data_6j52_residue ############################ # Computer software used # ############################ 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 6j52 _Structure_validation_residue.Date_analyzed 2019-02-15 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 mtt . . . . . 0 C--O 1.235 0.318 0 CA-C-O 122.801 1.286 . . . . 54.6 112.208 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -143.91 155.73 44.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.143 -2.169 . . . . 56.42 105.143 166.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -90.21 100.12 13.01 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.016 -1.476 . . . . 48.63 107.016 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -161.16 105.93 1.34 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.033 -1.469 . . . . 36.55 107.033 -166.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . 0.579 ' N ' ' OE2' ' A' ' 8' ' ' GLU . . . -98.4 -169.57 31.67 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-O 122.672 1.151 . . . . 30.91 113.892 -168.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.27 -36.0 74.14 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.417 -0.892 . . . . 24.78 111.627 -176.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -57.61 -44.69 85.66 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.922 -0.711 . . . . 47.66 110.356 171.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . 0.579 ' OE2' ' N ' ' A' ' 5' ' ' GLY . 6.4 mt-10 -72.64 -29.49 63.51 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.539 -0.865 . . . . 64.37 111.825 -178.675 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.7 tpp -72.53 -36.46 68.31 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 120.163 -0.615 . . . . 28.16 111.386 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.5 mtt85 -60.38 -42.94 96.89 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.673 -0.811 . . . . 57.61 111.597 172.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -66.25 -21.57 66.29 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 118.963 -1.095 . . . . 54.07 112.87 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.71 5.99 62.41 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 118.95 0.795 . . . . 25.69 114.99 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -64.86 -51.59 61.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 117.991 0.896 . . . . 26.08 111.508 -169.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.88 -43.66 86.2 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.642 -0.423 . . . . 31.44 111.378 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.39 93.47 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.034 -0.667 . . . . 24.91 111.016 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -65.85 -42.78 90.03 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 119.013 -1.075 . . . . 19.49 111.464 -178.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.29 -40.3 84.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.982 0.42 . . . . 28.53 110.696 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -69.67 -43.87 71.64 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 121.93 -0.481 . . . . 71.69 112.061 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.83 -18.02 14.82 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 114.707 1.373 . . . . 32.08 114.707 -160.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 p -70.91 136.54 48.63 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 119.456 1.026 . . . . 28.06 110.883 -174.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -85.38 160.01 19.87 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.874 0.845 . . . . 50.48 110.365 175.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.88 -40.94 97.72 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.239 -0.891 . . . . 37.69 111.477 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.5 -37.76 82.16 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.744 -0.382 . . . . 84.61 111.264 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.7 m -65.21 -36.09 83.1 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.741 -0.783 . . . . 49.15 111.147 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.99 -41.86 81.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.959 -0.696 . . . . 23.89 110.999 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.39 -40.76 93.87 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.457 -0.497 . . . . 40.9 111.125 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -66.01 -42.46 89.68 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 118.896 -1.122 . . . . 41.44 111.281 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.044 -0.662 . . . . 24.94 111.334 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -44.07 95.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 120.86 0.362 . . . . 26.31 110.629 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -59.07 -41.95 89.2 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.489 -0.485 . . . . 54.53 111.31 174.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -64.9 -35.58 81.6 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.947 0.351 . . . . 53.75 111.947 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.1 mmt -75.71 -24.89 56.26 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.523 -0.471 . . . . 24.91 111.89 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -68.86 -41.85 77.85 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.603 -0.839 . . . . 34.84 110.909 168.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.75 -33.18 75.06 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.368 -0.933 . . . . 40.61 111.804 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -80.41 -2.01 43.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 113.247 0.832 . . . . 59.96 113.247 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 66.82 22.06 10.33 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.625 0.77 . . . . 66.41 112.797 -174.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.89 -41.19 46.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 121.67 -0.643 . . . . 27.63 109.816 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -107.92 145.25 34.04 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.532 0.733 . . . . 33.11 109.405 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -92.01 170.93 9.45 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.444 -0.947 . . . . 35.98 108.444 160.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -63.34 -36.26 83.11 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.789 -0.764 . . . . 53.02 111.252 -171.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.08 -43.23 95.27 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.702 -0.761 . . . . 36.69 113.263 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.05 -47.57 70.94 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.005 -0.703 . . . . 43.65 111.359 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.6 88.29 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.176 -0.328 . . . . 24.16 111.283 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.76 88.32 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.74 -0.784 . . . . 28.24 110.756 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -47.1 86.84 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 111.971 0.36 . . . . 68.37 111.971 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.53 -39.67 83.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 120.222 -0.591 . . . . 33.27 110.532 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.49 -29.67 61.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.513 0.561 . . . . 44.06 112.513 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -72.46 128.62 36.17 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.965 -0.694 . . . . 61.07 109.811 -175.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 p -147.19 50.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.38 -0.97 . . . . 49.38 108.38 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -64.88 -34.26 77.98 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.728 -0.669 . . . . 37.1 112.021 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.08 -43.62 98.03 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.434 -0.906 . . . . 73.59 111.597 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.41 -38.79 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 119.328 -0.949 . . . . 36.41 110.445 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -53.96 -56.17 20.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.259 0.552 . . . . 19.26 111.155 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.59 -33.88 70.48 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.382 -0.372 . . . . 20.01 111.328 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NH1' ' A' ' 58' ' ' ARG . 24.8 m-20 -71.11 -34.04 70.72 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 119.459 -0.897 . . . . 56.83 111.869 178.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -41.67 90.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.829 0.347 . . . . 19.05 110.625 169.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.81 93.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.907 -0.496 . . . . 19.68 111.205 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' NH1' ' OD2' ' A' ' 55' ' ' ASP . 78.9 mtt85 -58.5 -49.52 77.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.991 0.424 . . . . 22.28 110.929 177.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.33 94.97 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.478 -0.489 . . . . 23.46 111.104 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.31 -52.31 42.05 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.837 -0.345 . . . . 19.72 111.433 -176.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 tt -70.65 -30.47 42.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 120.365 -0.534 . . . . 24.62 110.694 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.84 -34.6 69.42 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 118.79 -1.164 . . . . 35.12 111.314 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -68.58 -36.25 78.48 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.594 -0.842 . . . . 34.59 111.441 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -65.69 -51.57 60.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.114 0.483 . . . . 26.58 110.392 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.4 m -59.52 -35.76 74.8 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 121.919 -0.488 . . . . 29.74 111.902 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.83 -24.71 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.416 0.524 . . . . 42.47 112.416 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.6 -8.42 59.6 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.202 0.815 . . . . 30.07 113.202 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.85 -163.98 18.53 Favored Glycine 0 CA--C 1.516 0.151 0 CA-C-O 122.592 1.107 . . . . 29.5 114.003 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.37 -38.48 63.16 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.574 -0.813 . . . . 43.14 112.593 -163.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.42 -41.13 85.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.973 -0.691 . . . . 27.28 110.858 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.5 82.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.52 -0.872 . . . . 24.32 110.516 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.0 m -56.17 -34.18 65.96 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.551 -0.46 . . . . 32.2 111.353 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.2 m -74.5 -37.79 63.03 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 118.227 -1.389 . . . . 29.84 110.84 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.4 -49.22 74.65 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.539 -0.864 . . . . 26.82 110.43 173.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -50.05 -45.19 51.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 33.07 112.225 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.76 78.32 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.451 -0.9 . . . . 32.14 111.523 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.23 -39.4 95.92 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.011 -1.09 . . . . 38.01 112.523 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.87 75.31 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.656 -0.818 . . . . 31.17 111.576 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.03 -47.75 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 119.794 -0.762 . . . . 35.11 110.401 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.6 -41.7 73.8 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.365 -0.534 . . . . 51.26 111.541 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.6 mtm105 -71.57 -17.25 62.31 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 113.029 0.751 . . . . 64.1 113.029 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -99.1 -40.5 7.98 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 113.843 1.053 . . . . 44.22 113.843 -176.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -149.92 110.52 4.25 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.275 -1.38 . . . . 50.51 107.275 -177.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -71.04 -33.83 53.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.809 -0.756 . . . . 32.95 110.979 -175.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.48 -45.42 68.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 119.513 -0.875 . . . . 38.33 110.186 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -59.82 -41.76 91.98 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.896 -0.321 . . . . 40.31 111.103 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.78 82.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.029 -0.668 . . . . 35.98 110.821 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.51 -38.48 87.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.634 0.254 . . . . 70.13 111.536 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.46 67.87 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.438 0.533 . . . . 30.74 112.438 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 84.2 mtp -95.83 -8.64 33.65 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 113.439 0.903 . . . . 37.83 113.439 -175.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.09 12.65 56.15 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 115.003 0.761 . . . . 34.07 115.003 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 70.2 mt -89.29 139.66 17.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 118.186 0.993 . . . . 42.99 108.738 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 m -71.18 147.58 48.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 78.51 110.608 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.068 -0.653 . . . . 89.29 111.349 -176.718 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 69.74 111.377 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.81 159.5 16.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.45 1.5 . . . . 60.05 109.604 171.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -112.46 91.16 3.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 104.946 -2.242 . . . . 38.95 104.946 167.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -138.3 90.28 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.974 -1.861 . . . . 36.54 105.974 -174.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.51 -171.51 45.18 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-O 122.08 0.822 . . . . 20.7 113.487 -171.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.86 99.47 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 114.78 -0.71 . . . . 31.94 111.969 -169.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -53.83 -57.38 11.13 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.89 0.376 . . . . 76.67 111.294 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.75 -40.97 80.95 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.872 -0.731 . . . . 70.71 111.08 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 59.0 tpp -60.22 -39.34 86.28 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.715 -0.394 . . . . 30.32 111.101 -178.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -68.18 -32.01 71.94 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.821 -0.752 . . . . 50.11 111.825 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -71.02 -25.06 62.5 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.118 -1.033 . . . . 56.04 112.693 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.51 3.0 74.7 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 118.269 0.486 . . . . 26.0 113.587 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -55.71 -50.83 69.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 117.639 0.72 . . . . 31.95 111.966 -173.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.74 -36.76 85.33 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.495 -0.882 . . . . 32.38 111.373 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.13 93.39 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 119.421 -0.912 . . . . 25.77 110.928 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.62 -38.69 80.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.488 -0.485 . . . . 26.83 111.11 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.59 -45.24 89.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.064 0.459 . . . . 29.42 110.813 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -73.95 -39.2 63.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.713 -0.617 . . . . 66.96 112.398 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.36 -13.81 18.63 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.861 1.43 . . . . 30.19 114.861 -163.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p -73.12 133.35 44.09 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.511 1.05 . . . . 26.69 111.852 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -76.16 155.74 34.32 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.942 -0.572 . . . . 57.12 110.13 170.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.76 -36.33 83.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.693 -0.685 . . . . 31.53 111.115 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -67.91 -37.43 81.7 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 122.2 -0.313 . . . . 74.31 110.871 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 m -56.6 -51.52 68.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.902 0.382 . . . . 30.58 110.903 171.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.76 -44.83 82.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.628 -0.26 . . . . 25.08 111.549 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -67.29 -38.08 84.44 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.905 -0.718 . . . . 50.87 111.413 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.53 -45.27 94.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.907 0.384 . . . . 32.0 111.602 174.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.07 -38.9 93.02 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 120.072 -0.651 . . . . 35.64 110.712 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.17 -44.38 98.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 119.939 -0.704 . . . . 27.15 109.931 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.89 -42.41 97.47 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.519 -0.873 . . . . 57.28 111.129 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.02 -46.46 90.63 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.779 -0.769 . . . . 53.82 111.186 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 24.4 mmt -65.55 -26.78 68.03 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.677 -0.809 . . . . 30.82 111.9 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.5 -40.89 80.71 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.08 -0.648 . . . . 35.97 110.236 170.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.74 84.66 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.528 -0.306 . . . . 36.37 111.356 -178.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -83.91 7.62 17.61 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 113.371 0.878 . . . . 62.18 113.371 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 58.39 21.91 8.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.386 1.074 . . . . 70.73 112.594 -175.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.7 -41.33 70.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 O-C-N 121.588 -0.695 . . . . 28.89 110.007 171.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -107.23 148.44 28.92 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.488 1.115 . . . . 34.03 109.912 173.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -92.96 167.01 12.1 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.941 0.896 . . . . 34.43 108.977 159.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -59.41 -31.48 69.3 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 119.157 -1.017 . . . . 54.03 112.363 -174.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.15 -38.94 96.65 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.162 -1.018 . . . . 34.93 113.161 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.7 -42.5 70.55 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.567 -0.853 . . . . 50.94 111.318 -178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.2 68.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.444 -0.502 . . . . 39.33 111.794 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.88 -32.88 21.43 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 121.985 -0.447 . . . . 47.33 111.807 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.18 -52.15 62.09 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.543 -0.463 . . . . 89.23 110.738 173.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.4 -46.31 58.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.218 0.532 . . . . 44.33 111.005 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.51 -40.31 17.8 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 121.697 -0.627 . . . . 65.62 112.641 -169.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.77 -24.4 60.94 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.974 -0.691 . . . . 84.53 112.411 -174.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -74.23 -14.78 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.01 0.745 . . . . 60.86 113.01 173.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -138.39 70.2 1.38 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.619 1.2 . . . . 44.63 109.659 -167.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -87.69 102.58 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.097 -1.627 . . . . 63.61 108.372 -176.