data_1wq6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1wq6 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 109.837 -0.431 . . . . 82.91 109.837 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . 0.254 70.2 m80 -92.31 -2.83 56.16 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.413 -0.515 . . . . 84.09 111.557 163.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 147.45 26.94 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 122.001 0.905 . . . . 67.64 112.33 171.245 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' NH2' ' B' ' 55' ' ' ARG . 7.4 mt -74.95 147.95 40.44 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 115.924 1.824 . . . . 46.02 115.924 -172.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -65.82 172.36 3.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.355 1.074 . . . . 35.88 110.817 168.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 124.412 2.053 . . . . 41.31 111.272 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -59.56 -44.3 93.33 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 115.001 1.482 . . . . 40.42 115.001 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.01 -37.54 71.86 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 120.089 1.313 . . . . 40.89 114.259 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -68.71 -45.19 72.23 Favored 'General case' 0 C--O 1.254 1.29 0 N-CA-C 107.619 -1.252 . . . . 30.56 107.619 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.09 81.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.726 0.639 . . . . 31.3 112.726 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -58.21 -47.04 84.72 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 124.567 2.127 . . . . 48.63 116.104 170.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -53.23 -51.11 63.24 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 119.727 -1.858 . . . . 51.87 111.961 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -71.06 -33.0 69.85 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 116.708 -1.997 . . . . 29.29 107.238 -172.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -65.45 -37.9 88.24 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 119.954 -1.716 . . . . 55.16 110.2 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -61.3 -39.46 90.57 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.925 -0.559 . . . . 48.33 111.07 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.61 -46.93 83.53 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-O 124.745 2.212 . . . . 32.83 110.473 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.15 -44.61 83.58 Favored 'General case' 0 C--O 1.257 1.473 0 CA-C-N 114.394 -1.276 . . . . 36.69 114.428 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.09 -44.95 79.52 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 116.016 1.858 . . . . 43.72 116.016 170.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -43.88 94.57 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 119.198 -2.189 . . . . 41.07 109.278 175.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.26 -37.95 88.81 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 124.74 2.21 . . . . 28.81 111.71 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.77 -43.59 94.26 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 114.783 -2.532 . . . . 39.01 115.28 173.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.59 -43.56 80.21 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 125.976 2.048 . . . . 53.25 114.096 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.54 -52.04 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 N-CA-C 113.903 1.075 . . . . 30.08 113.903 171.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' MSE . . . . . . . . . . . . . 79.7 mmm -54.14 -45.29 71.94 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.411 1.634 . . . . 56.4 115.411 175.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.52 -46.98 87.26 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 124.769 1.228 . . . . 50.52 110.057 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' MSE . . . . . . . . . . . . . 36.9 mmt -61.99 -40.37 95.4 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.664 -1.235 . . . . 77.19 107.664 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 41.7 t -69.92 -40.69 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 118.941 -2.349 . . . . 33.45 109.89 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . 0.402 6.2 tp10 -76.57 -24.42 53.53 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 102.635 -3.098 . . . . 54.74 102.635 -171.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -66.32 -35.5 80.53 Favored 'General case' 0 CA--C 1.562 1.412 0 O-C-N 117.513 -3.242 . . . . 55.13 115.818 172.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.9 m -60.83 -43.65 97.98 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 120.578 -1.326 . . . . 31.61 110.792 169.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ARG . . . . . 0.661 ' NH2' ' O ' ' A' ' 82' ' ' HOH . 0.8 OUTLIER -64.0 -38.32 90.65 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 124.508 1.123 . . . . 55.37 110.608 -175.512 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -76.93 -41.84 41.76 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 125.354 1.659 . . . . 74.28 112.559 175.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.4 m -54.98 -36.36 65.31 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 122.547 2.431 . . . . 48.74 110.588 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.47 -31.11 66.78 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 114.151 1.167 . . . . 35.97 114.151 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . 0.263 2.3 m -61.42 -46.62 89.38 Favored 'General case' 0 C--O 1.198 -1.615 0 CA-C-O 118.631 -0.7 . . . . 41.66 111.357 174.233 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.44 -37.39 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 N-CA-C 117.785 2.513 . . . . 