine or valine' 0 C--O 1.293 3.374 0 CA-C-N 120.112 1.324 . . . . 15.09 109.049 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.48 -42.97 95.57 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 118.517 -2.615 . . . . 72.079999999999998 111.37 -177.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.82 -28.47 69.02 Favored 'General case' 0 C--O 1.287 3.05 0 O-C-N 120.148 -1.595 . . . . 18.550000000000001 113.975 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -85.85 -7.22 58.86 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 123.805 3.002 . . . . 20.0 114.17 -171.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 31.8 mt -46.64 -43.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.269 2.127 0 N-CA-C 115.901 1.815 . . . . 19.199999999999999 115.901 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . . . -62.97 -18.33 63.11 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 121.085 1.766 . . . . 44.340000000000003 108.893 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.17 -33.16 74.81 Favored 'General case' 0 C--O 1.252 1.196 0 O-C-N 120.351 -1.468 . . . . 24.739999999999998 112.339 179.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.47 -5.04 15.9 Favored 'General case' 0 C--O 1.259 1.57 0 C-N-CA 126.01 1.724 . . . . 41.880000000000003 110.289 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 O-C-N 122.087 -0.383 . . . . 35.609999999999999 113.598 -179.677 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 . . . . . . . . 26.870000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -64.34 -35.64 81.53 Favored 'General case' 0 CA--C 1.457 -2.628 0 O-C-N 119.391 -2.068 . . . . 83.0 112.83 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.68 -35.92 73.05 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 119.346 -0.942 . . . . 29.600000000000001 110.924 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -72.84 -31.17 64.58 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.083 -1.821 . . . . 47.219999999999999 106.083 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -66.74 -41.12 88.35 Favored 'General case' 0 C--O 1.267 2.007 0 O-C-N 119.909 -1.745 . . . . 67.189999999999998 107.318 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.32 -48.55 87.79 Favored 'Isoleucine or valine' 0 C--O 1.275 2.395 0 CA-C-N 121.14 1.791 . . . . 21.219999999999999 107.673 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.72 -39.37 93.82 Favored 'General case' 0 C--O 1.266 1.956 0 CA-C-N 121.736 2.062 . . . . 19.370000000000001 108.956 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -66.94 -41.37 87.09 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 119.086 0.857 . . . . 30.629999999999999 109.668 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -66.53 -37.21 84.53 Favored 'General case' 0 C--O 1.267 2.008 0 O-C-N 120.679 -1.263 . . . . 31.0 109.154 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.41 -34.68 77.75 Favored 'General case' 0 C--O 1.269 2.118 0 CA-C-N 121.936 2.153 . . . . 16.170000000000002 109.31 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.542 ' HB2' ' HE3' ' C' ' 8' ' ' LYS . 33.6 tp10 -65.83 -42.78 90.14 Favored 'General case' 0 C--O 1.296 3.503 0 CA-C-N 122.506 2.412 . . . . 25.210000000000001 108.977 173.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.53 -43.81 97.89 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 117.996 -2.94 . . . . 32.109999999999999 109.421 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.0 -45.45 95.39 Favored 'Isoleucine or valine' 1 C--O 1.307 4.104 0 C-N-CA 124.489 1.116 . . . . 14.17 109.371 175.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.63 -37.39 84.74 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 117.149 -3.47 . . . . 23.48 110.717 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.3 m -69.45 -40.16 77.33 Favored 'General case' 0 C--O 1.291 3.279 0 O-C-N 121.393 -0.817 . . . . 27.0 111.18 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.81 -39.57 91.03 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 120.824 -1.172 . . . . 41.350000000000001 109.464 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.9 -37.99 89.14 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-N 122.136 2.244 . . . . 15.4 109.841 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -65.33 -39.22 92.15 Favored 'General case' 0 C--O 1.281 2.743 0 CA-C-N 122.131 2.241 . . . . 34.380000000000003 107.749 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.06 -38.97 92.54 Favored 'General case' 0 C--O 1.262 1.733 0 O-C-N 121.069 -1.019 . . . . 