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.12 -37.72 79.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 32.73 110.584 174.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -61.05 -49.2 78.32 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.846 -0.534 . . . . 29.9 110.866 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.73 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.258 -0.577 . . . . 21.61 111.464 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.44 -46.07 88.0 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.809 0.338 . . . . 55.53 111.07 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.19 -39.02 83.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 120.988 -0.285 . . . . 20.62 110.887 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.41 93.27 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 121.838 -0.539 . . . . 20.23 111.445 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -66.7 -43.57 83.99 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 120.833 -0.347 . . . . 43.57 110.871 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.14 83.1 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.498 -0.481 . . . . 18.5 110.797 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.12 -53.62 23.99 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.57 0.224 . . . . 20.66 111.164 -177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 tt -71.03 -26.12 26.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.014 -1.075 . . . . 25.67 110.743 -173.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -76.41 -34.31 58.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.528 -0.869 . . . . 33.29 111.628 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 24.1 m -61.3 -44.58 96.98 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 119.335 -0.946 . . . . 32.28 111.354 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.03 -51.81 61.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 120.775 0.321 . . . . 20.43 110.759 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 51.0 m -53.55 -42.81 67.88 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.741 -0.383 . . . . 31.3 110.959 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -65.31 -27.15 68.41 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.899 0.703 . . . . 38.96 112.899 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -77.11 -4.15 42.96 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 114.146 1.165 . . . . 25.57 114.146 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 -168.19 31.18 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-O 123.126 1.403 . . . . 22.92 115.439 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -74.39 -40.89 61.76 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 113.899 -1.15 . . . . 32.66 113.216 -158.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.83 -55.09 26.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.404 0.621 . . . . 28.73 109.927 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.71 71.96 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.789 -0.569 . . . . 29.58 111.122 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' CYS . . . . . . . . . . . . . 23.9 m -59.66 -39.74 85.44 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.844 -0.743 . . . . 26.76 110.931 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.4 m -68.02 -42.06 81.25 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.012 -0.43 . . . . 35.86 111.709 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.36 -47.58 84.87 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.013 0.435 . . . . 36.14 110.356 173.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.43 -47.12 79.74 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.284 -0.416 . . . . 33.79 111.454 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.76 87.99 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.857 -0.737 . . . . 24.57 111.071 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.48 93.65 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 119.617 -1.278 . . . . 38.7 112.286 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.36 72.57 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.268 -0.548 . . . . 27.86 112.245 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.77 -51.66 70.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.818 -0.753 . . . . 22.65 110.353 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.24 56.97 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 111.925 0.343 . . . . 39.38 111.925 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.39 -18.52 57.23 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.342 0.497 . . . . 52.31 112.342 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -92.15 -51.22 5.28 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.249 0.463 . . . . 50.74 112.249 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -143.96 112.48 6.5 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.168 -1.049 . . . . 57.28 108.168 -167.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.0 -30.5 41.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 123.323 0.389 . . . . 33.71 111.568 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.0 t -71.16 -43.82 74.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 121.408 0.623 . . . . 32.95 110.625 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 17.5 tp -60.28 -43.05 96.57 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 119.854 -0.738 . . . . 36.74 110.643 173.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.83 87.53 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.902 -0.719 . . . . 27.92 110.829 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.64 -42.1 98.42 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.795 0.331 . . . . 48.02 111.666 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.42 70.2 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.527 -0.869 . . . . 26.33 111.732 -175.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 74.6 mtp -90.94 -0.83 57.83 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.659 0.985 . . . . 34.62 113.659 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.9 11.9 64.7 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 115.746 1.058 . . . . 31.62 115.746 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 30.5 mt -90.21 134.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 118.48 1.14 . . . . 50.68 108.171 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.0 p -96.61 140.32 31.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.44 . . . . 73.89 110.96 -176.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 79.56 111.169 177.731 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.348 0.594 . . . . 39.87 109.996 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -127.25 150.41 49.56 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.165 -1.05 . . . . 71.64 108.165 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -78.97 101.19 7.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.388 -1.338 . . . . 38.61 107.388 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -171.99 96.47 0.16 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 31.83 108.13 -167.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.98 -159.51 34.26 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.988 0.771 . . . . 31.21 114.412 -174.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -34.6 71.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.218 0.822 . . . . 32.19 113.218 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -67.08 -40.41 86.99 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.107 -1.037 . . . . 77.19 111.379 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -72.42 -27.58 62.43 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.159 -0.616 . . . . 63.27 111.584 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 51.0 tpp -73.22 -31.49 64.18 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 122.23 -0.293 . . . . 32.49 111.316 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -68.94 -41.22 78.38 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.546 0.212 . . . . 65.32 111.322 174.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.44 -39.35 79.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.142 -0.623 . . . . 70.05 111.585 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.15 7.07 82.6 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 115.468 0.947 . . . . 27.39 115.468 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -57.41 -50.31 73.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 117.827 0.814 . . . . 42.08 111.6 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.39 -40.39 90.72 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.207 -0.597 . . . . 32.88 111.714 -175.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.53 72.44 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 119.567 -0.853 . . . . 22.73 111.489 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.29 -41.0 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 118.556 -1.258 . . . . 24.79 110.686 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.63 -41.39 80.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.834 0.35 . . . . 23.95 110.672 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -65.68 -45.93 81.0 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.036 -0.415 . . . . 65.37 111.839 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.81 -12.65 16.8 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 114.612 1.338 . . . . 26.65 114.612 -161.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -70.85 138.48 50.3 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.399 0.999 . . . . 27.2 110.853 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.12 151.73 22.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.792 -0.64 . . . . 57.92 109.691 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 56.2 tp -59.1 -45.57 90.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.468 -0.787 . . . . 30.24 111.485 -175.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' GLU . . . . . 0.587 ' N ' ' OE1' ' C' ' 23' ' ' GLU . 5.3 pm0 -61.64 -39.27 90.73 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.19 -0.604 . . . . 68.93 111.404 -179.349 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -62.66 -42.24 99.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 122.025 -0.422 . . . . 31.03 111.189 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.58 -47.86 80.94 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.43 -0.35 . . . . 25.23 111.508 175.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -64.55 -36.48 84.35 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.809 -0.757 . . . . 42.07 111.421 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.4 -44.42 87.53 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.163 -0.615 . . . . 31.18 111.92 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.28 -40.18 95.38 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 122.183 -0.323 . . . . 25.91 111.472 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.5 -47.05 94.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.79 -0.764 . . . . 32.02 109.959 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.15 -45.98 89.57 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.613 -0.267 . . . . 56.91 111.455 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -64.32 -38.16 90.07 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 112.162 0.43 . . . . 45.67 112.162 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 31.3 mmt -69.13 -27.31 65.45 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.671 -0.811 . . . . 31.01 111.053 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 64.7 tp -76.97 -47.75 19.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.561 -0.456 . . . . 31.87 110.596 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.01 74.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.773 0.286 . . . . 38.21 111.773 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -82.04 7.05 14.29 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.874 0.694 . . . . 71.69 112.874 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 54.22 29.4 10.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.077 0.951 . . . . 34.67 112.558 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' VAL . . . . . 0.661 ' O ' ' NZ ' ' D' ' 67' ' ' LYS . 98.0 t -70.17 -42.15 79.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.87 -0.332 . . . . 32.7 110.244 161.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -97.25 153.3 18.11 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.603 0.761 . . . . 38.73 110.691 169.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -95.22 179.38 5.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.704 -0.85 . . . . 28.0 108.704 163.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -63.08 -38.7 92.22 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.017 -0.538 . . . . 50.27 111.788 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.08 68.2 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.539 -0.839 . . . . 30.34 112.96 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.08 -41.99 97.11 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.951 -0.735 . . . . 55.83 111.749 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.99 90.03 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.914 -0.715 . . . . 33.47 110.466 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.6 82.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 122.342 -0.224 . . . . 41.69 111.569 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -58.9 -46.64 87.4 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.555 -0.458 . . . . 84.86 111.131 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.65 -35.19 65.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 122.624 0.369 . . . . 43.63 111.562 -176.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.86 -36.32 11.16 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 114.099 1.148 . . . . 57.2 114.099 -173.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.6 -28.4 65.91 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.119 -0.632 . . . . 80.08 111.549 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 15.7 m -73.09 -16.43 61.47 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.866 0.691 . . . . 53.65 112.866 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -134.24 79.06 1.79 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.836 0.743 . . . . 50.76 109.219 -172.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -90.02 108.46 19.74 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.665 -0.865 . . . . 55.55 108.665 -177.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -74.7 -34.07 33.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.622 -0.717 . . . . 57.99 110.624 178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -60.24 -43.15 96.33 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.772 -0.58 . . . . 25.36 110.765 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.52 85.27 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.368 -0.533 . . . . 22.91 111.495 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -60.83 -44.14 97.33 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.054 -0.659 . . . . 53.65 111.328 177.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.66 -45.89 96.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.065 0.46 . . . . 26.99 110.584 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.57 73.52 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.615 -0.266 . . . . 25.0 111.548 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -62.77 -45.93 90.39 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.876 0.369 . . . . 32.01 111.036 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.7 94.47 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.166 -0.614 . . . . 25.58 110.471 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 tp -66.35 -49.81 65.67 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.787 -0.365 . . . . 24.38 110.894 -176.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 tt -72.36 -35.14 51.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.012 -1.075 . . . . 24.95 110.891 -173.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.21 -29.68 67.69 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.833 -1.147 . . . . 40.99 112.085 177.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -69.17 -38.58 78.79 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.744 -1.182 . . . . 37.29 110.948 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.99 -47.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.187 0.518 . . . . 26.38 110.468 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 99.4 m -57.37 -39.6 76.35 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.41 -0.359 . . . . 25.12 111.706 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -67.55 -22.35 65.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 118.865 -1.134 . . . . 47.09 111.792 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.35 -8.67 59.63 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.935 1.087 . . . . 39.06 113.935 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.49 -176.33 27.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 123.001 1.334 . . . . 25.72 113.976 171.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.53 -42.72 99.23 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 113.329 -1.436 . . . . 44.16 112.266 -164.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.71 -45.64 96.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.189 0.519 . . . . 28.63 110.334 -176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.46 87.19 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.479 -0.328 . . . . 25.79 111.12 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.16 -31.71 72.93 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.067 -0.653 . . . . 23.93 111.425 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' SER . . . . . . . . . . . . . 62.0 m -72.42 -40.88 66.8 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.217 -0.993 . . . . 21.11 111.517 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.72 -50.78 72.65 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.068 0.461 . . . . 41.61 111.041 171.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.46 -46.07 84.07 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.327 -0.397 . . . . 28.78 111.208 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.07 78.98 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.002 0.371 . . . . 18.55 112.002 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.77 84.51 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 119.57 -1.3 . . . . 28.34 112.32 172.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.44 -35.95 82.14 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.272 -0.546 . . . . 29.46 112.045 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.81 -47.62 91.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 119.555 -0.858 . . . . 22.9 110.275 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.58 80.06 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.555 -0.293 . . . . 32.97 111.507 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -68.73 -23.79 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 119.06 -0.495 . . . . 53.86 112.303 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -94.89 -44.54 7.68 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.726 1.01 . . . . 55.81 113.726 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -147.72 110.08 4.61 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.823 0.738 . . . . 59.36 109.319 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.46 -34.38 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 O-C-N 123.245 0.341 . . . . 39.67 111.751 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.61 -47.79 84.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 119.136 -1.026 . . . . 29.6 109.849 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.62 -41.85 82.15 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.263 -0.426 . . . . 34.32 110.726 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -40.29 62.99 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.877 -0.329 . . . . 28.46 111.369 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 -31.84 72.72 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.131 -0.628 . . . . 55.2 111.502 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.9 60.37 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.047 -0.661 . . . . 35.69 111.316 -177.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 90' ' ' MET . . . . . . . . . . . . . 75.2 mtp -92.05 -3.84 55.24 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.866 0.691 . . . . 31.81 112.866 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.99 24.72 51.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.633 -0.794 . . . . 33.6 114.374 -176.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 92' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.01 138.32 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 44.2 108.005 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 93' ' ' SER . . . . . . . . . . . . . 85.3 p -91.42 -173.94 3.75 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.497 0.665 . . . . 92.75 109.962 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 114.009 1.115 . . . . 101.21 114.009 -176.908 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ttm . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 121.175 0.512 . . . . 75.52 110.698 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -113.94 171.02 7.84 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.485 1.514 . . . . 59.17 109.493 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -107.46 95.61 5.83 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.342 -2.096 . . . . 34.1 105.342 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -155.07 102.86 2.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 105.958 -1.868 . . . . 38.75 105.958 -166.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.36 -172.88 40.09 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 122.72 1.178 . . . . 27.79 114.806 -170.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.74 80.85 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.206 -0.997 . . . . 23.22 112.038 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -34.31 77.86 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.643 -1.223 . . . . 70.39 110.717 178.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.91 -36.08 67.2 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 121.052 -0.259 . . . . 54.15 110.586 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 44.9 tpp -64.35 -38.0 89.49 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.663 -0.415 . . . . 