data_6ghw_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 6ghw _Structure_validation_residue.Date_analyzed 2019-03-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mt -121.15 125.55 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.771 -0.455 . . . . 27.789999999999999 109.771 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -118.6 129.29 55.24 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.69 -0.485 . . . . 26.239999999999998 109.69 -177.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 102' ' ' HOH . 4.0 tt0 -114.87 120.93 41.62 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.889 -1.152 . . . . 39.93 107.889 171.588 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -114.07 113.8 44.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.2 -1.037 . . . . 28.5 108.2 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -86.97 120.91 28.74 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.051 -0.722 . . . . 32.990000000000002 109.051 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt -133.66 152.25 34.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.96 -0.756 . . . . 28.670000000000002 108.96 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.67 138.21 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 35.039999999999999 109.765 171.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -64.16 160.36 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.931 0.872 . . . . 52.119999999999997 110.507 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.99 -18.12 5.62 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.382 -0.826 . . . . 33.359999999999999 114.102 176.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -73.88 153.2 39.96 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.62 0.724 . . . . 42.359999999999999 110.683 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.3 p -78.11 166.51 22.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.976 0.893 . . . . 29.09 110.406 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -62.36 -33.89 75.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.417 -0.811 . . . . 35.270000000000003 111.276 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -43.36 85.31 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 115.54 -2.172 . . . . 45.479999999999997 108.397 179.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -67.53 -43.38 80.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 121.157 1.798 . . . . 37.049999999999997 111.423 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -68.74 -25.82 64.93 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.28 -0.568 . . . . 30.27 111.648 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -70.23 -42.04 72.77 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.146 -0.622 . . . . 50.5 110.931 171.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 m -61.36 -37.14 82.3 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.858 -0.337 . . . . 30.289999999999999 111.102 174.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.93 -38.58 91.43 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.47 -0.492 . . . . 28.120000000000001 111.395 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -68.78 -41.17 82.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 120.457 -0.497 . . . . 29.489999999999998 110.672 -178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ttm105 -72.84 -43.31 62.79 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.141 -0.624 . . . . 42.740000000000002 111.626 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -67.97 -35.86 79.08 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.386 -0.526 . . . . 41.740000000000002 111.522 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.6 t -71.52 -42.69 72.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 120.131 -0.627 . . . . 23.5 110.512 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 m -61.26 -41.61 97.23 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.442 -0.503 . . . . 25.399999999999999 111.253 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -66.38 -33.01 74.75 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.297 -0.561 . . . . 47.009999999999998 111.39 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.01 74.74 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.462 -0.495 . . . . 26.41 111.261 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.2 mt -67.11 -44.29 88.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 120.982 0.42 . . . . 27.199999999999999 110.381 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -63.28 -33.19 74.98 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.977 -0.452 . . . . 30.370000000000001 111.347 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 -70.26 -49.19 52.37 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.831 -0.348 . . . . 37.780000000000001 111.278 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -70.93 -29.86 66.01 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.56 -0.456 . . . . 32.920000000000002 112.163 -171.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.35 -0.77 25.86 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.396 0.887 . . . . 39.659999999999997 113.396 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t0 53.79 41.22 32.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.718 0.77 . . . . 51.700000000000003 110.919 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.16 151.6 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 39.049999999999997 110.448 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.87 -41.51 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.686 0.616 . . . . 34.159999999999997 111.353 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -64.69 -16.03 62.26 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.643 0.608 . . . . 38.200000000000003 112.643 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.6 p -88.95 -0.91 57.81 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.905 0.706 . . . . 36.119999999999997 112.905 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.92 128.21 52.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 108.896 -0.779 . . . . 33.270000000000003 108.896 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -122.08 139.74 53.35 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.179 0.592 . . . . 42.729999999999997 109.575 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -124.32 132.71 70.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.495 -0.928 . . . . 31.809999999999999 108.495 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' ALA . 50.7 mt -114.9 128.06 72.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.194 -1.039 . . . . 28.379999999999999 108.194 177.318 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.5 mt -103.21 120.23 52.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 107.985 -1.117 . . . . 32.229999999999997 107.985 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -115.55 108.61 16.67 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.018 -1.104 . . . . 28.5 108.018 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.58 143.67 36.25 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.03 0.443 . . . . 32.670000000000002 110.488 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mtm -118.65 127.27 53.43 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.029 -0.73 . . . . 33.609999999999999 109.029 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 156.48 36.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.661 0.743 . . . . 35.149999999999999 109.898 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -60.69 -23.83 65.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.611 -0.722 . . . . 49.380000000000003 111.829 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.17 1.97 87.6 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 115.73 1.052 . . . . 31.579999999999998 115.73 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -117.15 -4.39 11.44 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.36 1.08 . . . . 30.359999999999999 113.7 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -117.21 130.97 56.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.837 0.744 . . . . 36.240000000000002 109.299 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.85 146.12 18.01 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.65 -0.58 . . . . 35.630000000000003 111.65 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.64 112.58 26.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 107.005 -1.48 . . . . 35.719999999999999 107.005 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.14 35.28 60.88 Favored Glycine 0 C--O 1.238 0.365 0 C-N-CA 120.43 -0.891 . . . . 33.909999999999997 113.407 -175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.65 2.86 46.58 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.966 0.746 . . . . 33.270000000000003 114.966 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -118.17 141.38 48.56 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.189 0.995 . . . . 46.259999999999998 109.492 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -71.64 112.01 7.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.863 -0.608 . . . . 48.039999999999999 110.044 -172.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.462 -0.335 . . . . 43.649999999999999 110.587 177.177 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 93.8 mt -127.4 115.9 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.617 -0.512 . . . . 28.719999999999999 109.617 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.25 128.7 56.55 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.893 0.477 . . . . 27.059999999999999 110.02 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -114.78 122.82 47.55 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.38 -0.971 . . . . 37.799999999999997 108.38 171.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.9 mt -111.68 122.14 65.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 108.304 -0.999 . . . . 24.16 108.304 -177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -93.25 113.38 25.58 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.894 -0.78 . . . . 28.289999999999999 108.894 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.04 155.57 33.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.153 -0.684 . . . . 26.629999999999999 109.153 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.87 144.75 47.3 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.577 -0.738 . . . . 30.329999999999998 110.319 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.02 158.74 27.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.913 0.863 . . . . 38.469999999999999 110.368 176.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.6 -18.55 9.28 Favored Glycine 0 C--O 1.24 0.497 0 CA-C-N 115.428 -0.806 . . . . 