31.969999999999999 110.314 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.86 -47.05 92.46 Favored 'Isoleucine or valine' 0 C--O 1.287 3.06 0 C-N-CA 126.352 1.861 . . . . 16.34 109.664 175.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.33 -44.11 92.53 Favored 'General case' 0 C--N 1.279 -2.47 0 O-C-N 117.718 -3.114 . . . . 42.18 109.441 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.49 -40.38 94.37 Favored 'General case' 0 C--O 1.297 3.605 0 O-C-N 120.026 -1.671 . . . . 40.539999999999999 114.607 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.258 79.8 mt -79.56 -10.74 59.85 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 115.012 1.486 . . . . 15.48 115.012 -169.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.32 -42.15 15.59 Favored 'Isoleucine or valine' 0 C--O 1.271 2.194 0 N-CA-C 114.853 1.427 . . . . 20.82 114.853 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -67.8 -21.4 65.23 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 119.933 -1.729 . . . . 57.57 110.847 -174.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 mt -53.44 -37.84 62.98 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-N 114.616 -1.174 . . . . 31.739999999999998 112.356 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.26 2.78 24.87 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 113.099 0.777 . . . . 40.409999999999997 113.099 -171.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.663 0 CA-C-N 115.893 -0.594 . . . . 33.469999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 . . . . . . . . 30.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -65.69 -35.18 80.01 Favored 'General case' 0 C--O 1.292 3.294 0 O-C-N 119.975 -1.703 . . . . 34.93 111.595 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.593 ' HE1' HD12 ' D' ' 5' ' ' ILE . 91.3 mmm -71.8 -39.98 69.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 118.944 -2.348 . . . . 42.770000000000003 108.007 -177.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -37.59 81.55 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 121.539 1.972 . . . . 44.030000000000001 110.481 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -68.22 -41.56 81.09 Favored 'General case' 0 C--O 1.275 2.417 0 N-CA-C 105.592 -2.003 . . . . 58.409999999999997 105.592 -176.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -63.98 -43.64 97.69 Favored 'Isoleucine or valine' 0 C--O 1.297 3.563 0 O-C-N 120.105 -1.622 . . . . 22.289999999999999 108.405 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.665 ' OE1' ' O ' ' B' ' 122' ' ' HOH . 48.3 mt-10 -60.12 -39.44 86.27 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 118.565 -2.584 . . . . 50.530000000000001 111.595 178.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.38 -39.37 85.63 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 119.727 1.149 . . . . 41.130000000000003 109.643 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -65.47 -34.79 79.11 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-O 116.388 -1.768 . . . . 35.939999999999998 108.828 175.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.93 -37.27 78.79 Favored 'General case' 0 N--CA 1.41 -2.455 0 CA-C-N 124.848 3.476 . . . . 18.309999999999999 107.193 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -66.28 -38.32 87.51 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 122.153 2.251 . . . . 33.780000000000001 111.227 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.38 -41.94 96.42 Favored 'General case' 0 C--O 1.27 2.182 0 N-CA-C 107.939 -1.134 . . . . 50.350000000000001 107.939 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.06 -43.82 98.19 Favored 'Isoleucine or valine' 1 C--O 1.326 5.092 0 O-C-N 119.718 -1.864 . . . . 15.699999999999999 108.021 177.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.11 -30.23 69.34 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 123.498 2.863 . . . . 21.030000000000001 109.736 179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 72.1 m -68.12 -46.33 71.17 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 120.471 1.487 . . . . 25.719999999999999 110.543 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.63 -40.62 92.61 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.381 -2.074 . . . . 24.84 108.281 174.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.39 -36.08 81.94 Favored 'General case' 0 C--O 1.295 3.478 0 CA-C-N 123.727 2.967 . . . . 