31.39 111.073 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -64.51 -35.11 79.9 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 118.991 -1.083 . . . . 34.13 111.953 173.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 tttm -73.21 -30.02 63.21 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 117.939 -1.505 . . . . 59.13 111.455 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.26 18.02 58.19 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.625 -0.672 . . . . 21.34 114.586 176.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.37 -47.21 74.09 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.399 -0.52 . . . . 29.22 111.6 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.42 -42.68 95.91 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.056 -0.658 . . . . 51.71 111.303 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.83 -49.49 73.11 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.087 -0.645 . . . . 30.03 111.14 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.85 -49.74 72.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.909 0.385 . . . . 15.76 111.952 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.88 -47.47 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.579 0.704 . . . . 26.7 110.502 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -68.14 -34.22 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.496 . . . . 87.21 112.132 -177.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -110.02 -12.37 14.54 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.167 1.543 . . . . 35.97 115.167 -164.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' SER . . . . . . . . . . . . . 31.8 p -74.49 139.62 43.99 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 118.987 -1.085 . . . . 28.76 110.211 -177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -88.95 156.15 19.07 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.816 -0.754 . . . . 60.85 110.167 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.14 -50.6 73.41 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.272 -0.876 . . . . 29.29 111.587 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -60.89 -32.3 71.77 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 122.043 -0.411 . . . . 64.07 111.737 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 62.1 m -68.67 -37.75 79.86 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.416 -0.914 . . . . 28.59 110.832 174.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.59 -44.83 96.28 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.532 -0.867 . . . . 25.61 110.852 177.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -61.27 -42.64 98.99 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.441 -0.504 . . . . 43.77 111.871 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -66.16 -33.86 76.73 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.401 -0.919 . . . . 27.42 111.936 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.77 -42.36 77.57 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 119.889 -0.725 . . . . 28.69 111.314 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.46 -40.34 88.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.066 -0.653 . . . . 25.73 110.53 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -62.08 -46.66 88.13 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.325 -0.55 . . . . 58.78 110.709 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -56.53 -53.41 57.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.225 -0.443 . . . . 60.86 111.454 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' MET . . . . . . . . . . . . . 27.2 mmt -60.6 -32.49 71.61 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.004 -0.435 . . . . 29.21 112.057 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 tp -75.8 -40.86 54.34 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.074 -1.05 . . . . 28.73 111.003 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.29 86.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.564 0.221 . . . . 39.32 111.454 175.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -75.47 0.95 15.38 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.483 0.713 . . . . 76.1 112.889 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 64.12 18.32 11.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.512 1.125 . . . . 29.83 113.063 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -38.25 81.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 120.914 0.387 . . . . 27.02 110.522 165.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -98.8 151.62 20.6 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.57 -0.706 . . . . 26.76 110.574 169.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.24 168.04 11.36 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.4 -0.963 . . . . 37.44 108.4 158.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -67.66 -26.28 66.13 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 117.799 -1.56 . . . . 47.19 111.737 -172.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.87 -50.29 67.06 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.181 -1.009 . . . . 39.33 112.735 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.87 -42.19 97.59 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 122.117 -0.637 . . . . 46.06 111.76 -175.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.16 73.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.486 -0.486 . . . . 45.36 111.57 176.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.22 77.22 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.74 -0.384 . . . . 31.35 111.43 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.8 -48.39 79.32 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.183 0.516 . . . . 77.65 111.102 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.56 -44.98 46.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.859 0.361 . . . . 32.4 110.335 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.03 -21.52 59.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.542 0.941 . . . . 35.59 113.542 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.77 136.55 32.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.776 0.716 . . . . 72.06 111.593 -175.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -146.59 59.71 1.21 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.126 0.965 . . . . 62.17 108.546 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -63.52 -25.57 68.31 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.689 -0.687 . . . . 51.03 111.871 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.86 -48.12 67.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.858 0.299 . . . . 67.94 111.701 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' ILE . . . . . . . . . . . . . 8.8 mm -59.79 -44.85 94.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.454 -0.499 . . . . 44.2 109.76 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -56.33 -48.47 76.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.537 -0.301 . . . . 24.73 111.785 -176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.3 83.43 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.534 -0.866 . . . . 25.29 111.384 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -64.74 -39.48 93.71 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.112 -0.635 . . . . 53.69 111.374 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.66 -46.21 96.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 119.706 -0.798 . . . . 23.72 110.184 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.0 99.33 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 111.941 0.348 . . . . 22.03 111.941 -177.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -57.04 -51.57 68.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.17 -0.612 . . . . 31.67 111.391 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.3 78.09 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.522 -0.471 . . . . 23.04 111.156 -176.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 tp -67.27 -51.88 47.55 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.8 -0.36 . . . . 28.15 111.601 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 tt -73.0 -33.15 42.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 118.74 -1.184 . . . . 26.37 111.028 -172.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 62' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -64.81 -32.67 74.47 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 121.804 -0.56 . . . . 49.06 112.123 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 24.7 m -72.03 -39.15 69.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.793 -0.567 . . . . 35.81 111.476 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.09 -41.44 84.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 121.047 0.451 . . . . 28.19 110.262 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 53.1 m -66.98 -31.67 72.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 119.818 -0.753 . . . . 36.93 110.372 -175.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.23 -28.43 70.03 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.928 -0.309 . . . . 47.94 111.591 -178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 67' ' ' LYS . . . . . 0.661 ' NZ ' ' O ' ' C' ' 37' ' ' VAL . 17.8 mttt -87.24 -1.53 57.97 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 114.398 1.258 . . . . 44.57 114.398 -174.493 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -159.98 27.18 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 123.05 1.361 . . . . 39.73 114.244 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 69' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -76.71 -41.24 45.94 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.036 -1.082 . . . . 43.14 113.226 -159.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.13 -40.56 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 118.507 -1.277 . . . . 30.34 110.019 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.78 87.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.63 0.252 . . . . 20.99 110.787 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 72' ' ' CYS . . . . . . . . . . . . . 68.0 m -61.47 -35.82 78.72 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.748 -0.381 . . . . 33.91 111.031 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 73' ' ' SER . . . . . . . . . . . . . 58.9 m -69.51 -39.52 77.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.516 0.198 . . . . 33.3 111.471 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.41 -40.86 89.84 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.741 0.305 . . . . 23.5 110.741 171.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 75' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.56 -39.14 91.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.49 -0.323 . . . . 30.13 110.862 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.83 74.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.041 -1.064 . . . . 25.51 110.62 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.62 99.76 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 119.745 -1.217 . . . . 26.03 112.008 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.62 75.49 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.341 -0.543 . . . . 23.44 112.165 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 79' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -48.73 82.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 120.164 -0.614 . . . . 25.33 109.953 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.59 69.89 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.414 0.524 . . . . 29.65 112.414 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -71.3 -32.55 68.77 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 111.983 0.364 . . . . 60.28 111.983 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 82' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.8 -44.23 15.76 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.818 1.044 . . . . 34.53 113.818 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 83' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -153.6 111.96 3.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.811 -0.811 . . . . 65.85 108.811 -172.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 84' ' ' VAL . . . . . . . . . . . . . 2.2 p -71.9 -30.54 37.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 123.64 0.588 . . . . 34.66 110.784 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.21 -45.43 98.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.487 0.66 . . . . 32.82 109.809 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -39.73 94.82 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.38 -0.373 . . . . 34.39 111.049 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.3 88.07 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.742 0.306 . . . . 28.87 111.462 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.64 -42.92 97.89 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.726 -0.79 . . . . 55.19 111.465 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -21.55 61.58 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.06 0.763 . . . . 30.49 113.06 -174.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 90' ' ' MET . . . . . . . . . . . . . 76.7 mtp -96.01 -1.52 48.78 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.993 0.738 . . . . 39.34 112.993 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.1 24.68 70.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.755 -1.212 . . . . 38.09 114.848 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 92' ' ' ILE . . . . . . . . . . . . . 43.0 mt -89.07 137.45 21.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 118.639 1.22 . . . . 37.64 108.547 168.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 93' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 118.964 -1.095 . . . . 67.24 110.612 175.096 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 mtt . . . . . 0 C--O 1.235 0.318 0 CA-C-O 122.801 1.286 . . . . 54.6 112.208 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -143.91 155.73 44.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.143 -2.169 . . . . 56.42 105.143 166.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -90.21 100.12 13.01 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.016 -1.476 . . . . 48.63 107.016 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -161.16 105.93 1.34 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.033 -1.469 . . . . 36.55 107.033 -166.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.4 -169.57 31.67 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-O 122.672 1.151 . . . . 30.91 113.892 -168.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' ARG . . . -70.27 -36.0 74.14 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.417 -0.892 . . . . 24.78 111.627 -176.612 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -57.61 -44.69 85.66 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.922 -0.711 . . . . 47.66 110.356 171.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.64 -29.49 63.51 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.539 -0.865 . . . . 64.37 111.825 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.7 tpp -72.53 -36.46 68.31 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 120.163 -0.615 . . . . 28.16 111.386 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 15.5 mtt85 -60.38 -42.94 96.89 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.673 -0.811 . . . . 57.61 111.597 172.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -66.25 -21.57 66.29 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 118.963 -1.095 . . . . 54.07 112.87 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.71 5.99 62.41 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 118.95 0.795 . . . . 25.69 114.99 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -64.86 -51.59 61.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 117.991 0.896 . . . . 26.08 111.508 -169.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.88 -43.66 86.2 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.642 -0.423 . . . . 31.44 111.378 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.39 93.47 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.034 -0.667 . . . . 24.91 111.016 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' HA ' HD11 ' B' ' 86' ' ' LEU . 86.2 t80 -65.85 -42.78 90.03 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 119.013 -1.075 . . . . 19.49 111.464 -178.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.29 -40.3 84.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.982 0.42 . . . . 28.53 110.696 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -69.67 -43.87 71.64 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 121.93 -0.481 . . . . 71.69 112.061 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.83 -18.02 14.82 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 114.707 1.373 . . . . 32.08 114.707 -160.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 p -70.91 136.54 48.63 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 119.456 1.026 . . . . 28.06 110.883 -174.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -85.38 160.01 19.87 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.874 0.845 . . . . 50.48 110.365 175.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.88 -40.94 97.72 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.239 -0.891 . . . . 37.69 111.477 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.5 -37.76 82.16 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.744 -0.382 . . . . 84.61 111.264 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.7 m -65.21 -36.09 83.1 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.741 -0.783 . . . . 49.15 111.147 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.99 -41.86 81.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.959 -0.696 . . . . 23.89 110.999 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.39 -40.76 93.87 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.457 -0.497 . . . . 40.9 111.125 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -66.01 -42.46 89.68 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 118.896 -1.122 . . . . 41.44 111.281 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.044 -0.662 . . . . 24.94 111.334 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -44.07 95.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 120.86 0.362 . . . . 26.31 110.629 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -59.07 -41.95 89.2 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.489 -0.485 . . . . 54.53 111.31 174.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -64.9 -35.58 81.6 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.947 0.351 . . . . 53.75 111.947 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.1 mmt -75.71 -24.89 56.26 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.523 -0.471 . . . . 24.91 111.89 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -68.86 -41.85 77.85 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.603 -0.839 . . . . 34.84 110.909 168.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.75 -33.18 75.06 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.368 -0.933 . . . . 40.61 111.804 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -80.41 -2.01 43.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 113.247 0.832 . . . . 59.96 113.247 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' A' ' 36' ' ' ARG . 6.6 mmt85 66.82 22.06 10.33 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.625 0.77 . . . . 66.41 112.797 -174.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.89 -41.19 46.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 121.67 -0.643 . . . . 27.63 109.816 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -107.92 145.25 34.04 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.532 0.733 . . . . 33.11 109.405 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -92.01 170.93 9.45 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.444 -0.947 . . . . 35.98 108.444 160.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -63.34 -36.26 83.11 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.789 -0.764 . . . . 53.02 111.252 -171.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.08 -43.23 95.27 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.702 -0.761 . . . . 36.69 113.263 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.05 -47.57 70.94 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.005 -0.703 . . . . 43.65 111.359 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.6 88.29 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.176 -0.328 . . . . 24.16 111.283 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.76 88.32 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.74 -0.784 . . . . 28.24 110.756 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -47.1 86.84 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 111.971 0.36 . . . . 68.37 111.971 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.53 -39.67 83.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 120.222 -0.591 . . . . 33.27 110.532 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.49 -29.67 61.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.513 0.561 . . . . 44.06 112.513 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -72.46 128.62 36.17 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.965 -0.694 . . . . 61.07 109.811 -175.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 p -147.19 50.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.38 -0.97 . . . . 49.38 108.38 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -64.88 -34.26 77.98 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.728 -0.669 . . . . 37.1 112.021 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.08 -43.62 98.03 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.434 -0.906 . . . . 73.59 111.597 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.41 -38.79 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 119.328 -0.949 . . . . 36.41 110.445 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -53.96 -56.17 20.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.259 0.552 . . . . 19.26 111.155 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.59 -33.88 70.48 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.382 -0.372 . . . . 20.01 111.328 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NH1' ' A' ' 58' ' ' ARG . 24.8 m-20 -71.11 -34.04 70.72 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 119.459 -0.897 . . . . 56.83 111.869 178.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -41.67 90.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.829 0.347 . . . . 19.05 110.625 169.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.81 93.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.907 -0.496 . . . . 19.68 111.205 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' NH1' ' OD2' ' A' ' 55' ' ' ASP . 