45.880000000000003 114.48 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -71.47 155.71 40.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.366 1.083 . . . . 48.539999999999999 110.408 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.7 p -85.59 172.41 10.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.874 0.845 . . . . 37.149999999999999 110.355 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.94 -32.17 73.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.485 -0.78 . . . . 45.310000000000002 111.537 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -72.27 -42.76 65.21 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.169 -0.613 . . . . 48.590000000000003 111.427 -176.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -63.94 -37.55 87.82 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.237 -0.585 . . . . 36.840000000000003 111.242 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -73.86 -30.81 62.85 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.353 -0.539 . . . . 38.920000000000002 111.595 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -68.22 -39.73 82.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.403 -0.519 . . . . 49.390000000000001 110.927 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.5 m -65.34 -37.42 87.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.646 -0.422 . . . . 30.43 110.883 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.92 -44.75 94.13 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.905 -0.318 . . . . 31.390000000000001 111.255 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.96 -43.36 97.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.691 -0.404 . . . . 29.370000000000001 110.658 -176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -72.0 -48.17 46.73 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.283 -0.567 . . . . 41.789999999999999 111.3 -175.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -65.42 -36.47 84.04 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.245 -0.582 . . . . 34.299999999999997 111.475 -176.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.6 t -70.31 -42.97 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 120.177 -0.609 . . . . 27.52 110.426 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -61.93 -36.29 80.93 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.398 -0.521 . . . . 29.079999999999998 111.168 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -68.3 -41.12 81.39 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.244 -0.582 . . . . 34.390000000000001 111.098 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.56 78.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.394 -0.523 . . . . 28.690000000000001 111.673 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -70.47 -41.35 78.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.395 -0.522 . . . . 30.649999999999999 110.352 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -67.03 -38.07 85.25 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.878 -0.514 . . . . 37.409999999999997 111.412 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtm105 -68.29 -50.19 55.36 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.587 -0.445 . . . . 47.329999999999998 111.246 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.8 m -67.47 -29.35 68.77 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.114 0.412 . . . . 35.469999999999999 112.114 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 85.4 mt -105.55 0.28 26.44 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.198 0.814 . . . . 44.689999999999998 113.198 -176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 54.32 29.39 10.75 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.217 0.532 . . . . 47.490000000000002 111.395 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.57 152.78 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.007 -0.368 . . . . 42.520000000000003 110.007 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.73 -34.62 69.69 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.588 0.555 . . . . 37.950000000000003 111.103 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.4 p -67.04 -19.81 65.75 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.711 0.634 . . . . 40.520000000000003 112.711 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.7 p -86.66 -5.93 58.99 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.065 0.765 . . . . 36.490000000000002 113.065 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -89.59 129.66 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.107 -0.701 . . . . 31.100000000000001 109.107 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -122.55 140.67 52.52 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.348 -0.612 . . . . 42.57 109.348 174.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.69 132.24 69.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 108.753 -0.832 . . . . 27.190000000000001 108.753 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.61 124.64 73.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.055 -1.091 . . . . 27.920000000000002 108.055 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.0 mt -102.28 122.87 55.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.304 -0.998 . . . . 33.719999999999999 108.304 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.5 m -117.56 115.33 24.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.891 -0.781 . . . . 27.699999999999999 108.891 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -88.23 140.88 29.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 32.530000000000001 110.436 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 38.8 mtm -120.44 130.44 54.32 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.13 -0.693 . . . . 33.240000000000002 109.13 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 157.78 35.14 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.695 0.759 . . . . 30.199999999999999 110.208 173.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.24 -35.56 75.75 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.391 -0.822 . . . . 55.149999999999999 111.321 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.7 3.54 55.17 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.867 1.107 . . . . 36.880000000000003 115.867 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -119.04 13.68 13.03 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 118.655 1.228 . . . . 33.289999999999999 112.752 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -139.73 129.23 24.25 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.712 -0.848 . . . . 37.079999999999998 108.712 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.87 148.5 17.03 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 121.54 0.522 . . . . 27.129999999999999 112.215 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -130.7 118.65 43.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 107.804 -1.184 . . . . 40.310000000000002 107.804 174.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.21 29.53 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.568 -0.825 . . . . 32.299999999999997 113.837 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.5 5.32 89.3 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 115.199 0.839 . . . . 33.960000000000001 115.199 -178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -126.41 157.01 39.66 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.444 1.122 . . . . 44.210000000000001 109.542 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.86 147.03 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 46.719999999999999 110.821 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.57 -0.741 . . . . 58.890000000000001 110.786 179.63 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 94.8 mt -120.22 120.02 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.55 -0.537 . . . . 24.859999999999999 109.55 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.93 127.4 52.64 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.758 0.423 . . . . 21.809999999999999 109.97 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -108.02 127.56 53.88 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.478 -0.934 . . . . 28.350000000000001 108.478 170.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 28.9 mt -116.35 110.05 30.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.029 -1.1 . . . . 21.43 108.029 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -83.3 120.0 25.3 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.989 -0.745 . . . . 28.149999999999999 108.989 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.16 152.77 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.907 -0.775 . . . . 24.280000000000001 108.907 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -70.31 134.83 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.687 -0.688 . . . . 38.939999999999998 109.747 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.85 166.71 12.81 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 122.125 0.964 . . . . 42.590000000000003 110.561 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.89 -5.31 18.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.166 -0.924 . . . . 34.640000000000001 114.471 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' C' ' 207' ' ' HOH . 10.0 mmm180 -83.64 153.43 24.26 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.427 1.113 . . . . 47.549999999999997 110.289 179.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -74.57 165.59 24.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.954 0.883 . . . . 30.670000000000002 110.186 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.05 -26.06 65.67 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.609 -0.836 . . . . 34.640000000000001 111.61 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.03 -44.2 73.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.446 -0.502 . . . . 44.43 111.163 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.22 -40.12 96.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.354 -0.538 . . . . 39.460000000000001 111.228 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.5 -32.79 70.42 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.336 -0.546 . . . . 28.670000000000002 111.603 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.71 -37.64 79.64 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.905 -0.718 . . . . 44.280000000000001 110.816 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 48.2 m -64.8 -39.95 94.43 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.588 -0.445 . . . . 