16.07 107.161 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.03 -44.7 75.88 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 123.027 2.649 . . . . 18.100000000000001 107.705 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -60.33 -44.17 95.74 Favored 'General case' 0 C--O 1.298 3.645 0 N-CA-C 106.739 -1.578 . . . . 24.41 106.739 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.8 mt -64.73 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--O 1.281 2.728 0 O-C-N 117.721 -3.112 . . . . 14.369999999999999 110.646 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . 0.619 ' OE1' ' OE1' ' D' ' 22' ' ' GLU 0.254 5.2 mm-40 -73.74 -38.63 64.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 O-C-N 117.239 -3.413 . . . . 24.0 113.134 176.705 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.34 -35.96 80.45 Favored 'General case' 0 C--N 1.264 -3.115 0 O-C-N 119.499 -2.0 . . . . 15.58 116.252 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 mt -84.42 -10.87 57.15 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 122.365 2.348 . . . . 20.57 114.174 -169.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mt -45.21 -45.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-N 121.033 1.742 . . . . 18.239999999999998 115.637 -179.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -66.19 -18.69 65.51 Favored 'General case' 0 N--CA 1.434 -1.272 0 O-C-N 120.123 -1.611 . . . . 56.939999999999998 108.564 -171.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.92 -31.23 71.68 Favored 'General case' 0 C--O 1.287 3.029 0 N-CA-C 112.168 0.433 . . . . 22.969999999999999 112.168 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.36 171.01 7.97 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.667 1.222 . . . . 30.190000000000001 109.132 -172.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.03 0 CA-C-N 114.332 -1.304 . . . . 33.909999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.278 2.579 . . . . . . . . 26.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -62.78 -34.99 78.41 Favored 'General case' 0 C--O 1.268 2.054 0 O-C-N 119.642 -1.911 . . . . 31.93 114.383 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.82 -40.45 83.82 Favored 'General case' 0 CA--C 1.479 -1.784 0 O-C-N 120.545 -1.347 . . . . 43.689999999999998 111.314 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LYS . . . . . 0.444 ' HA ' ' OE2' ' D' ' 6' ' ' GLU . 30.5 tttm -63.04 -37.21 86.27 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 118.966 0.803 . . . . 53.789999999999999 109.523 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 37.9 tp60 -64.32 -43.89 93.26 Favored 'General case' 0 C--O 1.286 3.021 0 N-CA-C 108.485 -0.931 . . . . 68.040000000000006 108.485 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ILE . . . . . 0.593 HD12 ' HE1' ' B' ' 2' ' ' MET . 91.1 mt -61.59 -45.02 99.53 Favored 'Isoleucine or valine' 0 C--O 1.286 2.996 0 CA-C-N 120.157 1.344 . . . . 33.710000000000001 108.724 176.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 6' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' D' ' 3' ' ' LYS . 44.8 mt-10 -58.12 -42.85 86.66 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 120.074 -1.641 . . . . 28.84 114.624 176.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.4 -41.98 93.08 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 123.232 0.613 . . . . 43.460000000000001 109.431 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -66.63 -36.21 82.03 Favored 'General case' 0 C--O 1.299 3.698 0 CA-C-O 117.678 -1.153 . . . . 28.109999999999999 108.426 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.67 -34.42 77.82 Favored 'General case' 0 C--O 1.276 2.493 0 CA-C-N 123.862 3.028 . . . . 21.010000000000002 109.198 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -66.58 -37.68 85.45 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 122.656 2.48 . . . . 42.600000000000001 110.428 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -67.45 -40.2 85.38 Favored 'General case' 0 C--O 1.274 2.382 0 O-C-N 121.098 -1.001 . . . . 40.920000000000002 109.971 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.29 -46.15 96.37 Favored 'Isoleucine or valine' 0 C--O 1.289 3.155 0 O-C-N 120.331 -1.481 . . . . 14.529999999999999 108.566 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.13 -39.94 91.94 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 122.843 2.565 . . . . 23.780000000000001 110.215 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 62.4 m -63.8 -43.02 97.56 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 120.047 1.294 . . . . 