78.9 mtt85 -58.5 -49.52 77.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.991 0.424 . . . . 22.28 110.929 177.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.33 94.97 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.478 -0.489 . . . . 23.46 111.104 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.31 -52.31 42.05 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.837 -0.345 . . . . 19.72 111.433 -176.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 tt -70.65 -30.47 42.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 120.365 -0.534 . . . . 24.62 110.694 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.84 -34.6 69.42 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 118.79 -1.164 . . . . 35.12 111.314 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -68.58 -36.25 78.48 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.594 -0.842 . . . . 34.59 111.441 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -65.69 -51.57 60.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.114 0.483 . . . . 26.58 110.392 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.4 m -59.52 -35.76 74.8 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 121.919 -0.488 . . . . 29.74 111.902 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.83 -24.71 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.416 0.524 . . . . 42.47 112.416 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.6 -8.42 59.6 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.202 0.815 . . . . 30.07 113.202 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.85 -163.98 18.53 Favored Glycine 0 CA--C 1.516 0.151 0 CA-C-O 122.592 1.107 . . . . 29.5 114.003 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.37 -38.48 63.16 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.574 -0.813 . . . . 43.14 112.593 -163.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.42 -41.13 85.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.973 -0.691 . . . . 27.28 110.858 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.5 82.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.52 -0.872 . . . . 24.32 110.516 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.0 m -56.17 -34.18 65.96 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.551 -0.46 . . . . 32.2 111.353 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.2 m -74.5 -37.79 63.03 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 118.227 -1.389 . . . . 29.84 110.84 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.4 -49.22 74.65 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.539 -0.864 . . . . 26.82 110.43 173.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -50.05 -45.19 51.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 33.07 112.225 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.76 78.32 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.451 -0.9 . . . . 32.14 111.523 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.23 -39.4 95.92 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.011 -1.09 . . . . 38.01 112.523 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.87 75.31 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.656 -0.818 . . . . 31.17 111.576 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.03 -47.75 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 119.794 -0.762 . . . . 35.11 110.401 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.6 -41.7 73.8 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.365 -0.534 . . . . 51.26 111.541 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . 0.438 HH22 ' HE2' ' B' ' 31' ' ' LYS . 10.6 mtm105 -71.57 -17.25 62.31 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 113.029 0.751 . . . . 64.1 113.029 179.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -99.1 -40.5 7.98 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 113.843 1.053 . . . . 44.22 113.843 -176.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -149.92 110.52 4.25 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.275 -1.38 . . . . 50.51 107.275 -177.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -71.04 -33.83 53.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.809 -0.756 . . . . 32.95 110.979 -175.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.48 -45.42 68.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 119.513 -0.875 . . . . 38.33 110.186 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -59.82 -41.76 91.98 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.896 -0.321 . . . . 40.31 111.103 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.78 82.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.029 -0.668 . . . . 35.98 110.821 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.51 -38.48 87.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.634 0.254 . . . . 70.13 111.536 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.46 67.87 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.438 0.533 . . . . 30.74 112.438 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 84.2 mtp -95.83 -8.64 33.65 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 113.439 0.903 . . . . 37.83 113.439 -175.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.09 12.65 56.15 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 115.003 0.761 . . . . 34.07 115.003 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 70.2 mt -89.29 139.66 17.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 118.186 0.993 . . . . 42.99 108.738 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 m -71.18 147.58 48.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 78.51 110.608 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.068 -0.653 . . . . 89.29 111.349 -176.718 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 69.74 111.377 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.81 159.5 16.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.45 1.5 . . . . 60.05 109.604 171.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -112.46 91.16 3.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 104.946 -2.242 . . . . 38.95 104.946 167.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -138.3 90.28 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.974 -1.861 . . . . 36.54 105.974 -174.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.51 -171.51 45.18 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-O 122.08 0.822 . . . . 20.7 113.487 -171.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.86 99.47 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 114.78 -0.71 . . . . 31.94 111.969 -169.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -53.83 -57.38 11.13 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.89 0.376 . . . . 76.67 111.294 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.75 -40.97 80.95 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.872 -0.731 . . . . 70.71 111.08 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 59.0 tpp -60.22 -39.34 86.28 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.715 -0.394 . . . . 30.32 111.101 -178.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -68.18 -32.01 71.94 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.821 -0.752 . . . . 50.11 111.825 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -71.02 -25.06 62.5 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.118 -1.033 . . . . 56.04 112.693 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.51 3.0 74.7 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 118.269 0.486 . . . . 26.0 113.587 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -55.71 -50.83 69.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 117.639 0.72 . . . . 31.95 111.966 -173.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.74 -36.76 85.33 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.495 -0.882 . . . . 32.38 111.373 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.13 93.39 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 119.421 -0.912 . . . . 25.77 110.928 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.62 -38.69 80.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.488 -0.485 . . . . 26.83 111.11 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.59 -45.24 89.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.064 0.459 . . . . 29.42 110.813 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -73.95 -39.2 63.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.713 -0.617 . . . . 66.96 112.398 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.36 -13.81 18.63 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.861 1.43 . . . . 30.19 114.861 -163.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p -73.12 133.35 44.09 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.511 1.05 . . . . 26.69 111.852 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -76.16 155.74 34.32 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.942 -0.572 . . . . 57.12 110.13 170.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.76 -36.33 83.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.693 -0.685 . . . . 31.53 111.115 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -67.91 -37.43 81.7 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 122.2 -0.313 . . . . 74.31 110.871 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 m -56.6 -51.52 68.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.902 0.382 . . . . 30.58 110.903 171.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.76 -44.83 82.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.628 -0.26 . . . . 25.08 111.549 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -67.29 -38.08 84.44 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.905 -0.718 . . . . 50.87 111.413 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.53 -45.27 94.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.907 0.384 . . . . 32.0 111.602 174.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.07 -38.9 93.02 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 120.072 -0.651 . . . . 35.64 110.712 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.17 -44.38 98.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 119.939 -0.704 . . . . 27.15 109.931 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.89 -42.41 97.47 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.519 -0.873 . . . . 57.28 111.129 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HE2' HH22 ' A' ' 81' ' ' ARG . 57.8 tptt -61.02 -46.46 90.63 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.779 -0.769 . . . . 53.82 111.186 178.627 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 24.4 mmt -65.55 -26.78 68.03 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.677 -0.809 . . . . 30.82 111.9 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.5 -40.89 80.71 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.08 -0.648 . . . . 35.97 110.236 170.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.74 84.66 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.528 -0.306 . . . . 36.37 111.356 -178.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -83.91 7.62 17.61 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 113.371 0.878 . . . . 62.18 113.371 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 58.39 21.91 8.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.386 1.074 . . . . 70.73 112.594 -175.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.7 -41.33 70.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 O-C-N 121.588 -0.695 . . . . 28.89 110.007 171.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -107.23 148.44 28.92 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.488 1.115 . . . . 34.03 109.912 173.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -92.96 167.01 12.1 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.941 0.896 . . . . 34.43 108.977 159.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -59.41 -31.48 69.3 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 119.157 -1.017 . . . . 54.03 112.363 -174.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.15 -38.94 96.65 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.162 -1.018 . . . . 34.93 113.161 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.7 -42.5 70.55 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.567 -0.853 . . . . 50.94 111.318 -178.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.2 68.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.444 -0.502 . . . . 39.33 111.794 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.88 -32.88 21.43 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 121.985 -0.447 . . . . 47.33 111.807 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.18 -52.15 62.09 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.543 -0.463 . . . . 89.23 110.738 173.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.4 -46.31 58.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.218 0.532 . . . . 44.33 111.005 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.51 -40.31 17.8 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 121.697 -0.627 . . . . 65.62 112.641 -169.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.77 -24.4 60.94 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.974 -0.691 . . . . 84.53 112.411 -174.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -74.23 -14.78 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.01 0.745 . . . . 60.86 113.01 173.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -138.39 70.2 1.38 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.619 1.2 . . . . 44.63 109.659 -167.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -87.69 102.58 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.097 -1.627 . . . . 63.61 108.372 -176.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.12 -37.72 79.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 32.73 110.584 174.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -61.05 -49.2 78.32 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.846 -0.534 . . . . 29.9 110.866 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.73 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.258 -0.577 . . . . 21.61 111.464 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.44 -46.07 88.0 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.809 0.338 . . . . 55.53 111.07 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.19 -39.02 83.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 120.988 -0.285 . . . . 20.62 110.887 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.41 93.27 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 121.838 -0.539 . . . . 20.23 111.445 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -66.7 -43.57 83.99 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 120.833 -0.347 . . . . 43.57 110.871 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.14 83.1 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.498 -0.481 . . . . 18.5 110.797 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.12 -53.62 23.99 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.57 0.224 . . . . 20.66 111.164 -177.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 tt -71.03 -26.12 26.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.014 -1.075 . . . . 25.67 110.743 -173.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -76.41 -34.31 58.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.528 -0.869 . . . . 33.29 111.628 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 24.1 m -61.3 -44.58 96.98 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 119.335 -0.946 . . . . 32.28 111.354 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.03 -51.81 61.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 120.775 0.321 . . . . 20.43 110.759 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 51.0 m -53.55 -42.81 67.88 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.741 -0.383 . . . . 31.3 110.959 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -65.31 -27.15 68.41 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.899 0.703 . . . . 38.96 112.899 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -77.11 -4.15 42.96 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 114.146 1.165 . . . . 25.57 114.146 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 -168.19 31.18 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-O 123.126 1.403 . . . . 22.92 115.439 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -74.39 -40.89 61.76 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 113.899 -1.15 . . . . 32.66 113.216 -158.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.83 -55.09 26.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.404 0.621 . . . . 28.73 109.927 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.71 71.96 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.789 -0.569 . . . . 29.58 111.122 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' CYS . . . . . . . . . . . . . 23.9 m -59.66 -39.74 85.44 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.844 -0.743 . . . . 26.76 110.931 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.4 m -68.02 -42.06 81.25 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.012 -0.43 . . . . 35.86 111.709 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.36 -47.58 84.87 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.013 0.435 . . . . 36.14 110.356 173.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.43 -47.12 79.74 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.284 -0.416 . . . . 33.79 111.454 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.76 87.99 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.857 -0.737 . . . . 24.57 111.071 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.48 93.65 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 119.617 -1.278 . . . . 38.7 112.286 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.36 72.57 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.268 -0.548 . . . . 27.86 112.245 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.77 -51.66 70.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.818 -0.753 . . . . 22.65 110.353 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.24 56.97 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 111.925 0.343 . . . . 39.38 111.925 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.39 -18.52 57.23 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.342 0.497 . . . . 52.31 112.342 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -92.15 -51.22 5.28 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.249 0.463 . . . . 50.74 112.249 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -143.96 112.48 6.5 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.168 -1.049 . . . . 57.28 108.168 -167.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.0 -30.5 41.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 123.323 0.389 . . . . 33.71 111.568 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.0 t -71.16 -43.82 74.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 121.408 0.623 . . . . 32.95 110.625 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 16' ' ' PHE . 17.5 tp -60.28 -43.05 96.57 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 119.854 -0.738 . . . . 36.74 110.643 173.572 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.83 87.53 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.902 -0.719 . . . . 27.92 110.829 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.64 -42.1 98.42 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.795 0.331 . . . . 48.02 111.666 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.42 70.2 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.527 -0.869 . . . . 26.33 111.732 -175.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 74.6 mtp -90.94 -0.83 57.83 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.659 0.985 . . . . 34.62 113.659 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.9 11.9 64.7 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 115.746 1.058 . . . . 31.62 115.746 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 30.5 mt -90.21 134.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 118.48 1.14 . . . . 50.68 108.171 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.0 p -96.61 140.32 31.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.44 . . . . 73.89 110.96 -176.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 79.56 111.169 177.731 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.348 0.594 . . . . 39.87 109.996 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -127.25 150.41 49.56 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.165 -1.05 . . . . 71.64 108.165 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -78.97 101.19 7.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.388 -1.338 . . . . 38.61 107.388 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -171.99 96.47 0.16 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 31.83 108.13 -167.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.98 -159.51 34.26 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.988 0.771 . . . . 31.21 114.412 -174.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -34.6 71.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.218 0.822 . . . . 32.19 113.218 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -67.08 -40.41 86.99 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.107 -1.037 . . . . 77.19 111.379 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -72.42 -27.58 62.43 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.159 -0.616 . . . . 63.27 111.584 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 51.0 tpp -73.22 -31.49 64.18 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 122.23 -0.293 . . . . 32.49 111.316 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -68.94 -41.22 78.38 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.546 0.212 . . . . 65.32 111.322 174.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.44 -39.35 79.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.142 -0.623 . . . . 70.05 111.585 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.15 7.07 82.6 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 115.468 0.947 . . . . 27.39 115.468 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -57.41 -50.31 73.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 117.827 0.814 . . . . 42.08 111.6 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.39 -40.39 90.72 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.207 -0.597 . . . . 32.88 111.714 -175.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.53 72.44 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 119.567 -0.853 . . . . 22.73 111.489 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.29 -41.0 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 118.556 -1.258 . . . . 24.79 110.686 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.63 -41.39 80.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.834 0.35 . . . . 