data_6lvu_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 6lvu _Structure_validation_residue.Date_analyzed 2020-04-17 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 ' 3' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.126 -0.694 . . . . 29.46 109.126 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -60.94 -44.13 97.67 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 118.777 -1.169 . . . . 24.0 110.92 173.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.41 -36.2 81.61 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.771 -0.372 . . . . 23.34 110.387 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -66.35 -50.84 62.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.854 0.359 . . . . 38.09 110.97 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.12 -47.41 93.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.156 0.503 . . . . 19.81 110.078 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.63 -39.41 94.29 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.362 -0.535 . . . . 29.79 112.067 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.82 -45.81 91.19 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.893 -0.723 . . . . 21.45 111.39 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -70.55 -37.57 74.05 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 122.012 -0.43 . . . . 21.92 111.655 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.14 -37.7 78.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 119.543 -0.863 . . . . 16.25 109.549 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -71.59 -38.73 70.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.58 -0.448 . . . . 36.37 110.882 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -65.44 -46.88 78.17 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.686 -0.406 . . . . 21.01 110.804 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.83 -44.36 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.154 -0.619 . . . . 18.26 110.322 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.2 mt -62.84 -44.73 99.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 119.596 -0.842 . . . . 20.93 109.82 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -62.89 -41.94 99.59 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.542 -0.299 . . . . 27.23 111.159 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.01 -42.71 97.05 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.444 -0.902 . . . . 26.85 111.161 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -92.02 -35.07 14.16 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.566 0.95 . . . . 43.11 113.566 -170.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 mp -83.47 -16.14 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 119.03 0.832 . . . . 28.59 112.782 176.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 4.34 90.21 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.579 -0.82 . . . . 43.86 114.203 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 m -86.56 162.55 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.313 -0.995 . . . . 27.27 108.313 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.45 148.16 29.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.581 -0.736 . . . . 54.13 109.692 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.8 -25.54 68.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.686 -0.805 . . . . 42.13 112.391 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 p -62.17 -21.31 64.98 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.26 0.467 . . . . 31.18 112.26 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -87.11 -12.01 48.39 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 113.581 0.956 . . . . 35.37 113.581 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.12 99.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.467 -1.308 . . . . 26.41 107.467 -172.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -118.35 167.59 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.007 -0.738 . . . . 24.9 109.007 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.02 -32.83 62.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.557 -0.747 . . . . 36.03 112.482 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -89.61 -6.96 55.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.807 1.04 . . . . 43.14 113.807 -173.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.84 129.87 40.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.35 0.523 . . . . 27.72 110.591 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -82.51 133.04 35.19 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.066 -1.087 . . . . 42.2 108.066 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.15 -53.24 58.41 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.702 -0.799 . . . . 30.52 110.644 -176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.33 -60.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.218 0.533 . . . . 33.28 110.398 -176.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.57 -39.59 91.82 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.236 -0.586 . . . . 44.12 112.044 -166.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -96.83 -46.31 6.3 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 112.578 0.585 . . . . 36.31 112.578 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.17 2.5 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.303 0.853 . . . . 26.27 113.303 -172.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.0 11.74 85.09 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 116.075 1.19 . . . . 31.16 116.075 170.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.55 171.71 12.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.662 1.231 . . . . 27.47 109.948 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . 0.703 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 1.9 p30 -116.55 173.09 6.8 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.009 -1.108 . . . . 33.69 108.009 174.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -70.35 -2.66 14.26 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.051 -1.06 . . . . 46.53 113.507 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.69 -26.62 15.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.889 0.768 . . . . 36.09 112.469 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.77 -25.34 66.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.083 0.401 . . . . 33.78 112.083 -172.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -73.36 -31.16 63.78 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.215 -1.394 . . . . 46.78 111.802 -167.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -70.76 -36.16 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 118.409 -1.316 . . . . 39.85 111.245 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.77 -43.57 88.47 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 118.997 -1.081 . . . . 39.2 111.404 171.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.49 -47.01 80.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.241 -0.584 . . . . 26.27 110.647 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.2 t -61.87 -42.29 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 O-C-N 122.042 -0.411 . . . . 35.43 111.309 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 mtm -63.75 -34.18 77.3 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 118.322 -1.351 . . . . 53.01 111.206 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -68.29 -41.21 81.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.344 -0.942 . . . . 37.43 110.704 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.4 -38.09 89.8 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.923 -0.311 . . . . 23.52 111.661 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' OE2' ' NZ ' ' A' ' 57' ' ' LYS . 47.7 mt-10 -58.62 -45.03 90.09 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.551 -0.459 . . . . 44.1 111.201 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -76.15 -26.94 56.77 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 111.808 0.299 . . . . 40.0 111.808 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -68.87 -44.18 73.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.457 -0.497 . . . . 25.98 111.851 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -108.32 -3.89 17.95 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.306 -0.871 . . . . 30.23 112.987 -172.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.05 42.55 84.44 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.413 -0.899 . . . . 33.87 112.804 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.55 173.88 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 105.999 -1.852 . . . . 35.68 105.999 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' NZ ' ' OE2' ' A' ' 51' ' ' GLU . 5.4 mtpp -145.45 162.04 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 117.858 -1.537 . . . . 49.3 109.959 168.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.12 156.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 106.6 -1.63 . . . . 49.93 106.6 -167.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -82.59 148.61 27.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.096 -0.956 . . . . 63.81 108.938 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.92 -28.01 66.27 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 118.915 -1.114 . . . . 67.67 110.957 171.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.33 83.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.979 -0.288 . . . . 51.16 111.355 175.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -82.47 -1.64 50.89 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 112.931 0.715 . . . . 52.95 112.931 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.4 tt -77.22 -30.08 54.48 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.641 0.608 . . . . 