32.530000000000001 110.891 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 21.7 tp -61.76 -40.33 94.76 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.643 -0.423 . . . . 28.219999999999999 111.268 177.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.61 -39.74 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.54 -0.464 . . . . 27.600000000000001 110.453 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ttp-105 -72.74 -49.37 31.44 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 121.874 -0.516 . . . . 39.229999999999997 111.557 -176.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.82 -38.83 87.19 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.384 -0.526 . . . . 47.439999999999998 111.536 -175.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.47 -45.24 82.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 120.437 -0.505 . . . . 26.09 110.394 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -60.33 -36.79 78.76 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.346 -0.541 . . . . 28.640000000000001 111.116 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' C' ' 201' ' ' HOH . 0.2 OUTLIER -66.69 -38.16 86.2 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.348 -0.541 . . . . 44.719999999999999 111.11 175.166 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.1 65.65 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.389 -0.524 . . . . 31.649999999999999 111.769 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.32 -47.75 76.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.055 0.455 . . . . 30.609999999999999 110.464 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -69.5 -34.44 74.31 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.455 -0.498 . . . . 32.520000000000003 111.493 -177.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -73.34 -36.81 66.23 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.328 -0.549 . . . . 45.859999999999999 111.356 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -74.26 -48.07 31.02 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 122.056 -0.402 . . . . 37.159999999999997 111.472 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 66.6 mt -77.67 -10.23 59.41 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.148 0.796 . . . . 35.009999999999998 113.148 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.66 58.13 5.68 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.493 1.139 . . . . 37.93 110.236 -170.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.23 160.67 27.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.119 -1.401 . . . . 31.239999999999998 108.36 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' 8LJ . . . . . 0.433 ' O ' ' OG ' ' C' ' 37' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.6 -41.16 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.591 0.557 . . . . 35.539999999999999 111.001 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 75.8 p -63.19 -13.29 35.62 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.77 0.656 . . . . 35.18 112.77 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' C' ' 34' ' ' 8LJ . 87.8 p -93.67 -3.19 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.939 0.718 . . . . 30.43 112.939 178.101 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -89.71 125.97 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 109.168 -0.679 . . . . 29.780000000000001 109.168 -177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.3 134.62 54.96 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.113 -0.699 . . . . 40.560000000000002 109.113 175.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -123.74 132.77 70.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.358 -0.978 . . . . 27.760000000000002 108.358 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.62 121.2 66.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.9 -1.148 . . . . 26.620000000000001 107.9 176.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 21.2 mt -96.78 117.0 40.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 108.158 -1.053 . . . . 27.469999999999999 108.158 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -112.4 113.4 25.58 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.478 -0.934 . . . . 27.710000000000001 108.478 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -82.61 140.93 32.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 29.460000000000001 110.595 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 50.8 mtm -115.28 128.35 56.07 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.771 -0.65 . . . . 31.359999999999999 109.313 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.4 153.4 43.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.178 0.513 . . . . 33.729999999999997 109.648 172.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' LYS . . . . . 0.55 ' NZ ' ' O ' ' C' ' 57' ' ' ALA . 5.7 tptp -60.58 -34.26 73.93 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.366 -0.933 . . . . 49.539999999999999 111.241 -177.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.42 6.67 56.85 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 115.71 1.044 . . . . 28.190000000000001 115.71 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -116.33 -0.14 12.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 118.239 1.02 . . . . 30.91 113.171 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -120.04 122.79 41.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.816 -0.809 . . . . 30.850000000000001 108.816 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.87 141.11 15.21 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.545 -0.622 . . . . 29.920000000000002 111.545 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.7 121.02 46.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 107.522 -1.288 . . . . 38.920000000000002 107.522 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.05 23.55 69.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 37.829999999999998 114.441 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.27 -10.61 74.43 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 117.914 0.857 . . . . 32.210000000000001 115.14 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -117.01 163.41 16.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.4 1.1 . . . . 50.100000000000001 109.92 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.36 141.98 58.58 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.407 -0.815 . . . . 43.439999999999998 109.995 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' ALA . . . . . 0.55 ' O ' ' NZ ' ' C' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 49.909999999999997 112.284 -174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.591 ' O ' ' NE2' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . 0.574 ' O ' ' OE2' ' C' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 207' ' ' HOH . . . . . 0.528 ' O ' ' NH2' ' C' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mt -121.15 125.55 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.771 -0.455 . . . . 27.789999999999999 109.771 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.6 129.29 55.24 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.69 -0.485 . . . . 26.239999999999998 109.69 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 102' ' ' HOH . 4.0 tt0 -114.87 120.93 41.62 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.889 -1.152 . . . . 39.93 107.889 171.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -114.07 113.8 44.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.2 -1.037 . . . . 28.5 108.2 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -86.97 120.91 28.74 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.051 -0.722 . . . . 32.990000000000002 109.051 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt -133.66 152.25 34.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.96 -0.756 . . . . 28.670000000000002 108.96 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.67 138.21 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 35.039999999999999 109.765 171.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -64.16 160.36 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.931 0.872 . . . . 52.119999999999997 110.507 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.99 -18.12 5.62 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.382 -0.826 . . . . 33.359999999999999 114.102 176.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -73.88 153.2 39.96 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.62 0.724 . . . . 42.359999999999999 110.683 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.3 p -78.11 166.51 22.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.976 0.893 . . . . 29.09 110.406 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -62.36 -33.89 75.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.417 -0.811 . . . . 35.270000000000003 111.276 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -43.36 85.31 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 115.54 -2.172 . . . . 45.479999999999997 108.397 179.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -67.53 -43.38 80.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 121.157 1.798 . . . . 37.049999999999997 111.423 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -68.74 -25.82 64.93 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.28 -0.568 . . . . 30.27 111.648 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -70.23 -42.04 72.77 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.146 -0.622 . . . . 50.5 110.931 171.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 m -61.36 -37.14 82.3 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.858 -0.337 . . . . 30.289999999999999 111.102 174.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.93 -38.58 91.43 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.47 -0.492 . . . . 28.120000000000001 111.395 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -68.78 -41.17 82.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 120.457 -0.497 . . . . 29.489999999999998 110.672 -178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ttm105 -72.84 -43.31 62.79 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.141 -0.624 . . . . 42.740000000000002 111.626 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -67.97 -35.86 79.08 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.386 -0.526 . . . . 41.740000000000002 111.522 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.6 t -71.52 -42.69 72.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 120.131 -0.627 . . . . 23.5 110.512 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 m -61.26 -41.61 97.23 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.442 -0.503 . . . . 25.399999999999999 111.253 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -66.38 -33.01 74.75 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.297 -0.561 . . . . 