26.5 110.615 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.59 -37.79 85.65 Favored 'General case' 0 C--O 1.302 3.825 0 O-C-N 120.823 -1.173 . . . . 33.710000000000001 111.019 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.9 -35.64 77.09 Favored 'General case' 0 C--O 1.281 2.746 0 O-C-N 119.958 -1.714 . . . . 15.369999999999999 108.575 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -43.24 92.27 Favored 'General case' 0 C--O 1.27 2.139 0 CA-C-N 121.678 2.036 . . . . 40.119999999999997 108.995 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.08 -38.3 90.63 Favored 'General case' 0 C--O 1.282 2.814 0 O-C-N 119.565 -1.959 . . . . 36.0 109.685 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.09 -46.04 88.93 Favored 'Isoleucine or valine' 0 C--O 1.27 2.156 0 CA-C-N 121.422 1.919 . . . . 15.48 109.63 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -32.34 65.0 Favored 'General case' 0 C--O 1.273 2.33 0 O-C-N 117.877 -3.014 . . . . 28.469999999999999 109.736 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 22' ' ' GLU . . . . . 0.619 ' OE1' ' OE1' ' B' ' 20' ' ' GLU . 47.3 mt-10 -60.25 -34.34 73.58 Favored 'General case' 0 CA--C 1.457 -2.626 0 N-CA-C 115.721 1.749 . . . . 55.149999999999999 115.721 -179.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 33.5 mt -84.36 -7.3 59.35 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 116.588 -1.672 . . . . 18.390000000000001 112.734 -167.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mt -45.07 -43.47 2.8 Favored 'Isoleucine or valine' 0 C--O 1.285 2.939 0 N-CA-C 114.892 1.441 . . . . 21.649999999999999 114.892 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -69.19 -18.95 63.97 Favored 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 122.679 2.491 . . . . 37.5 108.323 -170.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.39 -33.65 76.46 Favored 'General case' 0 C--O 1.294 3.422 0 CA-C-O 116.703 -1.618 . . . . 25.239999999999998 112.535 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -115.88 3.23 13.7 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 122.287 2.312 . . . . 33.719999999999999 112.192 -168.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.733 -0.947 . . . . 36.939999999999998 110.733 170.633 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . 0.455 ' O ' ' CD ' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . 0.665 ' O ' ' OE1' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 . . . . . . . . 60.270000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ARG . . . . . 0.89 ' CD ' ' HG2' ' C' ' 4' ' ' GLN . . . -74.45 150.56 39.88 Favored 'General case' 0 C--O 1.259 1.572 0 O-C-N 120.624 -1.298 . . . . 37.420000000000002 107.542 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 89.5 mmm -63.81 -35.0 79.17 Favored 'General case' 0 N--CA 1.416 -2.127 0 O-C-N 119.215 -2.178 . . . . 58.149999999999999 110.7 -168.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -63.82 -44.94 91.74 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-N 121.207 1.822 . . . . 45.880000000000003 108.969 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLN . . . . . 0.89 ' HG2' ' CD ' ' C' ' 1' ' ' ARG . 26.9 mm100 -65.88 -39.28 90.54 Favored 'General case' 0 C--O 1.263 1.803 0 CA-C-N 118.335 0.516 . . . . 36.630000000000003 110.551 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.93 -46.93 95.08 Favored 'Isoleucine or valine' 0 C--O 1.285 2.967 0 O-C-N 121.267 -0.896 . . . . 18.75 110.435 174.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -69.23 -30.54 68.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 120.564 1.529 . . . . 37.399999999999999 111.434 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -67.62 -43.82 79.48 Favored 'General case' 0 C--O 1.257 1.464 0 CA-C-N 116.243 -0.435 . . . . 32.810000000000002 110.614 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.542 ' HE3' ' HB2' ' A' ' 10' ' ' GLU . 46.4 mttp -61.55 -44.45 97.02 Favored 'General case' 0 C--O 1.268 2.028 0 O-C-N 122.307 -0.245 . . . . 26.120000000000001 111.222 178.06 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 64.8 mt -59.67 -41.67 91.17 Favored 'General case' 0 C--O 1.268 2.048 0 O-C-N 118.728 -2.483 . . . . 14.6 110.818 174.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -65.54 -44.09 87.91 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-O 118.35 -0.833 . . . . 