52.09 112.641 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.4 -15.48 62.85 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.578 -0.449 . . . . 68.41 111.871 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -90.43 -15.01 31.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.661 . . . . 44.22 112.786 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.43 111.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 108.574 -0.899 . . . . 33.31 108.574 -174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -113.41 -36.52 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.304 0.853 . . . . 35.31 113.304 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.0 p -121.17 170.62 9.39 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.938 0.875 . . . . 21.72 111.073 -175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -42.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 114.736 -1.12 . . . . 24.02 110.268 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.77 -32.06 73.33 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.657 -0.783 . . . . 17.93 113.17 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.57 -45.14 95.4 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 117.296 0.548 . . . . 19.8 111.019 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.82 -50.89 78.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.456 0.646 . . . . 22.48 110.449 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.71 -48.53 80.7 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 119.692 -0.803 . . . . 17.39 110.174 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 m -64.43 -39.06 93.12 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 119.839 -0.745 . . . . 19.59 111.408 -177.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TYR . . . . . 0.726 ' CE2' ' CE ' ' A' ' 79' ' ' LYS . 24.7 t80 -62.69 -42.66 99.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 118.4 -1.32 . . . . 44.07 110.789 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.96 98.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 C-N-CA 120.253 -0.579 . . . . 24.24 110.667 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -62.97 -34.24 77.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.477 -0.489 . . . . 29.59 111.752 -175.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -73.46 -32.73 64.5 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.518 -0.873 . . . . 62.23 111.917 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . 0.726 ' CE ' ' CE2' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -74.08 -8.95 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.943 -1.103 . . . . 44.71 112.725 177.532 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 118.542 0.61 . . . . 44.91 111.312 175.778 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 32.77 110.946 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -57.41 -40.25 77.9 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.287 -0.965 . . . . 22.31 110.802 175.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.63 -38.26 87.02 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.028 -0.669 . . . . 25.71 111.401 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -66.2 -49.44 67.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.014 0.435 . . . . 39.87 111.206 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 91.1 mt -61.58 -47.8 91.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.329 0.585 . . . . 17.64 110.287 -177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -64.46 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.205 -0.598 . . . . 28.69 111.386 -177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.2 t -60.18 -47.66 85.0 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.585 -0.846 . . . . 22.53 111.502 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -70.22 -38.95 75.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.067 -0.396 . . . . 24.77 111.446 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.43 -37.79 75.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.237 0.541 . . . . 13.99 110.01 174.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . 0.848 ' NZ ' ' O ' ' B' ' 201' ' ' HOH . 5.2 ttpp -71.11 -36.54 72.2 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 119.851 -0.74 . . . . 34.66 111.177 -175.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -66.1 -47.41 74.28 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.834 -0.346 . . . . 19.4 111.274 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.38 -44.99 93.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 119.636 -0.826 . . . . 22.31 110.26 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 42.5 mt -61.92 -43.72 97.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 119.864 -0.735 . . . . 19.32 110.092 -178.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -63.52 -41.89 98.47 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.123 -0.361 . . . . 23.89 110.811 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.9 -41.26 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 122.066 -0.396 . . . . 26.95 111.812 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -93.55 -36.04 12.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.163 0.801 . . . . 37.65 113.163 -170.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -84.4 -16.6 42.14 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.791 0.723 . . . . 29.34 112.766 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.26 5.27 89.05 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.412 -0.899 . . . . 39.98 114.967 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 m -87.89 161.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 118.759 1.28 . . . . 26.25 109.625 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -78.26 147.45 34.35 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.983 -1.008 . . . . 52.5 108.569 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.74 -24.24 67.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.768 -0.651 . . . . 44.22 112.204 -175.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -60.87 -24.1 65.67 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.93 0.715 . . . . 28.37 112.93 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -85.73 -13.23 48.99 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.025 0.75 . . . . 37.45 113.025 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.4 t -95.6 98.57 8.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.856 -1.535 . . . . 27.55 106.856 -172.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -119.87 166.98 12.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.377 -0.971 . . . . 22.95 108.377 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.96 -30.47 59.02 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.182 -0.917 . . . . 31.49 112.727 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -89.75 -8.2 52.77 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.834 0.679 . . . . 37.58 112.834 -175.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 129.78 41.0 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.281 0.474 . . . . 22.9 112.281 -172.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -75.4 129.47 37.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.899 -0.591 . . . . 48.6 110.301 170.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.79 -55.56 32.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 119.148 -1.021 . . . . 29.05 110.214 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.39 -60.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 119.588 -0.845 . . . . 30.67 110.321 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 -37.64 84.77 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.768 -0.373 . . . . 55.12 111.819 -166.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.15 -47.32 6.11 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.944 0.72 . . . . 35.58 112.944 -175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -95.97 1.8 53.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.267 0.84 . . . . 28.72 113.267 -171.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.38 10.82 85.57 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 116.917 1.527 . . . . 28.7 116.917 171.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.06 172.01 12.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.082 1.441 . . . . 29.82 110.869 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.63 173.39 6.88 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.89 -0.781 . . . . 36.36 108.89 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -68.19 -4.98 15.71 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.129 0.788 . . . . 56.88 113.129 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.13 -27.09 15.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.587 0.631 . . . . 39.47 112.514 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.88 -27.62 68.35 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.879 -0.728 . . . . 30.88 111.942 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -72.22 -30.89 65.35 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.517 -1.273 . . . . 42.24 112.263 -168.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -68.8 -37.97 78.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 117.934 -1.506 . . . . 38.11 110.815 -178.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.58 -44.94 80.87 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 119.511 -0.876 . . . . 35.86 111.874 173.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.76 -45.32 78.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.263 0.554 . . . . 27.23 109.956 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.87 -42.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.873 -0.603 . . . . 