47.009999999999998 111.39 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.01 74.74 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.462 -0.495 . . . . 26.41 111.261 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.2 mt -67.11 -44.29 88.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 120.982 0.42 . . . . 27.199999999999999 110.381 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -63.28 -33.19 74.98 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.977 -0.452 . . . . 30.370000000000001 111.347 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 -70.26 -49.19 52.37 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.831 -0.348 . . . . 37.780000000000001 111.278 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -70.93 -29.86 66.01 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.56 -0.456 . . . . 32.920000000000002 112.163 -171.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.35 -0.77 25.86 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.396 0.887 . . . . 39.659999999999997 113.396 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t0 53.79 41.22 32.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.718 0.77 . . . . 51.700000000000003 110.919 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.16 151.6 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 39.049999999999997 110.448 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.87 -41.51 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.686 0.616 . . . . 34.159999999999997 111.353 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -64.69 -16.03 62.26 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.643 0.608 . . . . 38.200000000000003 112.643 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.6 p -88.95 -0.91 57.81 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.905 0.706 . . . . 36.119999999999997 112.905 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.92 128.21 52.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 108.896 -0.779 . . . . 33.270000000000003 108.896 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -122.08 139.74 53.35 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.179 0.592 . . . . 42.729999999999997 109.575 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -124.32 132.71 70.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.495 -0.928 . . . . 31.809999999999999 108.495 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -114.9 128.06 72.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.194 -1.039 . . . . 28.379999999999999 108.194 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.5 mt -103.21 120.23 52.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 107.985 -1.117 . . . . 32.229999999999997 107.985 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -115.55 108.61 16.67 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.018 -1.104 . . . . 28.5 108.018 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.58 143.67 36.25 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.03 0.443 . . . . 32.670000000000002 110.488 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mtm -118.65 127.27 53.43 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.029 -0.73 . . . . 33.609999999999999 109.029 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 156.48 36.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.661 0.743 . . . . 35.149999999999999 109.898 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -60.69 -23.83 65.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.611 -0.722 . . . . 49.380000000000003 111.829 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' HD22 ' A' ' 56' ' ' LEU . . . -86.17 1.97 87.6 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 115.73 1.052 . . . . 31.579999999999998 115.73 176.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -117.15 -4.39 11.44 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.36 1.08 . . . . 30.359999999999999 113.7 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -117.21 130.97 56.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.837 0.744 . . . . 36.240000000000002 109.299 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.85 146.12 18.01 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.65 -0.58 . . . . 35.630000000000003 111.65 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.64 112.58 26.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 107.005 -1.48 . . . . 35.719999999999999 107.005 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.14 35.28 60.88 Favored Glycine 0 C--O 1.238 0.365 0 C-N-CA 120.43 -0.891 . . . . 33.909999999999997 113.407 -175.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.65 2.86 46.58 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.966 0.746 . . . . 33.270000000000003 114.966 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -118.17 141.38 48.56 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.189 0.995 . . . . 46.259999999999998 109.492 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' HA2' ' A' ' 48' ' ' GLY . 1.2 mt -71.64 112.01 7.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.863 -0.608 . . . . 48.039999999999999 110.044 -172.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.462 -0.335 . . . . 43.649999999999999 110.587 177.177 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 93.8 mt -127.4 115.9 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.617 -0.512 . . . . 28.719999999999999 109.617 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.25 128.7 56.55 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.893 0.477 . . . . 27.059999999999999 110.02 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -114.78 122.82 47.55 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.38 -0.971 . . . . 37.799999999999997 108.38 171.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.9 mt -111.68 122.14 65.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 108.304 -0.999 . . . . 24.16 108.304 -177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -93.25 113.38 25.58 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.894 -0.78 . . . . 28.289999999999999 108.894 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.04 155.57 33.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.153 -0.684 . . . . 26.629999999999999 109.153 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.87 144.75 47.3 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.577 -0.738 . . . . 30.329999999999998 110.319 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.02 158.74 27.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.913 0.863 . . . . 38.469999999999999 110.368 176.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.6 -18.55 9.28 Favored Glycine 0 C--O 1.24 0.497 0 CA-C-N 115.428 -0.806 . . . . 45.880000000000003 114.48 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -71.47 155.71 40.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.366 1.083 . . . . 48.539999999999999 110.408 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.7 p -85.59 172.41 10.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.874 0.845 . . . . 37.149999999999999 110.355 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.94 -32.17 73.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.485 -0.78 . . . . 45.310000000000002 111.537 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -72.27 -42.76 65.21 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.169 -0.613 . . . . 48.590000000000003 111.427 -176.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -63.94 -37.55 87.82 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.237 -0.585 . . . . 36.840000000000003 111.242 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -73.86 -30.81 62.85 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.353 -0.539 . . . . 38.920000000000002 111.595 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -68.22 -39.73 82.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.403 -0.519 . . . . 49.390000000000001 110.927 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.5 m -65.34 -37.42 87.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.646 -0.422 . . . . 30.43 110.883 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.92 -44.75 94.13 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.905 -0.318 . . . . 31.390000000000001 111.255 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.96 -43.36 97.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.691 -0.404 . . . . 29.370000000000001 110.658 -176.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -72.0 -48.17 46.73 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.283 -0.567 . . . . 41.789999999999999 111.3 -175.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -65.42 -36.47 84.04 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.245 -0.582 . . . . 34.299999999999997 111.475 -176.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.6 t -70.31 -42.97 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 120.177 -0.609 . . . . 27.52 110.426 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -61.93 -36.29 80.93 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.398 -0.521 . . . . 29.079999999999998 111.168 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -68.3 -41.12 81.39 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.244 -0.582 . . . . 34.390000000000001 111.098 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.56 78.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.394 -0.523 . . . . 28.690000000000001 111.673 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -70.47 -41.35 78.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.395 -0.522 . . . . 30.649999999999999 110.352 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -67.03 -38.07 85.25 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.878 -0.514 . . . . 37.409999999999997 111.412 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtm105 -68.29 -50.19 55.36 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.587 -0.445 . . . . 47.329999999999998 111.246 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.8 m -67.47 -29.35 68.77 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.114 0.412 . . . . 35.469999999999999 112.114 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 85.4 mt -105.55 0.28 26.44 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.198 0.814 . . . . 44.689999999999998 113.198 -176.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 54.32 29.39 10.75 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.217 0.532 . . . . 47.490000000000002 111.395 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.57 152.78 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.007 -0.368 . . . . 