23.95 110.672 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -65.68 -45.93 81.0 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.036 -0.415 . . . . 65.37 111.839 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.81 -12.65 16.8 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 114.612 1.338 . . . . 26.65 114.612 -161.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -70.85 138.48 50.3 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.399 0.999 . . . . 27.2 110.853 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.12 151.73 22.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.792 -0.64 . . . . 57.92 109.691 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LEU . . . . . 0.449 HD22 HD13 ' C' ' 52' ' ' ILE . 56.2 tp -59.1 -45.57 90.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.468 -0.787 . . . . 30.24 111.485 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -61.64 -39.27 90.73 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.19 -0.604 . . . . 68.93 111.404 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -62.66 -42.24 99.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 122.025 -0.422 . . . . 31.03 111.189 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.58 -47.86 80.94 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.43 -0.35 . . . . 25.23 111.508 175.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -64.55 -36.48 84.35 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.809 -0.757 . . . . 42.07 111.421 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.4 -44.42 87.53 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.163 -0.615 . . . . 31.18 111.92 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.28 -40.18 95.38 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 122.183 -0.323 . . . . 25.91 111.472 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.5 -47.05 94.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.79 -0.764 . . . . 32.02 109.959 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.15 -45.98 89.57 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.613 -0.267 . . . . 56.91 111.455 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -64.32 -38.16 90.07 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 112.162 0.43 . . . . 45.67 112.162 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 31.3 mmt -69.13 -27.31 65.45 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.671 -0.811 . . . . 31.01 111.053 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 64.7 tp -76.97 -47.75 19.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.561 -0.456 . . . . 31.87 110.596 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.01 74.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.773 0.286 . . . . 38.21 111.773 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -82.04 7.05 14.29 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.874 0.694 . . . . 71.69 112.874 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 54.22 29.4 10.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.077 0.951 . . . . 34.67 112.558 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' VAL . . . . . 0.661 ' O ' ' NZ ' ' D' ' 67' ' ' LYS . 98.0 t -70.17 -42.15 79.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.87 -0.332 . . . . 32.7 110.244 161.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -97.25 153.3 18.11 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.603 0.761 . . . . 38.73 110.691 169.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -95.22 179.38 5.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.704 -0.85 . . . . 28.0 108.704 163.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -63.08 -38.7 92.22 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.017 -0.538 . . . . 50.27 111.788 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.08 68.2 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.539 -0.839 . . . . 30.34 112.96 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.08 -41.99 97.11 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.951 -0.735 . . . . 55.83 111.749 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.99 90.03 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.914 -0.715 . . . . 33.47 110.466 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.6 82.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 122.342 -0.224 . . . . 41.69 111.569 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -58.9 -46.64 87.4 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.555 -0.458 . . . . 84.86 111.131 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.65 -35.19 65.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 122.624 0.369 . . . . 43.63 111.562 -176.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.86 -36.32 11.16 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 114.099 1.148 . . . . 57.2 114.099 -173.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.6 -28.4 65.91 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.119 -0.632 . . . . 80.08 111.549 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 15.7 m -73.09 -16.43 61.47 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.866 0.691 . . . . 53.65 112.866 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -134.24 79.06 1.79 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.836 0.743 . . . . 50.76 109.219 -172.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -90.02 108.46 19.74 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.665 -0.865 . . . . 55.55 108.665 -177.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' ILE . . . . . 0.449 HD13 HD22 ' C' ' 22' ' ' LEU . 1.5 tt -74.7 -34.07 33.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.622 -0.717 . . . . 57.99 110.624 178.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 53' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' D' ' 20' ' ' SER . 6.3 ttp85 -60.24 -43.15 96.33 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.772 -0.58 . . . . 25.36 110.765 178.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.52 85.27 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.368 -0.533 . . . . 22.91 111.495 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -60.83 -44.14 97.33 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.054 -0.659 . . . . 53.65 111.328 177.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.66 -45.89 96.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.065 0.46 . . . . 26.99 110.584 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.57 73.52 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.615 -0.266 . . . . 25.0 111.548 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -62.77 -45.93 90.39 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.876 0.369 . . . . 32.01 111.036 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.7 94.47 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.166 -0.614 . . . . 25.58 110.471 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 tp -66.35 -49.81 65.67 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.787 -0.365 . . . . 24.38 110.894 -176.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 tt -72.36 -35.14 51.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.012 -1.075 . . . . 24.95 110.891 -173.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.21 -29.68 67.69 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.833 -1.147 . . . . 40.99 112.085 177.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -69.17 -38.58 78.79 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.744 -1.182 . . . . 37.29 110.948 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.99 -47.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.187 0.518 . . . . 26.38 110.468 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 99.4 m -57.37 -39.6 76.35 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.41 -0.359 . . . . 25.12 111.706 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -67.55 -22.35 65.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 118.865 -1.134 . . . . 47.09 111.792 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.35 -8.67 59.63 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.935 1.087 . . . . 39.06 113.935 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.49 -176.33 27.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 123.001 1.334 . . . . 25.72 113.976 171.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.53 -42.72 99.23 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 113.329 -1.436 . . . . 44.16 112.266 -164.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.71 -45.64 96.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.189 0.519 . . . . 28.63 110.334 -176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.46 87.19 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.479 -0.328 . . . . 25.79 111.12 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.16 -31.71 72.93 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.067 -0.653 . . . . 23.93 111.425 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 73' ' ' SER . . . . . . . . . . . . . 62.0 m -72.42 -40.88 66.8 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.217 -0.993 . . . . 21.11 111.517 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.72 -50.78 72.65 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.068 0.461 . . . . 41.61 111.041 171.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 75' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.46 -46.07 84.07 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.327 -0.397 . . . . 28.78 111.208 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.07 78.98 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.002 0.371 . . . . 18.55 112.002 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.77 84.51 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 119.57 -1.3 . . . . 28.34 112.32 172.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.44 -35.95 82.14 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.272 -0.546 . . . . 29.46 112.045 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.81 -47.62 91.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 119.555 -0.858 . . . . 22.9 110.275 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.58 80.06 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.555 -0.293 . . . . 32.97 111.507 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -68.73 -23.79 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 119.06 -0.495 . . . . 53.86 112.303 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 82' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -94.89 -44.54 7.68 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.726 1.01 . . . . 55.81 113.726 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 83' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -147.72 110.08 4.61 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.823 0.738 . . . . 59.36 109.319 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.46 -34.38 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 O-C-N 123.245 0.341 . . . . 39.67 111.751 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.61 -47.79 84.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 119.136 -1.026 . . . . 29.6 109.849 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.62 -41.85 82.15 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.263 -0.426 . . . . 34.32 110.726 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -40.29 62.99 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.877 -0.329 . . . . 28.46 111.369 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 -31.84 72.72 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.131 -0.628 . . . . 55.2 111.502 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.9 60.37 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.047 -0.661 . . . . 35.69 111.316 -177.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 90' ' ' MET . . . . . . . . . . . . . 75.2 mtp -92.05 -3.84 55.24 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.866 0.691 . . . . 31.81 112.866 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.99 24.72 51.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.633 -0.794 . . . . 33.6 114.374 -176.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 92' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.01 138.32 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 44.2 108.005 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 93' ' ' SER . . . . . . . . . . . . . 85.3 p -91.42 -173.94 3.75 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.497 0.665 . . . . 92.75 109.962 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 114.009 1.115 . . . . 101.21 114.009 -176.908 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ttm . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 121.175 0.512 . . . . 75.52 110.698 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -113.94 171.02 7.84 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.485 1.514 . . . . 59.17 109.493 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -107.46 95.61 5.83 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.342 -2.096 . . . . 34.1 105.342 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -155.07 102.86 2.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 105.958 -1.868 . . . . 38.75 105.958 -166.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.36 -172.88 40.09 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 122.72 1.178 . . . . 27.79 114.806 -170.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.74 80.85 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.206 -0.997 . . . . 23.22 112.038 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -34.31 77.86 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.643 -1.223 . . . . 70.39 110.717 178.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.91 -36.08 67.2 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 121.052 -0.259 . . . . 54.15 110.586 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 44.9 tpp -64.35 -38.0 89.49 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.663 -0.415 . . . . 31.39 111.073 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -64.51 -35.11 79.9 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 118.991 -1.083 . . . . 34.13 111.953 173.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 tttm -73.21 -30.02 63.21 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 117.939 -1.505 . . . . 59.13 111.455 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.26 18.02 58.19 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.625 -0.672 . . . . 21.34 114.586 176.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.37 -47.21 74.09 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.399 -0.52 . . . . 29.22 111.6 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.42 -42.68 95.91 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.056 -0.658 . . . . 51.71 111.303 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.83 -49.49 73.11 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.087 -0.645 . . . . 30.03 111.14 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.85 -49.74 72.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.909 0.385 . . . . 15.76 111.952 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.88 -47.47 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.579 0.704 . . . . 26.7 110.502 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -68.14 -34.22 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.496 . . . . 87.21 112.132 -177.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -110.02 -12.37 14.54 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.167 1.543 . . . . 35.97 115.167 -164.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' SER . . . . . 0.496 ' O ' ' HD2' ' C' ' 53' ' ' ARG . 31.8 p -74.49 139.62 43.99 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 118.987 -1.085 . . . . 28.76 110.211 -177.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -88.95 156.15 19.07 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.816 -0.754 . . . . 60.85 110.167 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.14 -50.6 73.41 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.272 -0.876 . . . . 29.29 111.587 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -60.89 -32.3 71.77 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 122.043 -0.411 . . . . 64.07 111.737 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 62.1 m -68.67 -37.75 79.86 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.416 -0.914 . . . . 28.59 110.832 174.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.59 -44.83 96.28 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.532 -0.867 . . . . 25.61 110.852 177.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -61.27 -42.64 98.99 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.441 -0.504 . . . . 43.77 111.871 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -66.16 -33.86 76.73 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.401 -0.919 . . . . 27.42 111.936 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.77 -42.36 77.57 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 119.889 -0.725 . . . . 28.69 111.314 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.46 -40.34 88.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.066 -0.653 . . . . 25.73 110.53 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -62.08 -46.66 88.13 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.325 -0.55 . . . . 58.78 110.709 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -56.53 -53.41 57.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.225 -0.443 . . . . 60.86 111.454 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' MET . . . . . . . . . . . . . 27.2 mmt -60.6 -32.49 71.61 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.004 -0.435 . . . . 29.21 112.057 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 tp -75.8 -40.86 54.34 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.074 -1.05 . . . . 28.73 111.003 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.29 86.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.564 0.221 . . . . 39.32 111.454 175.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -75.47 0.95 15.38 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.483 0.713 . . . . 76.1 112.889 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 36' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 64.12 18.32 11.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.512 1.125 . . . . 29.83 113.063 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 37' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -38.25 81.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 120.914 0.387 . . . . 27.02 110.522 165.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -98.8 151.62 20.6 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.57 -0.706 . . . . 26.76 110.574 169.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.24 168.04 11.36 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.4 -0.963 . . . . 37.44 108.4 158.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -67.66 -26.28 66.13 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 117.799 -1.56 . . . . 47.19 111.737 -172.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.87 -50.29 67.06 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.181 -1.009 . . . . 39.33 112.735 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.87 -42.19 97.59 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 122.117 -0.637 . . . . 46.06 111.76 -175.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.16 73.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.486 -0.486 . . . . 45.36 111.57 176.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.22 77.22 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.74 -0.384 . . . . 31.35 111.43 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.8 -48.39 79.32 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.183 0.516 . . . . 77.65 111.102 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.56 -44.98 46.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.859 0.361 . . . . 32.4 110.335 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.03 -21.52 59.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.542 0.941 . . . . 35.59 113.542 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.77 136.55 32.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.776 0.716 . . . . 72.06 111.593 -175.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -146.59 59.71 1.21 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.126 0.965 . . . . 62.17 108.546 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -63.52 -25.57 68.31 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.689 -0.687 . . . . 51.03 111.871 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 51' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.86 -48.12 67.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.858 0.299 . . . . 67.94 111.701 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 52' ' ' ILE . . . . . . . . . . . . . 8.8 mm -59.79 -44.85 94.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.454 -0.499 . . . . 44.2 109.76 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -56.33 -48.47 76.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.537 -0.301 . . . . 24.73 111.785 -176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.3 83.43 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.534 -0.866 . . . . 25.29 111.384 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 55' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -64.74 -39.48 93.71 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.112 -0.635 . . . . 53.69 111.374 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 56' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.66 -46.21 96.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 119.706 -0.798 . . . . 23.72 110.184 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.0 99.33 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 111.941 0.348 . . . . 22.03 111.941 -177.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -57.04 -51.57 68.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.17 -0.612 . . . . 31.67 111.391 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.3 78.09 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.522 -0.471 . . . . 23.04 111.156 -176.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 tp -67.27 -51.88 47.55 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.8 -0.36 . . . . 28.15 111.601 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 tt -73.0 -33.15 42.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 118.74 -1.184 . . . . 26.37 111.028 -172.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 62' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -64.81 -32.67 74.47 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 121.804 -0.56 . . . . 49.06 112.123 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 24.7 m -72.03 -39.15 69.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.793 -0.567 . . . . 