32.32 110.912 -179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 4.2 mtm -64.47 -34.52 78.41 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.806 -1.158 . . . . 55.75 111.658 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -69.31 -40.02 77.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 118.888 -1.125 . . . . 33.35 111.266 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.34 -38.95 91.48 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 120.094 -0.642 . . . . 24.42 111.056 172.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -57.03 -45.49 83.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.558 -0.457 . . . . 46.18 111.137 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -75.83 -27.81 58.02 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.217 0.451 . . . . 42.22 112.217 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.03 -43.19 79.32 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.431 -0.508 . . . . 25.74 111.381 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -108.32 -5.08 16.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 114.173 1.175 . . . . 31.83 114.173 -171.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.87 42.49 78.35 Favored Glycine 0 C--O 1.24 0.508 0 C-N-CA 120.147 -1.025 . . . . 34.96 112.25 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.92 174.73 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 N-CA-C 107.068 -1.456 . . . . 34.91 107.068 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -146.0 160.8 41.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.43 -1.708 . . . . 51.65 111.177 167.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 m -122.75 155.09 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.068 -1.424 . . . . 48.59 107.188 -167.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -82.11 150.95 27.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.613 -0.721 . . . . 70.24 109.647 175.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.71 -31.29 69.21 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.694 -1.203 . . . . 65.54 111.04 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.33 87.65 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.927 -0.309 . . . . 56.35 111.56 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -82.13 -0.39 44.6 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.783 0.66 . . . . 55.68 112.783 -176.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -77.36 -27.9 52.8 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 117.878 0.308 . . . . 47.4 111.232 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.01 -16.63 63.2 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.104 0.409 . . . . 70.19 112.104 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -90.3 -12.0 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.582 0.586 . . . . 40.24 112.582 -179.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.78 110.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.694 -0.854 . . . . 35.58 108.694 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 45.9 t -113.46 -34.91 5.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.909 1.077 . . . . 35.62 113.909 -177.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -123.29 171.42 9.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.013 0.911 . . . . 23.15 110.444 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.77 -41.22 84.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 114.456 -1.247 . . . . 21.51 110.236 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.28 -31.19 72.89 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.138 -0.554 . . . . 22.78 113.263 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -62.38 -44.6 96.07 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.39 0.595 . . . . 22.12 111.431 176.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.34 -50.97 78.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.225 0.536 . . . . 16.87 110.565 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.84 -47.42 82.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.276 0.56 . . . . 16.5 109.975 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -65.19 -39.9 93.48 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.597 -0.441 . . . . 18.88 111.609 -176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -63.29 -43.35 98.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.454 -0.898 . . . . 47.04 110.547 176.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.85 -43.88 99.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.1 0.476 . . . . 20.1 110.744 176.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.77 -34.9 78.93 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.286 -0.566 . . . . 29.09 111.803 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -72.87 -32.18 65.24 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.672 -0.811 . . . . 48.32 111.299 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -75.33 -5.36 44.37 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 112.795 0.665 . . . . 37.86 112.795 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.234 0.285 0 CA-C-N 119.128 0.876 . . . . 40.54 109.713 179.698 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.703 ' O ' ' OD2' ' A' ' 39' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . 0.848 ' O ' ' NZ ' ' B' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.126 -0.694 . . . . 29.46 109.126 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -60.94 -44.13 97.67 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 118.777 -1.169 . . . . 24.0 110.92 173.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.41 -36.2 81.61 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.771 -0.372 . . . . 23.34 110.387 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -66.35 -50.84 62.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.854 0.359 . . . . 38.09 110.97 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.12 -47.41 93.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.156 0.503 . . . . 19.81 110.078 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.63 -39.41 94.29 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.362 -0.535 . . . . 29.79 112.067 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.82 -45.81 91.19 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.893 -0.723 . . . . 21.45 111.39 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -70.55 -37.57 74.05 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 122.012 -0.43 . . . . 21.92 111.655 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.14 -37.7 78.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 119.543 -0.863 . . . . 16.25 109.549 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -71.59 -38.73 70.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.58 -0.448 . . . . 36.37 110.882 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -65.44 -46.88 78.17 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.686 -0.406 . . . . 21.01 110.804 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.83 -44.36 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.154 -0.619 . . . . 18.26 110.322 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 19' ' ' LEU . 35.2 mt -62.84 -44.73 99.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 119.596 -0.842 . . . . 20.93 109.82 -178.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -62.89 -41.94 99.59 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.542 -0.299 . . . . 27.23 111.159 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.01 -42.71 97.05 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.444 -0.902 . . . . 26.85 111.161 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -92.02 -35.07 14.16 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.566 0.95 . . . . 43.11 113.566 -170.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 15' ' ' ILE . 5.9 mp -83.47 -16.14 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 119.03 0.832 . . . . 28.59 112.782 176.207 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 4.34 90.21 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.579 -0.82 . . . . 43.86 114.203 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 m -86.56 162.55 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.313 -0.995 . . . . 27.27 108.313 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.45 148.16 29.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.581 -0.736 . . . . 54.13 109.692 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.8 -25.54 68.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.686 -0.805 . . . . 42.13 112.391 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 p -62.17 -21.31 64.98 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.26 0.467 . . . . 31.18 112.26 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -87.11 -12.01 48.39 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 113.581 0.956 . . . . 35.37 113.581 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.12 99.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.467 -1.308 . . . . 26.41 107.467 -172.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -118.35 167.59 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.007 -0.738 . . . . 24.9 109.007 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.02 -32.83 62.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.557 -0.747 . . . . 36.03 112.482 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -89.61 -6.96 55.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.807 1.04 . . . . 43.14 113.807 -173.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.84 129.87 40.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.35 0.523 . . . . 27.72 110.591 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -82.51 133.04 35.19 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.066 -1.087 . . . . 