42.520000000000003 110.007 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.73 -34.62 69.69 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.588 0.555 . . . . 37.950000000000003 111.103 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.4 p -67.04 -19.81 65.75 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.711 0.634 . . . . 40.520000000000003 112.711 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.7 p -86.66 -5.93 58.99 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.065 0.765 . . . . 36.490000000000002 113.065 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -89.59 129.66 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.107 -0.701 . . . . 31.100000000000001 109.107 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -122.55 140.67 52.52 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.348 -0.612 . . . . 42.57 109.348 174.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.69 132.24 69.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 108.753 -0.832 . . . . 27.190000000000001 108.753 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.61 124.64 73.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.055 -1.091 . . . . 27.920000000000002 108.055 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.0 mt -102.28 122.87 55.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.304 -0.998 . . . . 33.719999999999999 108.304 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.5 m -117.56 115.33 24.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.891 -0.781 . . . . 27.699999999999999 108.891 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -88.23 140.88 29.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 32.530000000000001 110.436 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 38.8 mtm -120.44 130.44 54.32 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.13 -0.693 . . . . 33.240000000000002 109.13 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 157.78 35.14 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.695 0.759 . . . . 30.199999999999999 110.208 173.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.24 -35.56 75.75 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.391 -0.822 . . . . 55.149999999999999 111.321 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.7 3.54 55.17 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.867 1.107 . . . . 36.880000000000003 115.867 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -119.04 13.68 13.03 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 118.655 1.228 . . . . 33.289999999999999 112.752 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -139.73 129.23 24.25 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.712 -0.848 . . . . 37.079999999999998 108.712 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.87 148.5 17.03 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 121.54 0.522 . . . . 27.129999999999999 112.215 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -130.7 118.65 43.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 107.804 -1.184 . . . . 40.310000000000002 107.804 174.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.21 29.53 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.568 -0.825 . . . . 32.299999999999997 113.837 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.5 5.32 89.3 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 115.199 0.839 . . . . 33.960000000000001 115.199 -178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -126.41 157.01 39.66 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.444 1.122 . . . . 44.210000000000001 109.542 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.86 147.03 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 46.719999999999999 110.821 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.57 -0.741 . . . . 58.890000000000001 110.786 179.63 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 94.8 mt -120.22 120.02 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.55 -0.537 . . . . 24.859999999999999 109.55 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.93 127.4 52.64 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.758 0.423 . . . . 21.809999999999999 109.97 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -108.02 127.56 53.88 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.478 -0.934 . . . . 28.350000000000001 108.478 170.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 28.9 mt -116.35 110.05 30.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.029 -1.1 . . . . 21.43 108.029 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -83.3 120.0 25.3 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.989 -0.745 . . . . 28.149999999999999 108.989 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.16 152.77 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.907 -0.775 . . . . 24.280000000000001 108.907 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -70.31 134.83 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.687 -0.688 . . . . 38.939999999999998 109.747 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.85 166.71 12.81 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 122.125 0.964 . . . . 42.590000000000003 110.561 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.89 -5.31 18.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.166 -0.924 . . . . 34.640000000000001 114.471 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' C' ' 207' ' ' HOH . 10.0 mmm180 -83.64 153.43 24.26 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.427 1.113 . . . . 47.549999999999997 110.289 179.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -74.57 165.59 24.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.954 0.883 . . . . 30.670000000000002 110.186 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.05 -26.06 65.67 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.609 -0.836 . . . . 34.640000000000001 111.61 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.03 -44.2 73.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.446 -0.502 . . . . 44.43 111.163 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -63.22 -40.12 96.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.354 -0.538 . . . . 39.460000000000001 111.228 178.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.5 -32.79 70.42 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.336 -0.546 . . . . 28.670000000000002 111.603 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.71 -37.64 79.64 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.905 -0.718 . . . . 44.280000000000001 110.816 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 48.2 m -64.8 -39.95 94.43 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.588 -0.445 . . . . 32.530000000000001 110.891 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 21.7 tp -61.76 -40.33 94.76 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.643 -0.423 . . . . 28.219999999999999 111.268 177.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.61 -39.74 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.54 -0.464 . . . . 27.600000000000001 110.453 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ttp-105 -72.74 -49.37 31.44 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 121.874 -0.516 . . . . 39.229999999999997 111.557 -176.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.82 -38.83 87.19 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.384 -0.526 . . . . 47.439999999999998 111.536 -175.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.47 -45.24 82.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 120.437 -0.505 . . . . 26.09 110.394 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -60.33 -36.79 78.76 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.346 -0.541 . . . . 28.640000000000001 111.116 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' C' ' 201' ' ' HOH . 0.2 OUTLIER -66.69 -38.16 86.2 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.348 -0.541 . . . . 44.719999999999999 111.11 175.166 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.1 65.65 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.389 -0.524 . . . . 31.649999999999999 111.769 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.32 -47.75 76.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.055 0.455 . . . . 30.609999999999999 110.464 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -69.5 -34.44 74.31 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.455 -0.498 . . . . 32.520000000000003 111.493 -177.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -73.34 -36.81 66.23 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.328 -0.549 . . . . 45.859999999999999 111.356 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -74.26 -48.07 31.02 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 122.056 -0.402 . . . . 37.159999999999997 111.472 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 66.6 mt -77.67 -10.23 59.41 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.148 0.796 . . . . 35.009999999999998 113.148 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.66 58.13 5.68 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.493 1.139 . . . . 37.93 110.236 -170.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.23 160.67 27.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.119 -1.401 . . . . 31.239999999999998 108.36 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.6 -41.16 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.591 0.557 . . . . 35.539999999999999 111.001 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 75.8 p -63.19 -13.29 35.62 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.77 0.656 . . . . 35.18 112.77 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -93.67 -3.19 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.939 0.718 . . . . 30.43 112.939 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -89.71 125.97 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 109.168 -0.679 . . . . 29.780000000000001 109.168 -177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.3 134.62 54.96 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.113 -0.699 . . . . 40.560000000000002 109.113 175.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -123.74 132.77 70.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.358 -0.978 . . . . 27.760000000000002 108.358 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.62 121.2 66.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.9 -1.148 . . . . 26.620000000000001 107.9 176.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 21.2 mt -96.78 117.0 40.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 108.158 -1.053 . . . . 27.469999999999999 108.158 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -112.4 113.4 25.58 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.478 -0.934 . . . . 