22.170000000000002 110.863 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.67 -39.53 91.7 Favored 'General case' 0 C--O 1.287 3.044 0 CA-C-N 118.525 0.602 . . . . 54.649999999999999 109.701 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 77.3 mt -63.7 -46.37 94.82 Favored 'Isoleucine or valine' 0 C--O 1.285 2.971 0 O-C-N 119.591 -1.943 . . . . 12.970000000000001 109.471 176.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 42.7 mt -61.11 -36.11 78.84 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 118.395 -2.69 . . . . 22.77 110.718 178.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -65.49 -47.06 77.35 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 122.093 -0.379 . . . . 20.52 110.107 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 mttm -64.69 -40.86 96.11 Favored 'General case' 0 C--O 1.292 3.318 0 N-CA-C 108.763 -0.828 . . . . 40.340000000000003 108.763 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.87 -37.28 86.24 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 117.297 -3.377 . . . . 15.800000000000001 109.265 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -65.73 -40.58 92.31 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 122.019 2.191 . . . . 72.019999999999996 110.479 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.21 -38.48 85.37 Favored 'General case' 0 CA--C 1.478 -1.794 0 O-C-N 120.197 -1.564 . . . . 31.940000000000001 109.983 178.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 57.7 mt -62.45 -47.56 92.45 Favored 'Isoleucine or valine' 0 C--O 1.293 3.374 0 CA-C-N 120.112 1.324 . . . . 15.09 109.049 176.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -64.48 -42.97 95.57 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 118.517 -2.615 . . . . 72.079999999999998 111.37 -177.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -65.82 -28.47 69.02 Favored 'General case' 0 C--O 1.287 3.05 0 O-C-N 120.148 -1.595 . . . . 18.550000000000001 113.975 -179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 mt -85.85 -7.22 58.86 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-N 123.805 3.002 . . . . 20.0 114.17 -171.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 31.8 mt -46.64 -43.34 6.04 Favored 'Isoleucine or valine' 0 C--O 1.269 2.127 0 N-CA-C 115.901 1.815 . . . . 19.199999999999999 115.901 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . . . -62.97 -18.33 63.11 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 121.085 1.766 . . . . 44.340000000000003 108.893 -175.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.17 -33.16 74.81 Favored 'General case' 0 C--O 1.252 1.196 0 O-C-N 120.351 -1.468 . . . . 24.739999999999998 112.339 179.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.47 -5.04 15.9 Favored 'General case' 0 C--O 1.259 1.57 0 C-N-CA 126.01 1.724 . . . . 41.880000000000003 110.289 -173.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.0 0 O-C-N 122.087 -0.383 . . . . 35.609999999999999 113.598 -179.677 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.901 . . . . . . . . 26.870000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.5 mmm-85 -64.34 -35.64 81.53 Favored 'General case' 0 CA--C 1.457 -2.628 0 O-C-N 119.391 -2.068 . . . . 83.0 112.83 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 97.9 mmm -70.68 -35.92 73.05 Favored 'General case' 0 C--N 1.309 -1.17 0 C-N-CA 119.346 -0.942 . . . . 29.600000000000001 110.924 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.3 tptp -72.84 -31.17 64.58 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.083 -1.821 . . . . 47.219999999999999 106.083 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -66.74 -41.12 88.35 Favored 'General case' 0 C--O 1.267 2.007 0 O-C-N 119.909 -1.745 . . . . 67.189999999999998 107.318 179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.32 -48.55 87.79 Favored 'Isoleucine or valine' 0 C--O 1.275 2.395 0 CA-C-N 121.14 1.791 . . . . 21.219999999999999 107.673 175.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.72 -39.37 93.82 Favored 'General case' 0 C--O 1.266 1.956 0 CA-C-N 121.736 2.062 . . . . 19.370000000000001 108.956 -176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -66.94 -41.37 87.09 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 119.086 0.857 . . . . 30.629999999999999 109.668 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -66.53 -37.21 84.53 Favored 'General case' 0 C--O 1.267 2.008 0 O-C-N 120.679 -1.263 . . . . 31.0 109.154 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.41 -34.68 77.75 Favored 'General case' 0 C--O 1.269 2.118 0 CA-C-N 121.936 2.153 . . . . 