42.2 108.066 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.15 -53.24 58.41 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.702 -0.799 . . . . 30.52 110.644 -176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.33 -60.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.218 0.533 . . . . 33.28 110.398 -176.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.57 -39.59 91.82 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.236 -0.586 . . . . 44.12 112.044 -166.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -96.83 -46.31 6.3 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 112.578 0.585 . . . . 36.31 112.578 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.17 2.5 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.303 0.853 . . . . 26.27 113.303 -172.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.0 11.74 85.09 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 116.075 1.19 . . . . 31.16 116.075 170.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.55 171.71 12.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.662 1.231 . . . . 27.47 109.948 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . 0.703 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 1.9 p30 -116.55 173.09 6.8 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.009 -1.108 . . . . 33.69 108.009 174.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -70.35 -2.66 14.26 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.051 -1.06 . . . . 46.53 113.507 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.69 -26.62 15.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.889 0.768 . . . . 36.09 112.469 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.77 -25.34 66.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.083 0.401 . . . . 33.78 112.083 -172.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 63' ' ' LEU . 3.4 tm? -73.36 -31.16 63.78 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.215 -1.394 . . . . 46.78 111.802 -167.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -70.76 -36.16 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 118.409 -1.316 . . . . 39.85 111.245 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.77 -43.57 88.47 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 118.997 -1.081 . . . . 39.2 111.404 171.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.49 -47.01 80.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.241 -0.584 . . . . 26.27 110.647 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 58' ' ' VAL . 3.2 t -61.87 -42.29 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 O-C-N 122.042 -0.411 . . . . 35.43 111.309 -177.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 mtm -63.75 -34.18 77.3 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 118.322 -1.351 . . . . 53.01 111.206 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -68.29 -41.21 81.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.344 -0.942 . . . . 37.43 110.704 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.4 -38.09 89.8 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.923 -0.311 . . . . 23.52 111.661 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.81 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 47.7 mt-10 -58.62 -45.03 90.09 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.551 -0.459 . . . . 44.1 111.201 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -76.15 -26.94 56.77 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 111.808 0.299 . . . . 40.0 111.808 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -68.87 -44.18 73.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.457 -0.497 . . . . 25.98 111.851 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -108.32 -3.89 17.95 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.306 -0.871 . . . . 30.23 112.987 -172.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.05 42.55 84.44 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.413 -0.899 . . . . 33.87 112.804 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.55 173.88 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 105.999 -1.852 . . . . 35.68 105.999 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . 0.81 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 5.4 mtpp -145.45 162.04 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 117.858 -1.537 . . . . 49.3 109.959 168.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 47' ' ' VAL . 4.8 m -122.12 156.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 106.6 -1.63 . . . . 49.93 106.6 -167.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -82.59 148.61 27.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.096 -0.956 . . . . 63.81 108.938 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.92 -28.01 66.27 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 118.915 -1.114 . . . . 67.67 110.957 171.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.33 83.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.979 -0.288 . . . . 51.16 111.355 175.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -82.47 -1.64 50.89 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 112.931 0.715 . . . . 52.95 112.931 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 43' ' ' LEU . 6.4 tt -77.22 -30.08 54.48 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.641 0.608 . . . . 52.09 112.641 178.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.4 -15.48 62.85 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.578 -0.449 . . . . 68.41 111.871 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -90.43 -15.01 31.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.661 . . . . 44.22 112.786 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.43 111.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 108.574 -0.899 . . . . 33.31 108.574 -174.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -113.41 -36.52 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.304 0.853 . . . . 35.31 113.304 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.0 p -121.17 170.62 9.39 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.938 0.875 . . . . 21.72 111.073 -175.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -42.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 114.736 -1.12 . . . . 24.02 110.268 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.77 -32.06 73.33 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.657 -0.783 . . . . 17.93 113.17 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.57 -45.14 95.4 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 117.296 0.548 . . . . 19.8 111.019 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.82 -50.89 78.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.456 0.646 . . . . 22.48 110.449 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.71 -48.53 80.7 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 119.692 -0.803 . . . . 17.39 110.174 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 m -64.43 -39.06 93.12 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 119.839 -0.745 . . . . 19.59 111.408 -177.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TYR . . . . . 0.747 ' CZ ' ' HE2' ' A' ' 79' ' ' LYS . 24.7 t80 -62.69 -42.66 99.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 118.4 -1.32 . . . . 44.07 110.789 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.96 98.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 C-N-CA 120.253 -0.579 . . . . 24.24 110.667 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -62.97 -34.24 77.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.477 -0.489 . . . . 29.59 111.752 -175.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -73.46 -32.73 64.5 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.518 -0.873 . . . . 62.23 111.917 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . 0.747 ' HE2' ' CZ ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -74.08 -8.95 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.943 -1.103 . . . . 44.71 112.725 177.532 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 118.542 0.61 . . . . 44.91 111.312 175.778 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 32.77 110.946 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 4' ' ' ARG . 6.6 ttt180 -57.41 -40.25 77.9 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.287 -0.965 . . . . 22.31 110.802 175.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.63 -38.26 87.02 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.028 -0.669 . . . . 25.71 111.401 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -66.2 -49.44 67.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.014 0.435 . . . . 39.87 111.206 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . 0.485 HD11 HD11 ' B' ' 80' ' ' LEU . 91.1 mt -61.58 -47.8 91.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.329 0.585 . . . . 17.64 110.287 -177.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -64.46 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.205 -0.598 . . . . 28.69 111.386 -177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.2 t -60.18 -47.66 85.0 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.585 -0.846 . . . . 22.53 111.502 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -70.22 -38.95 75.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.067 -0.396 . . . . 24.77 111.446 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.43 -37.79 75.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.237 0.541 . . . . 13.99 110.01 174.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . 0.848 ' NZ ' ' O ' ' B' ' 201' ' ' HOH . 5.2 ttpp -71.11 -36.54 72.2 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 119.851 -0.74 . . . . 34.66 111.177 -175.