27.710000000000001 108.478 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -82.61 140.93 32.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 29.460000000000001 110.595 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 50.8 mtm -115.28 128.35 56.07 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.771 -0.65 . . . . 31.359999999999999 109.313 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.4 153.4 43.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.178 0.513 . . . . 33.729999999999997 109.648 172.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' C' ' 57' ' ' ALA . 5.7 tptp -60.58 -34.26 73.93 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.366 -0.933 . . . . 49.539999999999999 111.241 -177.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.42 6.67 56.85 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 115.71 1.044 . . . . 28.190000000000001 115.71 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -116.33 -0.14 12.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 118.239 1.02 . . . . 30.91 113.171 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -120.04 122.79 41.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.816 -0.809 . . . . 30.850000000000001 108.816 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.87 141.11 15.21 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.545 -0.622 . . . . 29.920000000000002 111.545 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.7 121.02 46.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 107.522 -1.288 . . . . 38.920000000000002 107.522 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.05 23.55 69.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 37.829999999999998 114.441 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.27 -10.61 74.43 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 117.914 0.857 . . . . 32.210000000000001 115.14 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -117.01 163.41 16.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.4 1.1 . . . . 50.100000000000001 109.92 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.36 141.98 58.58 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.407 -0.815 . . . . 43.439999999999998 109.995 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 57' ' ' ALA . . . . . 0.467 ' O ' ' NZ ' ' C' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 49.909999999999997 112.284 -174.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.591 ' O ' ' NE2' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . 0.574 ' O ' ' OE2' ' C' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 207' ' ' HOH . . . . . 0.528 ' O ' ' NH2' ' C' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mt -121.15 125.55 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.771 -0.455 . . . . 27.789999999999999 109.771 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.6 129.29 55.24 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 109.69 -0.485 . . . . 26.239999999999998 109.69 -177.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.591 ' NE2' ' O ' ' A' ' 102' ' ' HOH . 4.0 tt0 -114.87 120.93 41.62 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.889 -1.152 . . . . 39.93 107.889 171.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 36.1 mt -114.07 113.8 44.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.2 -1.037 . . . . 28.5 108.2 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -86.97 120.91 28.74 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 109.051 -0.722 . . . . 32.990000000000002 109.051 175.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.2 pt -133.66 152.25 34.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.96 -0.756 . . . . 28.670000000000002 108.96 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.4 mt -66.67 138.21 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.715 -0.675 . . . . 35.039999999999999 109.765 171.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -64.16 160.36 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.931 0.872 . . . . 52.119999999999997 110.507 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.99 -18.12 5.62 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.382 -0.826 . . . . 33.359999999999999 114.102 176.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -73.88 153.2 39.96 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.62 0.724 . . . . 42.359999999999999 110.683 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.3 p -78.11 166.51 22.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.976 0.893 . . . . 29.09 110.406 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -62.36 -33.89 75.61 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.417 -0.811 . . . . 35.270000000000003 111.276 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -43.36 85.31 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-O 115.54 -2.172 . . . . 45.479999999999997 108.397 179.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -67.53 -43.38 80.9 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 121.157 1.798 . . . . 37.049999999999997 111.423 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -68.74 -25.82 64.93 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.28 -0.568 . . . . 30.27 111.648 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -70.23 -42.04 72.77 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.146 -0.622 . . . . 50.5 110.931 171.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.2 m -61.36 -37.14 82.3 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.858 -0.337 . . . . 30.289999999999999 111.102 174.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.93 -38.58 91.43 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.47 -0.492 . . . . 28.120000000000001 111.395 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.1 mt -68.78 -41.17 82.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 120.457 -0.497 . . . . 29.489999999999998 110.672 -178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.9 ttm105 -72.84 -43.31 62.79 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.141 -0.624 . . . . 42.740000000000002 111.626 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -67.97 -35.86 79.08 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.386 -0.526 . . . . 41.740000000000002 111.522 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.6 t -71.52 -42.69 72.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 120.131 -0.627 . . . . 23.5 110.512 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 m -61.26 -41.61 97.23 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.442 -0.503 . . . . 25.399999999999999 111.253 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -66.38 -33.01 74.75 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.297 -0.561 . . . . 47.009999999999998 111.39 176.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.23 -40.01 74.74 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.462 -0.495 . . . . 26.41 111.261 177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.2 mt -67.11 -44.29 88.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 120.982 0.42 . . . . 27.199999999999999 110.381 178.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.4 t -63.28 -33.19 74.98 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 121.977 -0.452 . . . . 30.370000000000001 111.347 179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.7 mtm-85 -70.26 -49.19 52.37 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.831 -0.348 . . . . 37.780000000000001 111.278 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.0 m -70.93 -29.86 66.01 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.56 -0.456 . . . . 32.920000000000002 112.163 -171.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.35 -0.77 25.86 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.396 0.887 . . . . 39.659999999999997 113.396 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 32.5 t0 53.79 41.22 32.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.718 0.77 . . . . 51.700000000000003 110.919 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -104.16 151.6 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.876 -0.602 . . . . 39.049999999999997 110.448 -178.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 tp -54.87 -41.51 70.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.686 0.616 . . . . 34.159999999999997 111.353 -178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -64.69 -16.03 62.26 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.643 0.608 . . . . 38.200000000000003 112.643 -179.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.6 p -88.95 -0.91 57.81 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.905 0.706 . . . . 36.119999999999997 112.905 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -99.92 128.21 52.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 108.896 -0.779 . . . . 33.270000000000003 108.896 -177.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.1 mtt85 -122.08 139.74 53.35 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.179 0.592 . . . . 42.729999999999997 109.575 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.7 t -124.32 132.71 70.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 N-CA-C 108.495 -0.928 . . . . 31.809999999999999 108.495 -176.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.7 mt -114.9 128.06 72.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 N-CA-C 108.194 -1.039 . . . . 28.379999999999999 108.194 177.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 9.5 mt -103.21 120.23 52.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 107.985 -1.117 . . . . 32.229999999999997 107.985 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.0 m -115.55 108.61 16.67 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.018 -1.104 . . . . 28.5 108.018 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -78.58 143.67 36.25 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.03 0.443 . . . . 32.670000000000002 110.488 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 52.0 mtm -118.65 127.27 53.43 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 109.029 -0.73 . . . . 33.609999999999999 109.029 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.27 156.48 36.26 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.661 0.743 . . . . 35.149999999999999 109.898 172.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -60.69 -23.83 65.16 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.611 -0.722 . . . . 49.380000000000003 111.829 177.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' HD22 ' A' ' 56' ' ' LEU . . . -86.17 1.97 87.6 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 115.73 1.052 . . . . 31.579999999999998 115.73 176.