16.170000000000002 109.31 177.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.542 ' HB2' ' HE3' ' C' ' 8' ' ' LYS . 33.6 tp10 -65.83 -42.78 90.14 Favored 'General case' 0 C--O 1.296 3.503 0 CA-C-N 122.506 2.412 . . . . 25.210000000000001 108.977 173.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.53 -43.81 97.89 Favored 'General case' 0 C--O 1.25 1.118 0 O-C-N 117.996 -2.94 . . . . 32.109999999999999 109.421 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.0 -45.45 95.39 Favored 'Isoleucine or valine' 1 C--O 1.307 4.104 0 C-N-CA 124.489 1.116 . . . . 14.17 109.371 175.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.63 -37.39 84.74 Favored 'General case' 0 C--N 1.285 -2.213 0 O-C-N 117.149 -3.47 . . . . 23.48 110.717 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.3 m -69.45 -40.16 77.33 Favored 'General case' 0 C--O 1.291 3.279 0 O-C-N 121.393 -0.817 . . . . 27.0 111.18 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -65.81 -39.57 91.03 Favored 'General case' 0 C--O 1.293 3.348 0 O-C-N 120.824 -1.172 . . . . 41.350000000000001 109.464 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.8 mt -62.9 -37.99 89.14 Favored 'General case' 0 C--O 1.264 1.833 0 CA-C-N 122.136 2.244 . . . . 15.4 109.841 174.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -65.33 -39.22 92.15 Favored 'General case' 0 C--O 1.281 2.743 0 CA-C-N 122.131 2.241 . . . . 34.380000000000003 107.749 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -65.06 -38.97 92.54 Favored 'General case' 0 C--O 1.262 1.733 0 O-C-N 121.069 -1.019 . . . . 31.969999999999999 110.314 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.86 -47.05 92.46 Favored 'Isoleucine or valine' 0 C--O 1.287 3.06 0 C-N-CA 126.352 1.861 . . . . 16.34 109.664 175.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -64.33 -44.11 92.53 Favored 'General case' 0 C--N 1.279 -2.47 0 O-C-N 117.718 -3.114 . . . . 42.18 109.441 -176.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.49 -40.38 94.37 Favored 'General case' 0 C--O 1.297 3.605 0 O-C-N 120.026 -1.671 . . . . 40.539999999999999 114.607 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . 0.258 79.8 mt -79.56 -10.74 59.85 Favored 'General case' 0 CA--C 1.489 -1.385 0 N-CA-C 115.012 1.486 . . . . 15.48 115.012 -169.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.32 -42.15 15.59 Favored 'Isoleucine or valine' 0 C--O 1.271 2.194 0 N-CA-C 114.853 1.427 . . . . 20.82 114.853 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -67.8 -21.4 65.23 Favored 'General case' 0 C--N 1.314 -0.966 0 O-C-N 119.933 -1.729 . . . . 57.57 110.847 -174.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.0 mt -53.44 -37.84 62.98 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-N 114.616 -1.174 . . . . 31.739999999999998 112.356 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.9 mt -107.26 2.78 24.87 Favored 'General case' 0 C--O 1.255 1.376 0 N-CA-C 113.099 0.777 . . . . 40.409999999999997 113.099 -171.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.663 0 CA-C-N 115.893 -0.594 . . . . 33.469999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.449 . . . . . . . . 30.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 40.7 mmm-85 -65.69 -35.18 80.01 Favored 'General case' 0 C--O 1.292 3.294 0 O-C-N 119.975 -1.703 . . . . 34.93 111.595 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.593 ' HE1' HD12 ' D' ' 5' ' ' ILE . 91.3 mmm -71.8 -39.98 69.5 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 118.944 -2.348 . . . . 42.770000000000003 108.007 -177.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -60.48 -37.59 81.55 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 121.539 1.972 . . . . 44.030000000000001 110.481 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -68.22 -41.56 81.09 Favored 'General case' 0 C--O 1.275 2.417 0 N-CA-C 105.592 -2.003 . . . . 58.409999999999997 105.592 -176.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 58.7 mt -63.98 -43.64 97.69 Favored 'Isoleucine or valine' 0 C--O 1.297 3.563 0 O-C-N 120.105 -1.622 . . . . 22.289999999999999 108.405 177.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.665 ' OE1' ' O ' ' B' ' 122' ' ' HOH . 48.3 mt-10 -60.12 -39.44 86.27 Favored 'General case' 0 C--N 1.31 -1.15 0 O-C-N 118.565 -2.584 . . . . 50.530000000000001 111.595 178.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -67.38 -39.37 85.63 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 119.727 1.149 . . . . 