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -66.1 -47.41 74.28 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.834 -0.346 . . . . 19.4 111.274 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.38 -44.99 93.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 119.636 -0.826 . . . . 22.31 110.26 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ILE . . . . . 0.607 HG23 HD22 ' B' ' 19' ' ' LEU . 42.5 mt -61.92 -43.72 97.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 119.864 -0.735 . . . . 19.32 110.092 -178.65 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -63.52 -41.89 98.47 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.123 -0.361 . . . . 23.89 110.811 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.9 -41.26 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 122.066 -0.396 . . . . 26.95 111.812 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -93.55 -36.04 12.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.163 0.801 . . . . 37.65 113.163 -170.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . 0.607 HD22 HG23 ' B' ' 15' ' ' ILE . 6.2 mp -84.4 -16.6 42.14 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.791 0.723 . . . . 29.34 112.766 175.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.26 5.27 89.05 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.412 -0.899 . . . . 39.98 114.967 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 m -87.89 161.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 118.759 1.28 . . . . 26.25 109.625 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -78.26 147.45 34.35 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.983 -1.008 . . . . 52.5 108.569 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.74 -24.24 67.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.768 -0.651 . . . . 44.22 112.204 -175.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -60.87 -24.1 65.67 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.93 0.715 . . . . 28.37 112.93 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -85.73 -13.23 48.99 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.025 0.75 . . . . 37.45 113.025 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.4 t -95.6 98.57 8.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.856 -1.535 . . . . 27.55 106.856 -172.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -119.87 166.98 12.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.377 -0.971 . . . . 22.95 108.377 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.96 -30.47 59.02 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.182 -0.917 . . . . 31.49 112.727 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -89.75 -8.2 52.77 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.834 0.679 . . . . 37.58 112.834 -175.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 129.78 41.0 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.281 0.474 . . . . 22.9 112.281 -172.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -75.4 129.47 37.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.899 -0.591 . . . . 48.6 110.301 170.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.79 -55.56 32.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 119.148 -1.021 . . . . 29.05 110.214 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.39 -60.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 119.588 -0.845 . . . . 30.67 110.321 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 -37.64 84.77 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.768 -0.373 . . . . 55.12 111.819 -166.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.15 -47.32 6.11 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.944 0.72 . . . . 35.58 112.944 -175.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -95.97 1.8 53.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.267 0.84 . . . . 28.72 113.267 -171.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.38 10.82 85.57 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 116.917 1.527 . . . . 28.7 116.917 171.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.06 172.01 12.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.082 1.441 . . . . 29.82 110.869 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.63 173.39 6.88 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.89 -0.781 . . . . 36.36 108.89 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -68.19 -4.98 15.71 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.129 0.788 . . . . 56.88 113.129 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.13 -27.09 15.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.587 0.631 . . . . 39.47 112.514 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.88 -27.62 68.35 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.879 -0.728 . . . . 30.88 111.942 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -72.22 -30.89 65.35 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.517 -1.273 . . . . 42.24 112.263 -168.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -68.8 -37.97 78.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 117.934 -1.506 . . . . 38.11 110.815 -178.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.58 -44.94 80.87 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 119.511 -0.876 . . . . 35.86 111.874 173.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.76 -45.32 78.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.263 0.554 . . . . 27.23 109.956 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . 0.493 HG11 HG21 ' B' ' 58' ' ' VAL . 3.9 t -60.87 -42.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.873 -0.603 . . . . 32.32 110.912 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 4.2 mtm -64.47 -34.52 78.41 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.806 -1.158 . . . . 55.75 111.658 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -69.31 -40.02 77.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 118.888 -1.125 . . . . 33.35 111.266 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.34 -38.95 91.48 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 120.094 -0.642 . . . . 24.42 111.056 172.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . 0.723 ' HG2' ' HA ' ' B' ' 57' ' ' LYS . 30.7 mt-10 -57.03 -45.49 83.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.558 -0.457 . . . . 46.18 111.137 177.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -75.83 -27.81 58.02 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.217 0.451 . . . . 42.22 112.217 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.03 -43.19 79.32 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.431 -0.508 . . . . 25.74 111.381 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -108.32 -5.08 16.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 114.173 1.175 . . . . 31.83 114.173 -171.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.87 42.49 78.35 Favored Glycine 0 C--O 1.24 0.508 0 C-N-CA 120.147 -1.025 . . . . 34.96 112.25 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.92 174.73 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 N-CA-C 107.068 -1.456 . . . . 34.91 107.068 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LYS . . . . . 0.723 ' HA ' ' HG2' ' B' ' 51' ' ' GLU . 5.8 ptpt -146.0 160.8 41.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.43 -1.708 . . . . 51.65 111.177 167.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' VAL . . . . . 0.493 HG21 HG11 ' B' ' 47' ' ' VAL . 10.9 m -122.75 155.09 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.068 -1.424 . . . . 48.59 107.188 -167.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -82.11 150.95 27.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.613 -0.721 . . . . 70.24 109.647 175.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.71 -31.29 69.21 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.694 -1.203 . . . . 65.54 111.04 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.33 87.65 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.927 -0.309 . . . . 56.35 111.56 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -82.13 -0.39 44.6 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.783 0.66 . . . . 55.68 112.783 -176.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -77.36 -27.9 52.8 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 117.878 0.308 . . . . 47.4 111.232 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.01 -16.63 63.2 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.104 0.409 . . . . 70.19 112.104 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -90.3 -12.0 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.582 0.586 . . . . 40.24 112.582 -179.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.78 110.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.694 -0.854 . . . . 35.58 108.694 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 45.9 t -113.46 -34.91 5.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.909 1.077 . . . . 35.62 113.909 -177.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -123.29 171.42 9.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.013 0.911 . . . . 23.15 110.444 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.77 -41.22 84.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 114.456 -1.247 . . . . 21.51 110.236 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.28 -31.19 72.89 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.138 -0.554 . . . . 22.78 113.263 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -62.38 -44.6 96.07 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.39 0.595 . . . . 22.12 111.431 176.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.34 -50.97 78.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.225 0.536 . . . . 16.87 110.565 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.84 -47.42 82.