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -117.15 -4.39 11.44 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 118.36 1.08 . . . . 30.359999999999999 113.7 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -117.21 130.97 56.93 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.837 0.744 . . . . 36.240000000000002 109.299 -178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.85 146.12 18.01 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.65 -0.58 . . . . 35.630000000000003 111.65 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.0 mt -128.64 112.58 26.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 N-CA-C 107.005 -1.48 . . . . 35.719999999999999 107.005 175.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.14 35.28 60.88 Favored Glycine 0 C--O 1.238 0.365 0 C-N-CA 120.43 -0.891 . . . . 33.909999999999997 113.407 -175.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.65 2.86 46.58 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 114.966 0.746 . . . . 33.270000000000003 114.966 -177.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -118.17 141.38 48.56 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.189 0.995 . . . . 46.259999999999998 109.492 -179.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 HD22 ' HA2' ' A' ' 48' ' ' GLY . 1.2 mt -71.64 112.01 7.4 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.863 -0.608 . . . . 48.039999999999999 110.044 -172.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.462 -0.335 . . . . 43.649999999999999 110.587 177.177 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 93.8 mt -127.4 115.9 41.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.617 -0.512 . . . . 28.719999999999999 109.617 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.25 128.7 56.55 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 122.893 0.477 . . . . 27.059999999999999 110.02 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -114.78 122.82 47.55 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.38 -0.971 . . . . 37.799999999999997 108.38 171.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.9 mt -111.68 122.14 65.49 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 N-CA-C 108.304 -0.999 . . . . 24.16 108.304 -177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -93.25 113.38 25.58 Favored 'General case' 0 C--O 1.236 0.374 0 N-CA-C 108.894 -0.78 . . . . 28.289999999999999 108.894 175.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 36.1 pt -125.04 155.57 33.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 N-CA-C 109.153 -0.684 . . . . 26.629999999999999 109.153 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 15.3 mt -72.87 144.75 47.3 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.577 -0.738 . . . . 30.329999999999998 110.319 176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -66.02 158.74 27.52 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.913 0.863 . . . . 38.469999999999999 110.368 176.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.6 -18.55 9.28 Favored Glycine 0 C--O 1.24 0.497 0 CA-C-N 115.428 -0.806 . . . . 45.880000000000003 114.48 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -71.47 155.71 40.28 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 118.366 1.083 . . . . 48.539999999999999 110.408 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.7 p -85.59 172.41 10.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.874 0.845 . . . . 37.149999999999999 110.355 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -63.94 -32.17 73.61 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.485 -0.78 . . . . 45.310000000000002 111.537 178.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -72.27 -42.76 65.21 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.169 -0.613 . . . . 48.590000000000003 111.427 -176.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -63.94 -37.55 87.82 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 120.237 -0.585 . . . . 36.840000000000003 111.242 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -73.86 -30.81 62.85 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.353 -0.539 . . . . 38.920000000000002 111.595 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 63.0 tt0 -68.22 -39.73 82.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.403 -0.519 . . . . 49.390000000000001 110.927 174.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 49.5 m -65.34 -37.42 87.03 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.646 -0.422 . . . . 30.43 110.883 173.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.92 -44.75 94.13 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.905 -0.318 . . . . 31.390000000000001 111.255 -179.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 56.4 mt -63.96 -43.36 97.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 120.691 -0.404 . . . . 29.370000000000001 110.658 -176.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 ttp-105 -72.0 -48.17 46.73 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.283 -0.567 . . . . 41.789999999999999 111.3 -175.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -65.42 -36.47 84.04 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.245 -0.582 . . . . 34.299999999999997 111.475 -176.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.6 t -70.31 -42.97 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 C-N-CA 120.177 -0.609 . . . . 27.52 110.426 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -61.93 -36.29 80.93 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.398 -0.521 . . . . 29.079999999999998 111.168 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -68.3 -41.12 81.39 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.244 -0.582 . . . . 34.390000000000001 111.098 176.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -34.56 78.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.394 -0.523 . . . . 28.690000000000001 111.673 178.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 92.6 mt -70.47 -41.35 78.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 120.395 -0.522 . . . . 30.649999999999999 110.352 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 36.0 t -67.03 -38.07 85.25 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 121.878 -0.514 . . . . 37.409999999999997 111.412 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 42.4 mtm105 -68.29 -50.19 55.36 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.587 -0.445 . . . . 47.329999999999998 111.246 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 17.8 m -67.47 -29.35 68.77 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 112.114 0.412 . . . . 35.469999999999999 112.114 -172.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 85.4 mt -105.55 0.28 26.44 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 113.198 0.814 . . . . 44.689999999999998 113.198 -176.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 54.32 29.39 10.75 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.217 0.532 . . . . 47.490000000000002 111.395 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.57 152.78 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.007 -0.368 . . . . 42.520000000000003 110.007 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 52.3 tp -57.73 -34.62 69.69 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.588 0.555 . . . . 37.950000000000003 111.103 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.4 p -67.04 -19.81 65.75 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 112.711 0.634 . . . . 40.520000000000003 112.711 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 86.7 p -86.66 -5.93 58.99 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 113.065 0.765 . . . . 36.490000000000002 113.065 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -89.59 129.66 40.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.107 -0.701 . . . . 31.100000000000001 109.107 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -122.55 140.67 52.52 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.348 -0.612 . . . . 42.57 109.348 174.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 t -127.69 132.24 69.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 N-CA-C 108.753 -0.832 . . . . 27.190000000000001 108.753 -175.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -117.61 124.64 73.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 108.055 -1.091 . . . . 27.920000000000002 108.055 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.0 mt -102.28 122.87 55.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.304 -0.998 . . . . 33.719999999999999 108.304 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 45.5 m -117.56 115.33 24.92 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.891 -0.781 . . . . 27.699999999999999 108.891 179.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -88.23 140.88 29.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.937 0.399 . . . . 32.530000000000001 110.436 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 38.8 mtm -120.44 130.44 54.32 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 109.13 -0.693 . . . . 33.240000000000002 109.13 179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 157.78 35.14 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.695 0.759 . . . . 30.199999999999999 110.208 173.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -60.24 -35.56 75.75 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.391 -0.822 . . . . 55.149999999999999 111.321 -176.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.7 3.54 55.17 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 115.867 1.107 . . . . 36.880000000000003 115.867 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -119.04 13.68 13.03 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-N 118.655 1.228 . . . . 33.289999999999999 112.752 -176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -139.73 129.23 24.25 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.712 -0.848 . . . . 37.079999999999998 108.712 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -125.87 148.5 17.03 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 121.54 0.522 . . . . 27.129999999999999 112.215 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -130.7 118.65 43.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 107.804 -1.184 . . . . 40.310000000000002 107.804 174.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.21 29.53 75.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.568 -0.825 . . . . 32.299999999999997 113.837 -177.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 79.5 5.32 89.3 Favored Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 115.199 0.839 . . . . 33.960000000000001 115.199 -178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -126.41 157.01 39.66 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.444 1.122 . . . . 