41.130000000000003 109.643 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.6 mmtt -65.47 -34.79 79.11 Favored 'General case' 0 C--O 1.278 2.603 0 CA-C-O 116.388 -1.768 . . . . 35.939999999999998 108.828 175.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.93 -37.27 78.79 Favored 'General case' 0 N--CA 1.41 -2.455 0 CA-C-N 124.848 3.476 . . . . 18.309999999999999 107.193 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -66.28 -38.32 87.51 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-N 122.153 2.251 . . . . 33.780000000000001 111.227 175.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.38 -41.94 96.42 Favored 'General case' 0 C--O 1.27 2.182 0 N-CA-C 107.939 -1.134 . . . . 50.350000000000001 107.939 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -62.06 -43.82 98.19 Favored 'Isoleucine or valine' 1 C--O 1.326 5.092 0 O-C-N 119.718 -1.864 . . . . 15.699999999999999 108.021 177.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 20.7 mt -68.11 -30.23 69.34 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 123.498 2.863 . . . . 21.030000000000001 109.736 179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 72.1 m -68.12 -46.33 71.17 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 120.471 1.487 . . . . 25.719999999999999 110.543 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -60.63 -40.62 92.61 Favored 'General case' 0 C--N 1.292 -1.892 0 O-C-N 119.381 -2.074 . . . . 24.84 108.281 174.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 62.3 mt -66.39 -36.08 81.94 Favored 'General case' 0 C--O 1.295 3.478 0 CA-C-N 123.727 2.967 . . . . 16.07 107.161 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -68.03 -44.7 75.88 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 123.027 2.649 . . . . 18.100000000000001 107.705 177.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -60.33 -44.17 95.74 Favored 'General case' 0 C--O 1.298 3.645 0 N-CA-C 106.739 -1.578 . . . . 24.41 106.739 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 54.8 mt -64.73 -41.73 93.03 Favored 'Isoleucine or valine' 0 C--O 1.281 2.728 0 O-C-N 117.721 -3.112 . . . . 14.369999999999999 110.646 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.619 ' OE1' ' OE1' ' D' ' 22' ' ' GLU 0.254 5.2 mm-40 -73.74 -38.63 64.69 Favored 'General case' 0 N--CA 1.411 -2.402 0 O-C-N 117.239 -3.413 . . . . 24.0 113.134 176.705 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -67.34 -35.96 80.45 Favored 'General case' 0 C--N 1.264 -3.115 0 O-C-N 119.499 -2.0 . . . . 15.58 116.252 -179.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 39.2 mt -84.42 -10.87 57.15 Favored 'General case' 0 C--N 1.285 -2.236 0 CA-C-N 122.365 2.348 . . . . 20.57 114.174 -169.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 18.8 mt -45.21 -45.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.822 0 CA-C-N 121.033 1.742 . . . . 18.239999999999998 115.637 -179.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -66.19 -18.69 65.51 Favored 'General case' 0 N--CA 1.434 -1.272 0 O-C-N 120.123 -1.611 . . . . 56.939999999999998 108.564 -171.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.92 -31.23 71.68 Favored 'General case' 0 C--O 1.287 3.029 0 N-CA-C 112.168 0.433 . . . . 22.969999999999999 112.168 179.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 76.5 mt -115.36 171.01 7.97 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.667 1.222 . . . . 30.190000000000001 109.132 -172.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.03 0 CA-C-N 114.332 -1.304 . . . . 33.909999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.278 2.579 . . . . . . . . 26.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ARG . . . . . . . . . . . . . 42.5 mmm-85 -62.78 -34.99 78.41 Favored 'General case' 0 C--O 1.268 2.054 0 O-C-N 119.642 -1.911 . . . . 31.93 114.383 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' MET . . . . . . . . . . . . . 23.2 mmt -67.82 -40.45 83.82 Favored 'General case' 0 CA--C 1.479 -1.784 0 O-C-N 120.545 -1.347 . . . . 43.689999999999998 111.314 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LYS . . . . . 0.444 ' HA ' ' OE2' ' D' ' 6' ' ' GLU . 30.5 tttm -63.04 -37.21 86.27 Favored 'General case' 0 C--O 1.254 1.325 0 CA-C-N 118.966 0.803 . . . . 53.789999999999999 109.523 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' D' ' 4' ' ' GLN . 3.9 tp-100 -64.32 -43.89 93.26 Favored 'General case' 0 C--O 1.286 3.021 0 N-CA-C 108.485 -0.931 . . . . 68.040000000000006 108.485 -178.