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.276 0.56 . . . . 16.5 109.975 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -65.19 -39.9 93.48 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.597 -0.441 . . . . 18.88 111.609 -176.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' B' ' 58' ' ' VAL . 26.7 t80 -63.29 -43.35 98.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.454 -0.898 . . . . 47.04 110.547 176.729 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.85 -43.88 99.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.1 0.476 . . . . 20.1 110.744 176.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.77 -34.9 78.93 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.286 -0.566 . . . . 29.09 111.803 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -72.87 -32.18 65.24 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.672 -0.811 . . . . 48.32 111.299 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -75.33 -5.36 44.37 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 112.795 0.665 . . . . 37.86 112.795 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LEU . . . . . 0.485 HD11 HD11 ' B' ' 7' ' ' ILE . 4.4 pp . . . . . 0 C--O 1.234 0.285 0 CA-C-N 119.128 0.876 . . . . 40.54 109.713 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.703 ' O ' ' OD2' ' A' ' 39' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . 0.848 ' O ' ' NZ ' ' B' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 p . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.126 -0.694 . . . . 29.460000000000001 109.126 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -60.94 -44.13 97.67 Favored 'General case' 0 C--O 1.238 0.491 0 C-N-CA 118.777 -1.169 . . . . 24.0 110.92 173.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.41 -36.2 81.61 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.771 -0.372 . . . . 23.34 110.387 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -66.35 -50.84 62.17 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.854 0.359 . . . . 38.090000000000003 110.97 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 90.9 mt -61.12 -47.41 93.69 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.156 0.503 . . . . 19.809999999999999 110.078 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.63 -39.41 94.29 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.362 -0.535 . . . . 29.789999999999999 112.067 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -59.82 -45.81 91.19 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.893 -0.723 . . . . 21.449999999999999 111.39 177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -70.55 -37.57 74.05 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 122.012 -0.43 . . . . 21.920000000000002 111.655 -179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 t -61.14 -37.7 78.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 119.543 -0.863 . . . . 16.25 109.549 176.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -71.59 -38.73 70.84 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.58 -0.448 . . . . 36.369999999999997 110.882 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.6 m -65.44 -46.88 78.17 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.686 -0.406 . . . . 21.010000000000002 110.804 178.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.9 mt -59.83 -44.36 93.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.154 -0.619 . . . . 18.260000000000002 110.322 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG23 HD22 ' A' ' 19' ' ' LEU . 35.2 mt -62.84 -44.73 99.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.584 0 C-N-CA 119.596 -0.842 . . . . 20.93 109.82 -178.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -62.89 -41.94 99.59 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 116.542 -0.299 . . . . 27.23 111.159 179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -64.01 -42.71 97.05 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 119.444 -0.902 . . . . 26.850000000000001 111.161 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mttp -92.02 -35.07 14.16 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 113.566 0.95 . . . . 43.109999999999999 113.566 -170.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD22 HG23 ' A' ' 15' ' ' ILE . 5.9 mp -83.47 -16.14 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 119.03 0.832 . . . . 28.59 112.782 176.207 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 4.34 90.21 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.579 -0.82 . . . . 43.859999999999999 114.203 176.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.2 m -86.56 162.55 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.717 0 N-CA-C 108.313 -0.995 . . . . 27.27 108.313 179.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -81.45 148.16 29.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.581 -0.736 . . . . 54.130000000000003 109.692 -179.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.8 -25.54 68.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 119.686 -0.805 . . . . 42.130000000000003 112.391 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.2 p -62.17 -21.31 64.98 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 112.26 0.467 . . . . 31.18 112.26 178.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -87.11 -12.01 48.39 Favored 'General case' 0 C--O 1.24 0.563 0 N-CA-C 113.581 0.956 . . . . 35.369999999999997 113.581 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -96.12 99.13 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 107.467 -1.308 . . . . 26.41 107.467 -172.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -118.35 167.59 11.42 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.007 -0.738 . . . . 24.899999999999999 109.007 177.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.02 -32.83 62.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.557 -0.747 . . . . 36.030000000000001 112.482 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mp0 -89.61 -6.96 55.75 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 113.807 1.04 . . . . 43.140000000000001 113.807 -173.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.84 129.87 40.73 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.35 0.523 . . . . 27.719999999999999 110.591 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -82.51 133.04 35.19 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 108.066 -1.087 . . . . 42.200000000000003 108.066 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.15 -53.24 58.41 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.702 -0.799 . . . . 30.52 110.644 -176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.2 mt -74.33 -60.02 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.218 0.533 . . . . 33.280000000000001 110.398 -176.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.57 -39.59 91.82 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.236 -0.586 . . . . 44.119999999999997 112.044 -166.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -96.83 -46.31 6.3 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 112.578 0.585 . . . . 36.310000000000002 112.578 -173.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 92.0 mt -95.17 2.5 55.02 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.303 0.853 . . . . 26.27 113.303 -172.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.0 11.74 85.09 Favored Glycine 0 C--O 1.238 0.384 0 N-CA-C 116.075 1.19 . . . . 31.16 116.075 170.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.55 171.71 12.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 118.662 1.231 . . . . 27.469999999999999 109.948 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.703 ' OD2' ' O ' ' A' ' 201' ' ' HOH . 1.9 p30 -116.55 173.09 6.8 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.009 -1.108 . . . . 33.689999999999998 108.009 174.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.1 t -70.35 -2.66 14.26 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.051 -1.06 . . . . 46.530000000000001 113.507 -177.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mp -95.69 -26.62 15.65 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.889 0.768 . . . . 36.090000000000003 112.469 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -66.77 -25.34 66.43 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 112.083 0.401 . . . . 33.780000000000001 112.083 -172.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD12 ' HG ' ' A' ' 63' ' ' LEU . 3.4 tm? -73.36 -31.16 63.78 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 118.215 -1.394 . . . . 46.780000000000001 111.802 -167.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.0 p -70.76 -36.16 63.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 118.409 -1.316 . . . . 39.850000000000001 111.245 -177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.77 -43.57 88.47 Favored 'General case' 0 C--O 1.24 0.564 0 C-N-CA 118.997 -1.081 . . . . 39.200000000000003 111.404 171.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.9 mt -56.49 -47.01 80.15 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.241 -0.584 . . . . 26.27 110.647 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 58' ' ' VAL . 3.2 t -61.87 -42.29 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 O-C-N 122.042 -0.411 . . . . 35.43 111.309 -177.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 mtm -63.75 -34.18 77.3 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 118.322 -1.351 . . . . 53.009999999999998 111.206 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -68.29 -41.21 81.29 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.344 -0.942 . . . . 37.43 110.704 176.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -63.4 -38.09 89.8 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.923 -0.311 . . . . 