35.81 111.476 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.09 -41.44 84.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 121.047 0.451 . . . . 28.19 110.262 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 53.1 m -66.98 -31.67 72.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 119.818 -0.753 . . . . 36.93 110.372 -175.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.23 -28.43 70.03 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.928 -0.309 . . . . 47.94 111.591 -178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 67' ' ' LYS . . . . . 0.661 ' NZ ' ' O ' ' C' ' 37' ' ' VAL . 17.8 mttt -87.24 -1.53 57.97 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 114.398 1.258 . . . . 44.57 114.398 -174.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -159.98 27.18 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 123.05 1.361 . . . . 39.73 114.244 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 69' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -76.71 -41.24 45.94 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.036 -1.082 . . . . 43.14 113.226 -159.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.13 -40.56 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 118.507 -1.277 . . . . 30.34 110.019 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.78 87.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.63 0.252 . . . . 20.99 110.787 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 72' ' ' CYS . . . . . . . . . . . . . 68.0 m -61.47 -35.82 78.72 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.748 -0.381 . . . . 33.91 111.031 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 73' ' ' SER . . . . . . . . . . . . . 58.9 m -69.51 -39.52 77.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.516 0.198 . . . . 33.3 111.471 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.41 -40.86 89.84 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.741 0.305 . . . . 23.5 110.741 171.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 75' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.56 -39.14 91.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.49 -0.323 . . . . 30.13 110.862 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.83 74.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.041 -1.064 . . . . 25.51 110.62 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.62 99.76 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 119.745 -1.217 . . . . 26.03 112.008 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.62 75.49 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.341 -0.543 . . . . 23.44 112.165 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 79' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -48.73 82.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 120.164 -0.614 . . . . 25.33 109.953 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.59 69.89 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.414 0.524 . . . . 29.65 112.414 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -71.3 -32.55 68.77 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 111.983 0.364 . . . . 60.28 111.983 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 82' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.8 -44.23 15.76 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.818 1.044 . . . . 34.53 113.818 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 83' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -153.6 111.96 3.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.811 -0.811 . . . . 65.85 108.811 -172.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 84' ' ' VAL . . . . . . . . . . . . . 2.2 p -71.9 -30.54 37.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 123.64 0.588 . . . . 34.66 110.784 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.21 -45.43 98.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.487 0.66 . . . . 32.82 109.809 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -39.73 94.82 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.38 -0.373 . . . . 34.39 111.049 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.3 88.07 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.742 0.306 . . . . 28.87 111.462 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.64 -42.92 97.89 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.726 -0.79 . . . . 55.19 111.465 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -21.55 61.58 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.06 0.763 . . . . 30.49 113.06 -174.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 90' ' ' MET . . . . . . . . . . . . . 76.7 mtp -96.01 -1.52 48.78 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.993 0.738 . . . . 39.34 112.993 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.1 24.68 70.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.755 -1.212 . . . . 38.09 114.848 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 92' ' ' ILE . . . . . . . . . . . . . 43.0 mt -89.07 137.45 21.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 118.639 1.22 . . . . 37.64 108.547 168.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 93' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 118.964 -1.095 . . . . 67.24 110.612 175.096 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.9 mtt . . . . . 0 C--O 1.235 0.318 0 CA-C-O 122.801 1.286 . . . . 54.6 112.208 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -143.91 155.73 44.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 105.143 -2.169 . . . . 56.42 105.143 166.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -90.21 100.12 13.01 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.016 -1.476 . . . . 48.63 107.016 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -161.16 105.93 1.34 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 107.033 -1.469 . . . . 36.55 107.033 -166.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.4 -169.57 31.67 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-O 122.672 1.151 . . . . 30.91 113.892 -168.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 10' ' ' ARG . . . -70.27 -36.0 74.14 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 114.417 -0.892 . . . . 24.78 111.627 -176.612 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -57.61 -44.69 85.66 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.922 -0.711 . . . . 47.66 110.356 171.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -72.64 -29.49 63.51 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.539 -0.865 . . . . 64.37 111.825 -178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.7 tpp -72.53 -36.46 68.31 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 120.163 -0.615 . . . . 28.16 111.386 178.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 6' ' ' ALA . 15.5 mtt85 -60.38 -42.94 96.89 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 119.673 -0.811 . . . . 57.61 111.597 172.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -66.25 -21.57 66.29 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 118.963 -1.095 . . . . 54.07 112.87 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.71 5.99 62.41 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 118.95 0.795 . . . . 25.69 114.99 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 71.6 ttt-85 -64.86 -51.59 61.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 117.991 0.896 . . . . 26.08 111.508 -169.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.3 tp -57.88 -43.66 86.2 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.642 -0.423 . . . . 31.44 111.378 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.39 93.47 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 120.034 -0.667 . . . . 24.91 111.016 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.447 ' HA ' HD11 ' B' ' 86' ' ' LEU . 86.2 t80 -65.85 -42.78 90.03 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 119.013 -1.075 . . . . 19.49 111.464 -178.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.29 -40.3 84.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 120.982 0.42 . . . . 28.53 110.696 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -69.67 -43.87 71.64 Favored 'General case' 0 C--O 1.232 0.176 0 O-C-N 121.93 -0.481 . . . . 71.69 112.061 -178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -103.83 -18.02 14.82 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 114.707 1.373 . . . . 32.08 114.707 -160.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.1 p -70.91 136.54 48.63 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 119.456 1.026 . . . . 28.06 110.883 -174.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -85.38 160.01 19.87 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.874 0.845 . . . . 50.48 110.365 175.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.7 tp -63.88 -40.94 97.72 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 115.239 -0.891 . . . . 37.69 111.477 -176.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -60.5 -37.76 82.16 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.744 -0.382 . . . . 84.61 111.264 176.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 18.7 m -65.21 -36.09 83.1 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 119.741 -0.783 . . . . 49.15 111.147 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.99 -41.86 81.66 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.959 -0.696 . . . . 23.89 110.999 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -65.39 -40.76 93.87 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 120.457 -0.497 . . . . 40.9 111.125 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -66.01 -42.46 89.68 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 118.896 -1.122 . . . . 41.44 111.281 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.0 mt -58.82 -41.61 87.24 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.044 -0.662 . . . . 24.94 111.334 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.2 mt -65.12 -44.07 95.61 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 120.86 0.362 . . . . 26.31 110.629 179.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -59.07 -41.95 89.2 Favored 'General case' 0 C--O 1.24 0.593 0 C-N-CA 120.489 -0.485 . . . . 54.53 111.31 174.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.5 tptt -64.9 -35.58 81.6 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 111.947 0.351 . . . . 53.75 111.947 -179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 30.1 mmt -75.71 -24.89 56.26 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 120.523 -0.471 . . . . 24.91 111.89 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 mt -68.86 -41.85 77.85 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 119.603 -0.839 . . . . 34.84 110.909 168.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.75 -33.18 75.06 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 119.368 -0.933 . . . . 40.61 111.804 -178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -80.41 -2.01 43.82 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 113.247 0.832 . . . . 59.96 113.247 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.423 HH11 ' HG3' ' A' ' 36' ' ' ARG . 6.6 mmt85 66.82 22.06 10.33 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.625 0.77 . . . . 66.41 112.797 -174.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.1 t -74.89 -41.19 46.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 121.67 -0.643 . . . . 27.63 109.816 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -107.92 145.25 34.04 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.532 0.733 . . . . 33.11 109.405 175.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -92.01 170.93 9.45 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 108.444 -0.947 . . . . 35.98 108.444 160.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -63.34 -36.26 83.11 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.789 -0.764 . . . . 53.02 111.252 -171.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.08 -43.23 95.27 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.702 -0.761 . . . . 36.69 113.263 175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.05 -47.57 70.94 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 122.005 -0.703 . . . . 43.65 111.359 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.05 -41.6 88.29 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 122.176 -0.328 . . . . 24.16 111.283 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.76 88.32 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.74 -0.784 . . . . 28.24 110.756 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -59.52 -47.1 86.84 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 111.971 0.36 . . . . 68.37 111.971 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 33.6 mt -61.53 -39.67 83.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 C-N-CA 120.222 -0.591 . . . . 33.27 110.532 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.2 mt -74.49 -29.67 61.52 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 112.513 0.561 . . . . 44.06 112.513 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -72.46 128.62 36.17 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.965 -0.694 . . . . 61.07 109.811 -175.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.7 p -147.19 50.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.38 -0.97 . . . . 49.38 108.38 176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -64.88 -34.26 77.98 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.728 -0.669 . . . . 37.1 112.021 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -63.08 -43.62 98.03 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 119.434 -0.906 . . . . 73.59 111.597 -179.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.8 mt -69.41 -38.79 77.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 C-N-CA 119.328 -0.949 . . . . 36.41 110.445 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -53.96 -56.17 20.34 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.259 0.552 . . . . 19.26 111.155 176.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.59 -33.88 70.48 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.382 -0.372 . . . . 20.01 111.328 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NH1' ' A' ' 58' ' ' ARG . 24.8 m-20 -71.11 -34.04 70.72 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 119.459 -0.897 . . . . 56.83 111.869 178.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 66.8 mt -61.07 -41.67 90.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.829 0.347 . . . . 19.05 110.625 169.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.81 93.95 Favored 'General case' 0 C--O 1.24 0.589 0 O-C-N 121.907 -0.496 . . . . 19.68 111.205 -177.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.575 ' NH1' ' OD2' ' A' ' 55' ' ' ASP . 78.9 mtt85 -58.5 -49.52 77.06 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.991 0.424 . . . . 22.28 110.929 177.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.86 -40.33 94.97 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.478 -0.489 . . . . 23.46 111.104 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.31 -52.31 42.05 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.837 -0.345 . . . . 19.72 111.433 -176.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 tt -70.65 -30.47 42.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.5 0 C-N-CA 120.365 -0.534 . . . . 24.62 110.694 -176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -71.84 -34.6 69.42 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 118.79 -1.164 . . . . 35.12 111.314 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -68.58 -36.25 78.48 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.594 -0.842 . . . . 34.59 111.441 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.7 t -65.69 -51.57 60.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 121.114 0.483 . . . . 26.58 110.392 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.4 m -59.52 -35.76 74.8 Favored 'General case' 0 C--O 1.24 0.568 0 O-C-N 121.919 -0.488 . . . . 29.74 111.902 -173.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -63.83 -24.71 67.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.416 0.524 . . . . 42.47 112.416 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -82.6 -8.42 59.6 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 113.202 0.815 . . . . 30.07 113.202 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.85 -163.98 18.53 Favored Glycine 0 CA--C 1.516 0.151 0 CA-C-O 122.592 1.107 . . . . 29.5 114.003 171.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -74.37 -38.48 63.16 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.574 -0.813 . . . . 43.14 112.593 -163.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.42 -41.13 85.84 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 C-N-CA 119.973 -0.691 . . . . 27.28 110.858 -177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.57 -46.5 82.48 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 119.52 -0.872 . . . . 24.32 110.516 175.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 88.0 m -56.17 -34.18 65.96 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.551 -0.46 . . . . 32.2 111.353 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.2 m -74.5 -37.79 63.03 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 118.227 -1.389 . . . . 29.84 110.84 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.4 -49.22 74.65 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.539 -0.864 . . . . 26.82 110.43 173.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -50.05 -45.19 51.99 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.225 0.454 . . . . 33.07 112.225 174.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.76 78.32 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 119.451 -0.9 . . . . 32.14 111.523 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.23 -39.4 95.92 Favored Glycine 0 C--N 1.341 0.816 0 C-N-CA 120.011 -1.09 . . . . 38.01 112.523 172.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.87 75.31 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.656 -0.818 . . . . 31.17 111.576 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.2 mt -60.03 -47.75 90.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 C-N-CA 119.794 -0.762 . . . . 35.11 110.401 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.6 -41.7 73.8 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.365 -0.534 . . . . 51.26 111.541 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.438 HH22 ' HE2' ' B' ' 31' ' ' LYS . 10.6 mtm105 -71.57 -17.25 62.31 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 113.029 0.751 . . . . 64.1 113.029 179.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -99.1 -40.5 7.98 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 113.843 1.053 . . . . 44.22 113.843 -176.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -149.92 110.52 4.25 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 107.275 -1.38 . . . . 50.51 107.275 -177.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.7 m -71.04 -33.83 53.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 119.809 -0.756 . . . . 32.95 110.979 -175.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 48.0 t -71.48 -45.42 68.55 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 119.513 -0.875 . . . . 38.33 110.186 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -59.82 -41.76 91.98 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 120.896 -0.321 . . . . 40.31 111.103 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.94 -45.78 82.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.029 -0.668 . . . . 35.98 110.821 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.51 -38.48 87.31 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.634 0.254 . . . . 70.13 111.536 -177.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.3 -24.46 67.87 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.438 0.533 . . . . 30.74 112.438 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 84.2 mtp -95.83 -8.64 33.65 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 113.439 0.903 . . . . 37.83 113.439 -175.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.09 12.65 56.15 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 115.003 0.761 . . . . 34.07 115.003 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 70.2 mt -89.29 139.66 17.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 118.186 0.993 . . . . 42.99 108.738 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 m -71.18 147.58 48.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.559 0.695 . . . . 78.51 110.608 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.068 -0.653 . . . . 89.29 111.349 -176.718 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 CA--C 1.543 0.675 0 CA-C-O 121.899 0.857 . . . . 69.74 111.377 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -108.81 159.5 16.73 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 125.45 1.5 . . . . 60.05 109.604 171.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -112.46 91.16 3.55 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 104.946 -2.242 . . . . 38.95 104.946 167.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -138.3 90.28 2.46 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 105.974 -1.861 . . . . 36.54 105.974 -174.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.51 -171.51 45.18 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-O 122.08 0.822 . . . . 20.7 113.487 -171.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.8 -41.86 99.47 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 114.78 -0.71 . . . . 31.94 111.969 -169.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -53.83 -57.38 11.13 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.89 0.376 . . . . 76.67 111.294 178.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.75 -40.97 80.95 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.872 -0.731 . . . . 70.71 111.08 176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' MET . . . . . . . . . . . . . 59.0 tpp -60.22 -39.34 86.28 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.715 -0.394 . . . . 30.32 111.101 -178.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -68.18 -32.01 71.94 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 119.821 -0.752 . . . . 50.11 111.825 175.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -71.02 -25.06 62.5 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 119.118 -1.033 . . . . 56.04 112.693 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.51 3.0 74.7 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 118.269 0.486 . . . . 26.0 113.587 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -55.71 -50.83 69.27 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 117.639 0.72 . . . . 31.95 111.966 -173.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 tp -64.74 -36.76 85.33 Favored 'General case' 0 C--O 1.243 0.733 0 C-N-CA 119.495 -0.882 . . . . 