44.210000000000001 109.542 -179.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 18.4 mt -72.86 147.03 45.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.466 -0.788 . . . . 46.719999999999999 110.821 179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.57 -0.741 . . . . 58.890000000000001 110.786 179.63 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 94.8 mt -120.22 120.02 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.55 -0.537 . . . . 24.859999999999999 109.55 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.93 127.4 52.64 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.758 0.423 . . . . 21.809999999999999 109.97 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -108.02 127.56 53.88 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 108.478 -0.934 . . . . 28.350000000000001 108.478 170.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 28.9 mt -116.35 110.05 30.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 108.029 -1.1 . . . . 21.43 108.029 -174.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -83.3 120.0 25.3 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.989 -0.745 . . . . 28.149999999999999 108.989 172.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 34.3 pt -131.16 152.77 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.907 -0.775 . . . . 24.280000000000001 108.907 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -70.31 134.83 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.687 -0.688 . . . . 38.939999999999998 109.747 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -66.85 166.71 12.81 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-O 122.125 0.964 . . . . 42.590000000000003 110.561 -177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.89 -5.31 18.47 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.166 -0.924 . . . . 34.640000000000001 114.471 179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' C' ' 207' ' ' HOH . 10.0 mmm180 -83.64 153.43 24.26 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.427 1.113 . . . . 47.549999999999997 110.289 179.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 98.9 p -74.57 165.59 24.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.954 0.883 . . . . 30.670000000000002 110.186 175.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -68.05 -26.06 65.67 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 119.609 -0.836 . . . . 34.640000000000001 111.61 178.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.03 -44.2 73.18 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.446 -0.502 . . . . 44.43 111.163 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.469 HE22 HH21 ' C' ' 11' ' ' ARG . 39.5 mt-30 -63.22 -40.12 96.57 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.354 -0.538 . . . . 39.460000000000001 111.228 178.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.5 -32.79 70.42 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.336 -0.546 . . . . 28.670000000000002 111.603 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.71 -37.64 79.64 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.905 -0.718 . . . . 44.280000000000001 110.816 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' THR . . . . . . . . . . . . . 48.2 m -64.8 -39.95 94.43 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.588 -0.445 . . . . 32.530000000000001 110.891 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 21.7 tp -61.76 -40.33 94.76 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.643 -0.423 . . . . 28.219999999999999 111.268 177.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.61 -39.74 86.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.54 -0.464 . . . . 27.600000000000001 110.453 178.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ttp-105 -72.74 -49.37 31.44 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 121.874 -0.516 . . . . 39.229999999999997 111.557 -176.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -66.82 -38.83 87.19 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.384 -0.526 . . . . 47.439999999999998 111.536 -175.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 t -68.47 -45.24 82.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 120.437 -0.505 . . . . 26.09 110.394 -179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' SER . . . . . . . . . . . . . 14.1 m -60.33 -36.79 78.76 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.346 -0.541 . . . . 28.640000000000001 111.116 178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' GLU . . . . . 0.574 ' OE2' ' O ' ' C' ' 201' ' ' HOH . 0.2 OUTLIER -66.69 -38.16 86.2 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.348 -0.541 . . . . 44.719999999999999 111.11 175.166 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.25 -34.1 65.65 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.389 -0.524 . . . . 31.649999999999999 111.769 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.32 -47.75 76.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.055 0.455 . . . . 30.609999999999999 110.464 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 97.3 p -69.5 -34.44 74.31 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.455 -0.498 . . . . 32.520000000000003 111.493 -177.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 28.8 ttp85 -73.34 -36.81 66.23 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.328 -0.549 . . . . 45.859999999999999 111.356 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' SER . . . . . . . . . . . . . 50.1 m -74.26 -48.07 31.02 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 122.056 -0.402 . . . . 37.159999999999997 111.472 -178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 66.6 mt -77.67 -10.23 59.41 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.148 0.796 . . . . 35.009999999999998 113.148 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 52.66 58.13 5.68 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 122.493 1.139 . . . . 37.93 110.236 -170.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -124.23 160.67 27.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.119 -1.401 . . . . 31.239999999999998 108.36 177.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' 8LJ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 25.6 tp -59.6 -41.16 89.68 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.591 0.557 . . . . 35.539999999999999 111.001 -179.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 75.8 p -63.19 -13.29 35.62 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 112.77 0.656 . . . . 35.18 112.77 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' SER . . . . . . . . . . . . . 87.8 p -93.67 -3.19 52.86 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.939 0.718 . . . . 30.43 112.939 178.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -89.71 125.97 42.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 N-CA-C 109.168 -0.679 . . . . 29.780000000000001 109.168 -177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -115.3 134.62 54.96 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.113 -0.699 . . . . 40.560000000000002 109.113 175.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 54.5 t -123.74 132.77 70.83 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 108.358 -0.978 . . . . 27.760000000000002 108.358 -178.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' ILE . . . . . . . . . . . . . 93.5 mt -118.62 121.2 66.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 107.9 -1.148 . . . . 26.620000000000001 107.9 176.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 21.2 mt -96.78 117.0 40.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 108.158 -1.053 . . . . 27.469999999999999 108.158 176.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 90.2 m -112.4 113.4 25.58 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 108.478 -0.934 . . . . 27.710000000000001 108.478 176.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -82.61 140.93 32.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.057 0.456 . . . . 29.460000000000001 110.595 -179.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' MET . . . . . . . . . . . . . 50.8 mtm -115.28 128.35 56.07 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.771 -0.65 . . . . 31.359999999999999 109.313 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.4 153.4 43.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.178 0.513 . . . . 33.729999999999997 109.648 172.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' LYS . . . . . 0.467 ' NZ ' ' O ' ' C' ' 57' ' ' ALA . 5.7 tptp -60.58 -34.26 73.93 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.366 -0.933 . . . . 49.539999999999999 111.241 -177.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.42 6.67 56.85 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 115.71 1.044 . . . . 28.190000000000001 115.71 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -116.33 -0.14 12.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 118.239 1.02 . . . . 30.91 113.171 -179.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -120.04 122.79 41.9 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 108.816 -0.809 . . . . 30.850000000000001 108.816 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.87 141.11 15.21 Favored Glycine 0 CA--C 1.518 0.26 0 N-CA-C 111.545 -0.622 . . . . 29.920000000000002 111.545 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' ILE . . . . . . . . . . . . . 79.9 mt -131.7 121.02 46.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 107.522 -1.288 . . . . 38.920000000000002 107.522 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.05 23.55 69.68 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 37.829999999999998 114.441 -177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 91.27 -10.61 74.43 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 117.914 0.857 . . . . 32.210000000000001 115.14 -179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -117.01 163.41 16.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.4 1.1 . . . . 50.100000000000001 109.92 -179.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.36 141.98 58.58 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.407 -0.815 . . . . 43.439999999999998 109.995 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.467 ' O ' ' NZ ' ' C' ' 47' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.909 -0.587 . . . . 49.909999999999997 112.284 -174.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.591 ' O ' ' NE2' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . 0.574 ' O ' ' OE2' ' C' ' 25' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 207' ' ' HOH . . . . . 0.528 ' O ' ' NH2' ' C' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_