23.52 111.661 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.81 ' HG2' ' HA ' ' A' ' 57' ' ' LYS . 47.7 mt-10 -58.62 -45.03 90.09 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.551 -0.459 . . . . 44.100000000000001 111.201 178.013 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 t -76.15 -26.94 56.77 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 111.808 0.299 . . . . 40.0 111.808 179.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -68.87 -44.18 73.83 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.457 -0.497 . . . . 25.98 111.851 -179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -108.32 -3.89 17.95 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.306 -0.871 . . . . 30.23 112.987 -172.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.05 42.55 84.44 Favored Glycine 0 CA--C 1.509 -0.33 0 C-N-CA 120.413 -0.899 . . . . 33.869999999999997 112.804 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.55 173.88 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 N-CA-C 105.999 -1.852 . . . . 35.68 105.999 174.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.81 ' HA ' ' HG2' ' A' ' 51' ' ' GLU . 5.4 mtpp -145.45 162.04 38.28 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 117.858 -1.537 . . . . 49.299999999999997 109.959 168.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 47' ' ' VAL . 4.8 m -122.12 156.54 26.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 106.6 -1.63 . . . . 49.93 106.6 -167.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -82.59 148.61 27.92 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.096 -0.956 . . . . 63.810000000000002 108.938 173.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -68.92 -28.01 66.27 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 118.915 -1.114 . . . . 67.670000000000002 110.957 171.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.33 83.97 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.979 -0.288 . . . . 51.159999999999997 111.355 175.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -82.47 -1.64 50.89 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 112.931 0.715 . . . . 52.950000000000003 112.931 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 43' ' ' LEU . 6.4 tt -77.22 -30.08 54.48 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 112.641 0.608 . . . . 52.090000000000003 112.641 178.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -70.4 -15.48 62.85 Favored 'General case' 0 CA--C 1.519 -0.216 0 C-N-CA 120.578 -0.449 . . . . 68.409999999999997 111.871 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -90.43 -15.01 31.73 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.786 0.661 . . . . 44.219999999999999 112.786 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 97.3 mt -78.43 111.07 14.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 108.574 -0.899 . . . . 33.310000000000002 108.574 -174.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -113.41 -36.52 4.94 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.304 0.853 . . . . 35.310000000000002 113.304 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 51.0 p -121.17 170.62 9.39 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.938 0.875 . . . . 21.719999999999999 111.073 -175.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.12 -42.29 89.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-N 114.736 -1.12 . . . . 24.02 110.268 173.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.77 -32.06 73.33 Favored Glycine 0 C--N 1.338 0.641 0 C-N-CA 120.657 -0.783 . . . . 17.93 113.17 178.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.57 -45.14 95.4 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 117.296 0.548 . . . . 19.800000000000001 111.019 176.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.0 mt -59.82 -50.89 78.35 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.456 0.646 . . . . 22.48 110.449 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -56.71 -48.53 80.7 Favored 'Isoleucine or valine' 0 C--O 1.245 0.835 0 C-N-CA 119.692 -0.803 . . . . 17.390000000000001 110.174 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 m -64.43 -39.06 93.12 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 119.839 -0.745 . . . . 19.59 111.408 -177.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.747 ' CZ ' ' HE2' ' A' ' 79' ' ' LYS . 24.7 t80 -62.69 -42.66 99.75 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 118.4 -1.32 . . . . 44.07 110.789 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.53 -43.96 98.51 Favored 'Isoleucine or valine' 0 C--O 1.241 0.648 0 C-N-CA 120.253 -0.579 . . . . 24.239999999999998 110.667 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -62.97 -34.24 77.09 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.477 -0.489 . . . . 29.59 111.752 -175.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -73.46 -32.73 64.5 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 119.518 -0.873 . . . . 62.229999999999997 111.917 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.747 ' HE2' ' CZ ' ' A' ' 75' ' ' TYR . 0.6 OUTLIER -74.08 -8.95 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 118.943 -1.103 . . . . 44.710000000000001 112.725 177.532 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 118.542 0.61 . . . . 44.909999999999997 111.312 175.778 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t . . . . . 0 C--O 1.238 0.457 0 CA-C-O 120.783 0.325 . . . . 32.770000000000003 110.946 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 4' ' ' ARG . 6.6 ttt180 -57.41 -40.25 77.9 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.287 -0.965 . . . . 22.309999999999999 110.802 175.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -61.63 -38.26 87.02 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 120.028 -0.669 . . . . 25.710000000000001 111.401 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -66.2 -49.44 67.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.014 0.435 . . . . 39.869999999999997 111.206 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.485 HD11 HD11 ' B' ' 80' ' ' LEU . 91.1 mt -61.58 -47.8 91.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 CA-C-O 121.329 0.585 . . . . 17.640000000000001 110.287 -177.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -64.46 -38.17 90.08 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 120.205 -0.598 . . . . 28.690000000000001 111.386 -177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.2 t -60.18 -47.66 85.0 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.585 -0.846 . . . . 22.530000000000001 111.502 178.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 28.3 mttp -70.22 -38.95 75.35 Favored 'General case' 0 C--O 1.241 0.607 0 O-C-N 122.067 -0.396 . . . . 24.77 111.446 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 5.3 t -60.43 -37.79 75.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 CA-C-O 121.237 0.541 . . . . 13.99 110.01 174.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.848 ' NZ ' ' O ' ' B' ' 201' ' ' HOH . 5.2 ttpp -71.11 -36.54 72.2 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 119.851 -0.74 . . . . 34.659999999999997 111.177 -175.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -66.1 -47.41 74.28 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 120.834 -0.346 . . . . 19.399999999999999 111.274 176.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.38 -44.99 93.77 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 C-N-CA 119.636 -0.826 . . . . 22.309999999999999 110.26 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ILE . . . . . 0.607 HG23 HD22 ' B' ' 19' ' ' LEU . 42.5 mt -61.92 -43.72 97.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 C-N-CA 119.864 -0.735 . . . . 19.32 110.092 -178.65 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 31.1 t -63.52 -41.89 98.47 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.123 -0.361 . . . . 23.890000000000001 110.811 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.9 -41.26 95.74 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 122.066 -0.396 . . . . 26.949999999999999 111.812 -178.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -93.55 -36.04 12.61 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 113.163 0.801 . . . . 37.649999999999999 113.163 -170.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.607 HD22 HG23 ' B' ' 15' ' ' ILE . 6.2 mp -84.4 -16.6 42.14 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 118.791 0.723 . . . . 29.34 112.766 175.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.26 5.27 89.05 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.412 -0.899 . . . . 39.979999999999997 114.967 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 m -87.89 161.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 118.759 1.28 . . . . 26.25 109.625 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -78.26 147.45 34.35 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-N 114.983 -1.008 . . . . 52.5 108.569 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -62.74 -24.24 67.6 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.768 -0.651 . . . . 44.219999999999999 112.204 -175.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 57.1 p -60.87 -24.1 65.67 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.93 0.715 . . . . 28.370000000000001 112.93 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -85.73 -13.23 48.99 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 113.025 0.75 . . . . 37.450000000000003 113.025 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.4 t -95.6 98.57 8.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 106.856 -1.535 . . . . 27.550000000000001 106.856 -172.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 71.9 p -119.87 166.98 12.59 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.377 -0.971 . . . . 