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.593 HD12 ' HE1' ' B' ' 2' ' ' MET . 91.1 mt -61.59 -45.02 99.53 Favored 'Isoleucine or valine' 0 C--O 1.286 2.996 0 CA-C-N 120.157 1.344 . . . . 33.710000000000001 108.724 176.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' D' ' 3' ' ' LYS . 44.8 mt-10 -58.12 -42.85 86.66 Favored 'General case' 0 C--N 1.308 -1.196 0 O-C-N 120.074 -1.641 . . . . 28.84 114.624 176.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -65.4 -41.98 93.08 Favored 'General case' 0 C--N 1.301 -1.538 0 C-N-CA 123.232 0.613 . . . . 43.460000000000001 109.431 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -66.63 -36.21 82.03 Favored 'General case' 0 C--O 1.299 3.698 0 CA-C-O 117.678 -1.153 . . . . 28.109999999999999 108.426 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 96.7 mt -66.67 -34.42 77.82 Favored 'General case' 0 C--O 1.276 2.493 0 CA-C-N 123.862 3.028 . . . . 21.010000000000002 109.198 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -66.58 -37.68 85.45 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-N 122.656 2.48 . . . . 42.600000000000001 110.428 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -67.45 -40.2 85.38 Favored 'General case' 0 C--O 1.274 2.382 0 O-C-N 121.098 -1.001 . . . . 40.920000000000002 109.971 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 67.0 mt -63.29 -46.15 96.37 Favored 'Isoleucine or valine' 0 C--O 1.289 3.155 0 O-C-N 120.331 -1.481 . . . . 14.529999999999999 108.566 175.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 mt -61.13 -39.94 91.94 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-N 122.843 2.565 . . . . 23.780000000000001 110.215 177.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' SER . . . . . . . . . . . . . 62.4 m -63.8 -43.02 97.56 Favored 'General case' 0 C--O 1.263 1.77 0 CA-C-N 120.047 1.294 . . . . 26.5 110.615 -179.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -66.59 -37.79 85.65 Favored 'General case' 0 C--O 1.302 3.825 0 O-C-N 120.823 -1.173 . . . . 33.710000000000001 111.019 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.9 -35.64 77.09 Favored 'General case' 0 C--O 1.281 2.746 0 O-C-N 119.958 -1.714 . . . . 15.369999999999999 108.575 177.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -65.19 -43.24 92.27 Favored 'General case' 0 C--O 1.27 2.139 0 CA-C-N 121.678 2.036 . . . . 40.119999999999997 108.995 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -63.08 -38.3 90.63 Favored 'General case' 0 C--O 1.282 2.814 0 O-C-N 119.565 -1.959 . . . . 36.0 109.685 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 70.5 mt -66.09 -46.04 88.93 Favored 'Isoleucine or valine' 0 C--O 1.27 2.156 0 CA-C-N 121.422 1.919 . . . . 15.48 109.63 177.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -73.05 -32.34 65.0 Favored 'General case' 0 C--O 1.273 2.33 0 O-C-N 117.877 -3.014 . . . . 28.469999999999999 109.736 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' GLU . . . . . 0.619 ' OE1' ' OE1' ' B' ' 20' ' ' GLU . 47.3 mt-10 -60.25 -34.34 73.58 Favored 'General case' 0 CA--C 1.457 -2.626 0 N-CA-C 115.721 1.749 . . . . 55.149999999999999 115.721 -179.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 33.5 mt -84.36 -7.3 59.35 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 116.588 -1.672 . . . . 18.390000000000001 112.734 -167.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' GM8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 29.4 mt -45.07 -43.47 2.8 Favored 'Isoleucine or valine' 0 C--O 1.285 2.939 0 N-CA-C 114.892 1.441 . . . . 21.649999999999999 114.892 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -69.19 -18.95 63.97 Favored 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 122.679 2.491 . . . . 37.5 108.323 -170.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' XPC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.39 -33.65 76.46 Favored 'General case' 0 C--O 1.294 3.422 0 CA-C-O 116.703 -1.618 . . . . 25.239999999999998 112.535 -179.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 47.4 mt -115.88 3.23 13.7 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-N 122.287 2.312 . . . . 33.719999999999999 112.192 -168.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.733 -0.947 . . . . 36.939999999999998 110.733 170.633 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . 0.455 ' O ' ' CD ' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . 0.665 ' O ' ' OE1' ' B' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_