32.38 111.373 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.04 -39.13 93.39 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 119.421 -0.912 . . . . 25.77 110.928 176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.62 -38.69 80.76 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.488 -0.485 . . . . 26.83 111.11 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.59 -45.24 89.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 121.064 0.459 . . . . 29.42 110.813 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -73.95 -39.2 63.91 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.713 -0.617 . . . . 66.96 112.398 -174.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 84.9 mt -100.36 -13.81 18.63 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 114.861 1.43 . . . . 30.19 114.861 -163.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 13.1 p -73.12 133.35 44.09 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 119.511 1.05 . . . . 26.69 111.852 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 42.9 mttt -76.16 155.74 34.32 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.942 -0.572 . . . . 57.12 110.13 170.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -65.76 -36.33 83.25 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.693 -0.685 . . . . 31.53 111.115 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -67.91 -37.43 81.7 Favored 'General case' 0 CA--C 1.513 -0.442 0 O-C-N 122.2 -0.313 . . . . 74.31 110.871 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 m -56.6 -51.52 68.35 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.902 0.382 . . . . 30.58 110.903 171.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.76 -44.83 82.15 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.628 -0.26 . . . . 25.08 111.549 -177.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -67.29 -38.08 84.44 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 119.905 -0.718 . . . . 50.87 111.413 179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.53 -45.27 94.91 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.907 0.384 . . . . 32.0 111.602 174.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.6 mt -63.07 -38.9 93.02 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 120.072 -0.651 . . . . 35.64 110.712 -178.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.17 -44.38 98.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 C-N-CA 119.939 -0.704 . . . . 27.15 109.931 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -63.89 -42.41 97.47 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.519 -0.873 . . . . 57.28 111.129 177.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HE2' HH22 ' A' ' 81' ' ' ARG . 57.8 tptt -61.02 -46.46 90.63 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.779 -0.769 . . . . 53.82 111.186 178.627 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 24.4 mmt -65.55 -26.78 68.03 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.677 -0.809 . . . . 30.82 111.9 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tp -68.5 -40.89 80.71 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.08 -0.648 . . . . 35.97 110.236 170.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.74 84.66 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 116.528 -0.306 . . . . 36.37 111.356 -178.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -83.91 7.62 17.61 Favored 'General case' 0 C--O 1.239 0.551 0 N-CA-C 113.371 0.878 . . . . 62.18 113.371 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 58.39 21.91 8.89 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.386 1.074 . . . . 70.73 112.594 -175.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.1 t -71.7 -41.33 70.93 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 O-C-N 121.588 -0.695 . . . . 28.89 110.007 171.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -107.23 148.44 28.92 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 124.488 1.115 . . . . 34.03 109.912 173.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -92.96 167.01 12.1 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.941 0.896 . . . . 34.43 108.977 159.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LYS . . . . . . . . . . . . . 6.2 pttp -59.41 -31.48 69.3 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 119.157 -1.017 . . . . 54.03 112.363 -174.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.15 -38.94 96.65 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.162 -1.018 . . . . 34.93 113.161 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -70.7 -42.5 70.55 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.567 -0.853 . . . . 50.94 111.318 -178.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.82 -25.2 68.07 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.444 -0.502 . . . . 39.33 111.794 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.88 -32.88 21.43 Favored 'General case' 0 C--O 1.235 0.306 0 O-C-N 121.985 -0.447 . . . . 47.33 111.807 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -54.18 -52.15 62.09 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.543 -0.463 . . . . 89.23 110.738 173.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 66.5 mt -53.4 -46.31 58.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.218 0.532 . . . . 44.33 111.005 179.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 42.2 mt -84.51 -40.31 17.8 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 121.697 -0.627 . . . . 65.62 112.641 -169.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -72.77 -24.4 60.94 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.974 -0.691 . . . . 84.53 112.411 -174.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -74.23 -14.78 60.98 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.01 0.745 . . . . 60.86 113.01 173.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -138.39 70.2 1.38 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.619 1.2 . . . . 44.63 109.659 -167.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -87.69 102.58 14.77 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 120.097 -1.627 . . . . 63.61 108.372 -176.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 5.7 mt -67.12 -37.72 79.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 115.88 -0.6 . . . . 32.73 110.584 174.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 17.3 ttp85 -61.05 -49.2 78.32 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 121.846 -0.534 . . . . 29.9 110.866 -177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.73 81.9 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.258 -0.577 . . . . 21.61 111.464 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.44 -46.07 88.0 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 120.809 0.338 . . . . 55.53 111.07 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.19 -39.02 83.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 C-N-CA 120.988 -0.285 . . . . 20.62 110.887 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 -41.41 93.27 Favored 'General case' 0 C--O 1.24 0.557 0 O-C-N 121.838 -0.539 . . . . 20.23 111.445 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 42.8 mtm-85 -66.7 -43.57 83.99 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 120.833 -0.347 . . . . 43.57 110.871 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.14 83.1 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.498 -0.481 . . . . 18.5 110.797 179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 17.2 tp -68.12 -53.62 23.99 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.57 0.224 . . . . 20.66 111.164 -177.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 17.4 tt -71.03 -26.12 26.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 119.014 -1.075 . . . . 25.67 110.743 -173.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -76.41 -34.31 58.81 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 119.528 -0.869 . . . . 33.29 111.628 177.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 24.1 m -61.3 -44.58 96.98 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 119.335 -0.946 . . . . 32.28 111.354 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.03 -51.81 61.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 120.775 0.321 . . . . 20.43 110.759 -178.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 51.0 m -53.55 -42.81 67.88 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.741 -0.383 . . . . 31.3 110.959 -177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -65.31 -27.15 68.41 Favored 'General case' 0 C--N 1.342 0.26 0 N-CA-C 112.899 0.703 . . . . 38.96 112.899 -178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -77.11 -4.15 42.96 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 114.146 1.165 . . . . 25.57 114.146 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 -168.19 31.18 Favored Glycine 0 CA--C 1.523 0.551 0 CA-C-O 123.126 1.403 . . . . 22.92 115.439 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -74.39 -40.89 61.76 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 113.899 -1.15 . . . . 32.66 113.216 -158.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.0 t -59.83 -55.09 26.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.404 0.621 . . . . 28.73 109.927 178.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.71 71.96 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.789 -0.569 . . . . 29.58 111.122 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' CYS . . . . . . . . . . . . . 23.9 m -59.66 -39.74 85.44 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 119.844 -0.743 . . . . 26.76 110.931 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.4 m -68.02 -42.06 81.25 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.012 -0.43 . . . . 35.86 111.709 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -59.36 -47.58 84.87 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.013 0.435 . . . . 36.14 110.356 173.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -56.43 -47.12 79.74 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.284 -0.416 . . . . 33.79 111.454 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.76 87.99 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.857 -0.737 . . . . 24.57 111.071 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.99 -46.48 93.65 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 119.617 -1.278 . . . . 38.7 112.286 176.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.15 -32.36 72.57 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 122.268 -0.548 . . . . 27.86 112.245 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.77 -51.66 70.06 Favored 'Isoleucine or valine' 0 C--O 1.238 0.492 0 C-N-CA 119.818 -0.753 . . . . 22.65 110.353 174.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.44 -39.24 56.97 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 111.925 0.343 . . . . 39.38 111.925 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 93.3 mtm-85 -77.39 -18.52 57.23 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.342 0.497 . . . . 52.31 112.342 -178.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -92.15 -51.22 5.28 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.249 0.463 . . . . 50.74 112.249 -177.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -143.96 112.48 6.5 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.168 -1.049 . . . . 57.28 108.168 -167.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' VAL . . . . . . . . . . . . . 5.5 p -71.0 -30.5 41.65 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 O-C-N 123.323 0.389 . . . . 33.71 111.568 -177.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.0 t -71.16 -43.82 74.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 CA-C-O 121.408 0.623 . . . . 32.95 110.625 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.447 HD11 ' HA ' ' A' ' 16' ' ' PHE . 17.5 tp -60.28 -43.05 96.57 Favored 'General case' 0 C--O 1.241 0.638 0 C-N-CA 119.854 -0.738 . . . . 36.74 110.643 173.572 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.97 -46.83 87.53 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.902 -0.719 . . . . 27.92 110.829 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -61.64 -42.1 98.42 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.795 0.331 . . . . 48.02 111.666 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.39 -30.42 70.2 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.527 -0.869 . . . . 26.33 111.732 -175.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 74.6 mtp -90.94 -0.83 57.83 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 113.659 0.985 . . . . 34.62 113.659 -179.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.9 11.9 64.7 Favored Glycine 0 C--O 1.239 0.415 0 N-CA-C 115.746 1.058 . . . . 31.62 115.746 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 30.5 mt -90.21 134.2 29.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 118.48 1.14 . . . . 50.68 108.171 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.0 p -96.61 140.32 31.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.023 0.44 . . . . 73.89 110.96 -176.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 63.5 tp60 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.98 -0.555 . . . . 79.56 111.169 177.731 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttp . . . . . 0 N--CA 1.47 0.531 0 CA-C-O 121.348 0.594 . . . . 39.87 109.996 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -127.25 150.41 49.56 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.165 -1.05 . . . . 71.64 108.165 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -78.97 101.19 7.64 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.388 -1.338 . . . . 38.61 107.388 178.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -171.99 96.47 0.16 Allowed 'General case' 0 C--O 1.238 0.473 0 N-CA-C 108.13 -1.063 . . . . 31.83 108.13 -167.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.98 -159.51 34.26 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-O 121.988 0.771 . . . . 31.21 114.412 -174.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.1 -34.6 71.27 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 113.218 0.822 . . . . 32.19 113.218 -175.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -67.08 -40.41 86.99 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 119.107 -1.037 . . . . 77.19 111.379 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -72.42 -27.58 62.43 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.159 -0.616 . . . . 63.27 111.584 179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' MET . . . . . . . . . . . . . 51.0 tpp -73.22 -31.49 64.18 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 122.23 -0.293 . . . . 32.49 111.316 179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -68.94 -41.22 78.38 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.546 0.212 . . . . 65.32 111.322 174.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -58.44 -39.35 79.61 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.142 -0.623 . . . . 70.05 111.585 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.15 7.07 82.6 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 115.468 0.947 . . . . 27.39 115.468 -178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 74.3 ttt-85 -57.41 -50.31 73.4 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 117.827 0.814 . . . . 42.08 111.6 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.39 -40.39 90.72 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 120.207 -0.597 . . . . 32.88 111.714 -175.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.53 72.44 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 119.567 -0.853 . . . . 22.73 111.489 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -68.29 -41.0 81.62 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 118.556 -1.258 . . . . 24.79 110.686 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' VAL . . . . . . . . . . . . . 76.6 t -69.63 -41.39 80.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-O 120.834 0.35 . . . . 23.95 110.672 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtm105 -65.68 -45.93 81.0 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.036 -0.415 . . . . 65.37 111.839 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -103.81 -12.65 16.8 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 114.612 1.338 . . . . 26.65 114.612 -161.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' SER . . . . . . . . . . . . . 31.1 p -70.85 138.48 50.3 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 119.399 0.999 . . . . 27.2 110.853 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -89.12 151.73 22.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.792 -0.64 . . . . 57.92 109.691 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LEU . . . . . 0.449 HD22 HD13 ' C' ' 52' ' ' ILE . 56.2 tp -59.1 -45.57 90.54 Favored 'General case' 0 C--O 1.239 0.548 0 CA-C-N 115.468 -0.787 . . . . 30.24 111.485 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -61.64 -39.27 90.73 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.19 -0.604 . . . . 68.93 111.404 -179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' THR . . . . . . . . . . . . . 24.6 m -62.66 -42.24 99.5 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 122.025 -0.422 . . . . 31.03 111.189 178.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LEU . . . . . . . . . . . . . 95.9 mt -57.58 -47.86 80.94 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.43 -0.35 . . . . 25.23 111.508 175.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -64.55 -36.48 84.35 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 119.809 -0.757 . . . . 42.07 111.421 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.4 -44.42 87.53 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.163 -0.615 . . . . 31.18 111.92 174.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.28 -40.18 95.38 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 122.183 -0.323 . . . . 25.91 111.472 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.5 -47.05 94.3 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 C-N-CA 119.79 -0.764 . . . . 32.02 109.959 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -59.15 -45.98 89.57 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.613 -0.267 . . . . 56.91 111.455 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -64.32 -38.16 90.07 Favored 'General case' 0 C--O 1.241 0.615 0 N-CA-C 112.162 0.43 . . . . 45.67 112.162 -176.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 31.3 mmt -69.13 -27.31 65.45 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 119.671 -0.811 . . . . 31.01 111.053 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 64.7 tp -76.97 -47.75 19.95 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.561 -0.456 . . . . 31.87 110.596 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.04 -41.01 74.33 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 111.773 0.286 . . . . 38.21 111.773 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -82.04 7.05 14.29 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.874 0.694 . . . . 71.69 112.874 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 54.22 29.4 10.54 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.077 0.951 . . . . 34.67 112.558 177.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' VAL . . . . . 0.661 ' O ' ' NZ ' ' D' ' 67' ' ' LYS . 98.0 t -70.17 -42.15 79.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 C-N-CA 120.87 -0.332 . . . . 32.7 110.244 161.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' PHE . . . . . . . . . . . . . 21.6 m-30 -97.25 153.3 18.11 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.603 0.761 . . . . 38.73 110.691 169.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -95.22 179.38 5.21 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.704 -0.85 . . . . 28.0 108.704 163.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -63.08 -38.7 92.22 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.017 -0.538 . . . . 50.27 111.788 -178.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.57 -50.08 68.2 Favored Glycine 0 C--N 1.337 0.626 0 C-N-CA 120.539 -0.839 . . . . 30.34 112.96 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.08 -41.99 97.11 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 121.951 -0.735 . . . . 55.83 111.749 -174.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.81 -45.99 90.03 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.914 -0.715 . . . . 33.47 110.466 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.6 82.87 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 122.342 -0.224 . . . . 41.69 111.569 178.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -58.9 -46.64 87.4 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.555 -0.458 . . . . 84.86 111.131 179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ILE . . . . . . . . . . . . . 34.8 mt -61.65 -35.19 65.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 122.624 0.369 . . . . 43.63 111.562 -176.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -95.86 -36.32 11.16 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 114.099 1.148 . . . . 57.2 114.099 -173.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.6 -28.4 65.91 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.119 -0.632 . . . . 80.08 111.549 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 15.7 m -73.09 -16.43 61.47 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.866 0.691 . . . . 53.65 112.866 173.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -134.24 79.06 1.79 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.836 0.743 . . . . 50.76 109.219 -172.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -90.02 108.46 19.74 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 108.665 -0.865 . . . . 55.55 108.665 -177.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' ILE . . . . . 0.449 HD13 HD22 ' C' ' 22' ' ' LEU . 1.5 tt -74.7 -34.07 33.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.543 0 CA-C-N 115.622 -0.717 . . . . 57.99 110.624 178.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' ARG . . . . . 0.496 ' HD2' ' O ' ' D' ' 20' ' ' SER . 6.3 ttp85 -60.24 -43.15 96.33 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 121.772 -0.58 . . . . 25.36 110.765 178.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -39.52 85.27 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.368 -0.533 . . . . 22.91 111.495 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -60.83 -44.14 97.33 Favored 'General case' 0 C--O 1.239 0.517 0 C-N-CA 120.054 -0.659 . . . . 53.65 111.328 177.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 84.8 mt -60.66 -45.89 96.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.065 0.46 . . . . 26.99 110.584 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.69 -44.57 73.52 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 116.615 -0.266 . . . . 25.0 111.548 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -62.77 -45.93 90.39 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 120.876 0.369 . . . . 