22.949999999999999 108.377 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -54.96 -30.47 59.02 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.182 -0.917 . . . . 31.489999999999998 112.727 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mp0 -89.75 -8.2 52.77 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 112.834 0.679 . . . . 37.579999999999998 112.834 -175.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.04 129.78 41.0 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 112.281 0.474 . . . . 22.899999999999999 112.281 -172.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -75.4 129.47 37.38 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-N 115.899 -0.591 . . . . 48.600000000000001 110.301 170.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.79 -55.56 32.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 119.148 -1.021 . . . . 29.050000000000001 110.214 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 6.1 mt -74.39 -60.14 2.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 C-N-CA 119.588 -0.845 . . . . 30.670000000000002 110.321 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.89 -37.64 84.77 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.768 -0.373 . . . . 55.119999999999997 111.819 -166.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -96.15 -47.32 6.11 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.944 0.72 . . . . 35.579999999999998 112.944 -175.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 87.6 mt -95.97 1.8 53.03 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.267 0.84 . . . . 28.719999999999999 113.267 -171.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.38 10.82 85.57 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 116.917 1.527 . . . . 28.699999999999999 116.917 171.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.06 172.01 12.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.082 1.441 . . . . 29.82 110.869 178.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -118.63 173.39 6.88 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 108.89 -0.781 . . . . 36.359999999999999 108.89 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' SER . . . . . . . . . . . . . 8.4 t -68.19 -4.98 15.71 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 113.129 0.788 . . . . 56.880000000000003 113.129 -177.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 mp -96.13 -27.09 15.23 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 118.587 0.631 . . . . 39.469999999999999 112.514 176.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.88 -27.62 68.35 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.879 -0.728 . . . . 30.879999999999999 111.942 -173.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -72.22 -30.89 65.35 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 118.517 -1.273 . . . . 42.240000000000002 112.263 -168.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 1.6 p -68.8 -37.97 78.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 C-N-CA 117.934 -1.506 . . . . 38.109999999999999 110.815 -178.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.58 -44.94 80.87 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 119.511 -0.876 . . . . 35.859999999999999 111.874 173.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 84.4 mt -55.76 -45.32 78.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.263 0.554 . . . . 27.23 109.956 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.493 HG11 HG21 ' B' ' 58' ' ' VAL . 3.9 t -60.87 -42.89 94.29 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.873 -0.603 . . . . 32.32 110.912 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 4.2 mtm -64.47 -34.52 78.41 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.806 -1.158 . . . . 55.75 111.658 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -69.31 -40.02 77.9 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 118.888 -1.125 . . . . 33.350000000000001 111.266 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.34 -38.95 91.48 Favored 'General case' 0 C--N 1.346 0.423 0 C-N-CA 120.094 -0.642 . . . . 24.420000000000002 111.056 172.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.723 ' HG2' ' HA ' ' B' ' 57' ' ' LYS . 30.7 mt-10 -57.03 -45.49 83.07 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.558 -0.457 . . . . 46.18 111.137 177.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -75.83 -27.81 58.02 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.217 0.451 . . . . 42.219999999999999 112.217 179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -68.03 -43.19 79.32 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.431 -0.508 . . . . 25.739999999999998 111.381 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -108.32 -5.08 16.94 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 114.173 1.175 . . . . 31.829999999999998 114.173 -171.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.87 42.49 78.35 Favored Glycine 0 C--O 1.24 0.508 0 C-N-CA 120.147 -1.025 . . . . 34.960000000000001 112.25 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 29.9 m -127.92 174.73 10.98 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 N-CA-C 107.068 -1.456 . . . . 34.909999999999997 107.068 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LYS . . . . . 0.723 ' HA ' ' HG2' ' B' ' 51' ' ' GLU . 5.8 ptpt -146.0 160.8 41.37 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 117.43 -1.708 . . . . 51.649999999999999 111.177 167.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.493 HG21 HG11 ' B' ' 47' ' ' VAL . 10.9 m -122.75 155.09 28.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 114.068 -1.424 . . . . 48.590000000000003 107.188 -167.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -82.11 150.95 27.22 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.613 -0.721 . . . . 70.239999999999995 109.647 175.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.71 -31.29 69.21 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.694 -1.203 . . . . 65.540000000000006 111.04 170.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.33 87.65 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.927 -0.309 . . . . 56.350000000000001 111.56 177.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -82.13 -0.39 44.6 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.783 0.66 . . . . 55.68 112.783 -176.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 tt -77.36 -27.9 52.8 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 117.878 0.308 . . . . 47.399999999999999 111.232 176.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -70.01 -16.63 63.2 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 112.104 0.409 . . . . 70.189999999999998 112.104 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -90.3 -12.0 39.11 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.582 0.586 . . . . 40.240000000000002 112.582 -179.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.7 mt -79.78 110.41 15.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 108.694 -0.854 . . . . 35.579999999999998 108.694 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' SER . . . . . . . . . . . . . 45.9 t -113.46 -34.91 5.43 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 113.909 1.077 . . . . 35.619999999999997 113.909 -177.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 46.4 p -123.29 171.42 9.4 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.013 0.911 . . . . 23.149999999999999 110.444 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.77 -41.22 84.79 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 114.456 -1.247 . . . . 21.510000000000002 110.236 172.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.28 -31.19 72.89 Favored Glycine 0 C--N 1.337 0.635 0 C-N-CA 121.138 -0.554 . . . . 22.780000000000001 113.263 177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -62.38 -44.6 96.07 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 117.39 0.595 . . . . 22.120000000000001 111.431 176.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.34 -50.97 78.2 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 CA-C-O 121.225 0.536 . . . . 16.870000000000001 110.565 176.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.84 -47.42 82.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.591 0 CA-C-O 121.276 0.56 . . . . 16.5 109.975 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -65.19 -39.9 93.48 Favored 'General case' 0 CA--C 1.517 -0.317 0 C-N-CA 120.597 -0.441 . . . . 18.879999999999999 111.609 -176.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TYR . . . . . 0.434 ' CE2' HG12 ' B' ' 58' ' ' VAL . 26.7 t80 -63.29 -43.35 98.13 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 119.454 -0.898 . . . . 47.039999999999999 110.547 176.729 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.85 -43.88 99.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.1 0.476 . . . . 20.100000000000001 110.744 176.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -63.77 -34.9 78.93 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.286 -0.566 . . . . 29.09 111.803 -176.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -72.87 -32.18 65.24 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.672 -0.811 . . . . 48.32 111.299 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -75.33 -5.36 44.37 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 112.795 0.665 . . . . 37.859999999999999 112.795 178.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LEU . . . . . 0.485 HD11 HD11 ' B' ' 7' ' ' ILE . 4.4 pp . . . . . 0 C--O 1.234 0.285 0 CA-C-N 119.128 0.876 . . . . 40.539999999999999 109.713 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.703 ' O ' ' OD2' ' A' ' 39' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . 0.848 ' O ' ' NZ ' ' B' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_