32.01 111.036 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.7 94.47 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.166 -0.614 . . . . 25.58 110.471 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' LEU . . . . . . . . . . . . . 23.7 tp -66.35 -49.81 65.67 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.787 -0.365 . . . . 24.38 110.894 -176.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 tt -72.36 -35.14 51.1 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 119.012 -1.075 . . . . 24.95 110.891 -173.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.21 -29.68 67.69 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 118.833 -1.147 . . . . 40.99 112.085 177.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' SER . . . . . . . . . . . . . 9.7 m -69.17 -38.58 78.79 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 118.744 -1.182 . . . . 37.29 110.948 176.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.99 -47.03 80.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.187 0.518 . . . . 26.38 110.468 -179.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 99.4 m -57.37 -39.6 76.35 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.41 -0.359 . . . . 25.12 111.706 -176.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' LYS . . . . . . . . . . . . . 41.5 pttt -67.55 -22.35 65.41 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 118.865 -1.134 . . . . 47.09 111.792 -177.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -82.35 -8.67 59.63 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 113.935 1.087 . . . . 39.06 113.935 -179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.49 -176.33 27.55 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 123.001 1.334 . . . . 25.72 113.976 171.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -61.53 -42.72 99.23 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 113.329 -1.436 . . . . 44.16 112.266 -164.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.71 -45.64 96.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-O 121.189 0.519 . . . . 28.63 110.334 -176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.46 87.19 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.479 -0.328 . . . . 25.79 111.12 174.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' CYS . . . . . . . . . . . . . 88.9 m -63.16 -31.71 72.93 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 120.067 -0.653 . . . . 23.93 111.425 177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' SER . . . . . . . . . . . . . 62.0 m -72.42 -40.88 66.8 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.217 -0.993 . . . . 21.11 111.517 -177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -58.72 -50.78 72.65 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.068 0.461 . . . . 41.61 111.041 171.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -57.46 -46.07 84.07 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 116.327 -0.397 . . . . 28.78 111.208 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.99 -35.07 78.98 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 112.002 0.371 . . . . 18.55 112.002 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' GLY . . . . . . . . . . . . . . . -60.31 -48.77 84.51 Favored Glycine 0 C--N 1.333 0.412 0 C-N-CA 119.57 -1.3 . . . . 28.34 112.32 172.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.44 -35.95 82.14 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.272 -0.546 . . . . 29.46 112.045 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' ILE . . . . . . . . . . . . . 55.5 mt -62.81 -47.62 91.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 119.555 -0.858 . . . . 22.9 110.275 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.58 80.06 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 116.555 -0.293 . . . . 32.97 111.507 -177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -68.73 -23.79 64.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 119.06 -0.495 . . . . 53.86 112.303 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -94.89 -44.54 7.68 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 113.726 1.01 . . . . 55.81 113.726 -171.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -147.72 110.08 4.61 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.823 0.738 . . . . 59.36 109.319 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' VAL . . . . . . . . . . . . . 7.6 p -68.46 -34.38 65.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 O-C-N 123.245 0.341 . . . . 39.67 111.751 178.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 39.6 t -65.61 -47.79 84.98 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 119.136 -1.026 . . . . 29.6 109.849 176.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 27.4 tp -57.62 -41.85 82.15 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 116.263 -0.426 . . . . 34.32 110.726 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.02 -40.29 62.99 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 120.877 -0.329 . . . . 28.46 111.369 -173.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -66.86 -31.84 72.72 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.131 -0.628 . . . . 55.2 111.502 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.27 -23.9 60.37 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 120.047 -0.661 . . . . 35.69 111.316 -177.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 90' ' ' MET . . . . . . . . . . . . . 75.2 mtp -92.05 -3.84 55.24 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.866 0.691 . . . . 31.81 112.866 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 82.99 24.72 51.76 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.633 -0.794 . . . . 33.6 114.374 -176.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 92' ' ' ILE . . . . . . . . . . . . . 62.3 mt -95.01 138.32 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 44.2 108.005 176.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 93' ' ' SER . . . . . . . . . . . . . 85.3 p -91.42 -173.94 3.75 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.497 0.665 . . . . 92.75 109.962 177.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 94' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 114.009 1.115 . . . . 101.21 114.009 -176.908 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 6.1 ttm . . . . . 0 CA--C 1.538 0.484 0 CA-C-O 121.175 0.512 . . . . 75.52 110.698 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -113.94 171.02 7.84 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.485 1.514 . . . . 59.17 109.493 173.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -107.46 95.61 5.83 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 105.342 -2.096 . . . . 34.1 105.342 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -155.07 102.86 2.35 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 105.958 -1.868 . . . . 38.75 105.958 -166.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.36 -172.88 40.09 Favored Glycine 0 CA--C 1.525 0.714 0 CA-C-O 122.72 1.178 . . . . 27.79 114.806 -170.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.71 -35.74 80.85 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.206 -0.997 . . . . 23.22 112.038 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.83 -34.31 77.86 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 118.643 -1.223 . . . . 70.39 110.717 178.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -72.91 -36.08 67.2 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 121.052 -0.259 . . . . 54.15 110.586 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' MET . . . . . . . . . . . . . 44.9 tpp -64.35 -38.0 89.49 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.663 -0.415 . . . . 31.39 111.073 177.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 mtt85 -64.51 -35.11 79.9 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 118.991 -1.083 . . . . 34.13 111.953 173.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 tttm -73.21 -30.02 63.21 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 117.939 -1.505 . . . . 59.13 111.455 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.26 18.02 58.19 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.625 -0.672 . . . . 21.34 114.586 176.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -66.37 -47.21 74.09 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 120.399 -0.52 . . . . 29.22 111.6 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 16.7 tp -64.42 -42.68 95.91 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.056 -0.658 . . . . 51.71 111.303 -176.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.83 -49.49 73.11 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.087 -0.645 . . . . 30.03 111.14 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.85 -49.74 72.47 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.909 0.385 . . . . 15.76 111.952 -178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' VAL . . . . . . . . . . . . . 39.2 t -61.88 -47.47 93.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.579 0.704 . . . . 26.7 110.502 -176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ARG . . . . . . . . . . . . . 41.0 ttt-85 -68.14 -34.22 75.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.11 -0.496 . . . . 87.21 112.132 -177.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 74.2 mt -110.02 -12.37 14.54 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 115.167 1.543 . . . . 35.97 115.167 -164.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' SER . . . . . 0.496 ' O ' ' HD2' ' C' ' 53' ' ' ARG . 31.8 p -74.49 139.62 43.99 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 118.987 -1.085 . . . . 28.76 110.211 -177.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -88.95 156.15 19.07 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 119.816 -0.754 . . . . 60.85 110.167 174.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.14 -50.6 73.41 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-N 115.272 -0.876 . . . . 29.29 111.587 -176.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -60.89 -32.3 71.77 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 122.043 -0.411 . . . . 64.07 111.737 179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' THR . . . . . . . . . . . . . 62.1 m -68.67 -37.75 79.86 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.416 -0.914 . . . . 28.59 110.832 174.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -61.59 -44.83 96.28 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.532 -0.867 . . . . 25.61 110.852 177.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -61.27 -42.64 98.99 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.441 -0.504 . . . . 43.77 111.871 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -66.16 -33.86 76.73 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.401 -0.919 . . . . 27.42 111.936 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -68.77 -42.36 77.57 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 119.889 -0.725 . . . . 28.69 111.314 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.46 -40.34 88.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 C-N-CA 120.066 -0.653 . . . . 25.73 110.53 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -62.08 -46.66 88.13 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.325 -0.55 . . . . 58.78 110.709 176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -56.53 -53.41 57.88 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.225 -0.443 . . . . 60.86 111.454 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' MET . . . . . . . . . . . . . 27.2 mmt -60.6 -32.49 71.61 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 122.004 -0.435 . . . . 29.21 112.057 -179.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' LEU . . . . . . . . . . . . . 50.2 tp -75.8 -40.86 54.34 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 119.074 -1.05 . . . . 28.73 111.003 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.96 -44.29 86.96 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.564 0.221 . . . . 39.32 111.454 175.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -75.47 0.95 15.38 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 123.483 0.713 . . . . 76.1 112.889 177.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' ARG . . . . . . . . . . . . . 78.4 mtt85 64.12 18.32 11.18 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.512 1.125 . . . . 29.83 113.063 175.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' VAL . . . . . . . . . . . . . 73.0 t -66.41 -38.25 81.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-O 120.914 0.387 . . . . 27.02 110.522 165.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -98.8 151.62 20.6 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 121.57 -0.706 . . . . 26.76 110.574 169.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.24 168.04 11.36 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.4 -0.963 . . . . 37.44 108.4 158.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -67.66 -26.28 66.13 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 117.799 -1.56 . . . . 47.19 111.737 -172.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . -57.87 -50.29 67.06 Favored Glycine 0 C--N 1.336 0.541 0 C-N-CA 120.181 -1.009 . . . . 39.33 112.735 170.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.87 -42.19 97.59 Favored 'General case' 0 C--O 1.236 0.387 0 O-C-N 122.117 -0.637 . . . . 46.06 111.76 -175.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.71 -33.16 73.53 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 120.486 -0.486 . . . . 45.36 111.57 176.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.52 -43.22 77.22 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.74 -0.384 . . . . 31.35 111.43 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.8 -48.39 79.32 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-O 121.183 0.516 . . . . 77.65 111.102 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' ILE . . . . . . . . . . . . . 57.7 mt -52.56 -44.98 46.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.859 0.361 . . . . 32.4 110.335 -179.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.03 -21.52 59.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.542 0.941 . . . . 35.59 113.542 -174.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.77 136.55 32.94 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.776 0.716 . . . . 72.06 111.593 -175.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -146.59 59.71 1.21 Allowed 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.126 0.965 . . . . 62.17 108.546 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -63.52 -25.57 68.31 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.689 -0.687 . . . . 51.03 111.871 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -67.86 -48.12 67.0 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 117.858 0.299 . . . . 67.94 111.701 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' ILE . . . . . . . . . . . . . 8.8 mm -59.79 -44.85 94.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.454 -0.499 . . . . 44.2 109.76 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -56.33 -48.47 76.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.537 -0.301 . . . . 24.73 111.785 -176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.3 83.43 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 119.534 -0.866 . . . . 25.29 111.384 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -64.74 -39.48 93.71 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.112 -0.635 . . . . 53.69 111.374 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.66 -46.21 96.19 Favored 'Isoleucine or valine' 0 C--O 1.241 0.621 0 C-N-CA 119.706 -0.798 . . . . 23.72 110.184 174.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.0 99.33 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 111.941 0.348 . . . . 22.03 111.941 -177.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 58' ' ' ARG . . . . . . . . . . . . . 56.4 mtt85 -57.04 -51.57 68.75 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.17 -0.612 . . . . 31.67 111.391 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.02 -34.3 78.09 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.522 -0.471 . . . . 23.04 111.156 -176.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 60' ' ' LEU . . . . . . . . . . . . . 24.0 tp -67.27 -51.88 47.55 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.8 -0.36 . . . . 28.15 111.601 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 61' ' ' ILE . . . . . . . . . . . . . 14.3 tt -73.0 -33.15 42.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 C-N-CA 118.74 -1.184 . . . . 26.37 111.028 -172.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 62' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -64.81 -32.67 74.47 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 121.804 -0.56 . . . . 49.06 112.123 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 63' ' ' SER . . . . . . . . . . . . . 24.7 m -72.03 -39.15 69.34 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.793 -0.567 . . . . 35.81 111.476 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.09 -41.44 84.31 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-O 121.047 0.451 . . . . 28.19 110.262 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 65' ' ' THR . . . . . . . . . . . . . 53.1 m -66.98 -31.67 72.39 Favored 'General case' 0 CA--C 1.514 -0.409 0 C-N-CA 119.818 -0.753 . . . . 36.93 110.372 -175.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 66' ' ' LYS . . . . . . . . . . . . . 46.3 tttt -63.23 -28.43 70.03 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.928 -0.309 . . . . 47.94 111.591 -178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 67' ' ' LYS . . . . . 0.661 ' NZ ' ' O ' ' C' ' 37' ' ' VAL . 17.8 mttt -87.24 -1.53 57.97 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 114.398 1.258 . . . . 44.57 114.398 -174.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.81 -159.98 27.18 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-O 123.05 1.361 . . . . 39.73 114.244 173.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 69' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -76.71 -41.24 45.94 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.036 -1.082 . . . . 43.14 113.226 -159.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 70' ' ' VAL . . . . . . . . . . . . . 41.3 t -68.13 -40.56 83.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 C-N-CA 118.507 -1.277 . . . . 30.34 110.019 -176.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -46.78 87.17 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 120.63 0.252 . . . . 20.99 110.787 175.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 72' ' ' CYS . . . . . . . . . . . . . 68.0 m -61.47 -35.82 78.72 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.748 -0.381 . . . . 33.91 111.031 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 73' ' ' SER . . . . . . . . . . . . . 58.9 m -69.51 -39.52 77.5 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 120.516 0.198 . . . . 33.3 111.471 -179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -66.41 -40.86 89.84 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.741 0.305 . . . . 23.5 110.741 171.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 75' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -65.56 -39.14 91.36 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 116.49 -0.323 . . . . 30.13 110.862 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -36.83 74.72 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 119.041 -1.064 . . . . 25.51 110.62 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 77' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.62 99.76 Favored Glycine 0 C--N 1.335 0.493 0 C-N-CA 119.745 -1.217 . . . . 26.03 112.008 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.62 75.49 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 120.341 -0.543 . . . . 23.44 112.165 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 79' ' ' ILE . . . . . . . . . . . . . 65.4 mt -65.1 -48.73 82.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 120.164 -0.614 . . . . 25.33 109.953 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.85 -34.59 69.89 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.414 0.524 . . . . 29.65 112.414 -178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -71.3 -32.55 68.77 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 111.983 0.364 . . . . 60.28 111.983 172.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 82' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.8 -44.23 15.76 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 113.818 1.044 . . . . 34.53 113.818 -172.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 83' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -153.6 111.96 3.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 108.811 -0.811 . . . . 65.85 108.811 -172.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 84' ' ' VAL . . . . . . . . . . . . . 2.2 p -71.9 -30.54 37.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 O-C-N 123.64 0.588 . . . . 34.66 110.784 -174.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 85' ' ' VAL . . . . . . . . . . . . . 92.5 t -63.21 -45.43 98.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 121.487 0.66 . . . . 32.82 109.809 176.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 86' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.93 -39.73 94.82 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.38 -0.373 . . . . 34.39 111.049 179.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.08 -46.3 88.07 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.742 0.306 . . . . 28.87 111.462 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 88' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -60.64 -42.92 97.89 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.726 -0.79 . . . . 55.19 111.465 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.95 -21.55 61.58 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.06 0.763 . . . . 30.49 113.06 -174.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 90' ' ' MET . . . . . . . . . . . . . 76.7 mtp -96.01 -1.52 48.78 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.993 0.738 . . . . 39.34 112.993 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 91' ' ' GLY . . . . . . . . . . . . . . . 75.1 24.68 70.86 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 119.755 -1.212 . . . . 38.09 114.848 -175.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 92' ' ' ILE . . . . . . . . . . . . . 43.0 mt -89.07 137.45 21.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 118.639 1.22 . . . . 37.64 108.547 168.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 93' ' ' SER . . . . . . . . . . . . . 93.9 p . . . . . 0 C--N 1.324 -0.535 0 C-N-CA 118.964 -1.095 . . . . 67.24 110.612 175.096 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_