39.53 117.785 171.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . 0.656 ' CD1' ' O ' ' A' ' 99' ' ' HOH . 6.6 tt -72.85 -37.68 67.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 119.884 -1.76 . . . . 42.39 106.932 -177.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.81 -44.5 90.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 124.607 2.146 . . . . 38.92 111.745 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.4 -51.53 58.56 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 113.071 -1.877 . . . . 72.74 114.265 170.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . 0.962 ' SG ' ' O ' ' A' ' 93' ' ' HOH . 86.9 m -60.42 -39.61 88.04 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 119.16 0.891 . . . . 44.4 110.576 177.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.25 -41.72 80.74 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 118.835 -1.146 . . . . 44.05 108.71 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -63.14 -32.18 73.51 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.956 -1.475 . . . . 41.42 113.55 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -41.91 87.09 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.363 -1.717 . . . . 25.92 106.363 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.21 -45.54 84.33 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-O 123.267 1.508 . . . . 45.74 111.382 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -55.89 -45.83 78.5 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 120.814 -1.179 . . . . 45.27 113.674 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -77.21 -27.79 53.63 Favored 'General case' 0 N--CA 1.403 -2.799 0 O-C-N 121.317 -0.864 . . . . 27.72 111.2 -175.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -67.26 -39.45 86.1 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 119.949 -0.7 . . . . 37.87 109.515 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.78 -46.2 67.49 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.086 1.143 . . . . 34.82 114.086 170.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.81 -35.78 81.65 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 107.163 -1.421 . . . . 45.62 107.163 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -59.47 -48.21 82.54 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.471 1.286 . . . . 28.22 114.471 177.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -73.16 -41.48 63.86 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 106.819 -1.548 . . . . 30.67 106.819 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.6 mt -52.48 -47.43 47.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.268 0.556 . . . . 39.99 112.467 173.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 mtp85 -69.72 -41.47 75.27 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 119.929 -1.732 . . . . 47.42 113.502 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -63.0 -37.51 87.45 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 119.438 -2.039 . . . . 41.61 108.683 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -61.49 -51.03 70.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 114.423 -1.262 . . . . 46.37 109.786 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -55.52 -47.15 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 116.434 -1.746 . . . . 45.28 114.732 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.99 -38.98 71.17 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.29 2.313 . . . . 43.87 112.594 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.9 61.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.909 1.077 . . . . 52.61 113.909 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . 0.373 0.6 OUTLIER . . . . . 0 C--O 1.248 1.007 1 C-N-CA 132.458 4.303 . . . . 68.7 112.004 -171.615 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 N--CA 1.531 3.601 0 N-CA-C 105.586 -2.005 . . . . 53.36 105.586 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.28 -24.72 64.9 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.077 0.941 . . . . 50.5 113.402 -174.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -76.79 140.67 40.8 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.028 -0.987 . . . . 63.39 109.449 -175.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.83 138.48 40.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 125.398 1.686 . . . . 36.4 108.738 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 68.3 p -62.81 171.1 2.26 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-O 123.225 1.488 . . . . 32.11 107.706 167.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.36 -40.69 91.69 Favored 'General case' 0 CA--C 1.489 -1.37 0 N-CA-C 116.096 1.887 . . . . 43.07 116.096 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -62.53 -44.29 96.72 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 116.049 1.87 . . . . 78.22 116.049 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.09 -32.01 71.68 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.107 1.363 . . . . 34.25 110.49 174.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -79.36 -46.09 18.31 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.028 -1.101 . . . . 46.52 108.028 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.1 80.66 Favored 'General case' 0 C--O 1.258 1.525 0 N-CA-C 113.283 0.846 . . . . 31.98 113.283 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -68.42 -33.38 74.11 Favored 'General case' 0 C--O 1.206 -1.188 0 C-N-CA 117.497 -1.681 . . . . 56.49 112.34 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -66.45 -41.81 88.57 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 119.984 -0.686 . . . . 39.66 111.139 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.7 -36.11 81.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.379 1.622 . . . . 37.96 115.379 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 89' ' ' HOH . 0.0 OUTLIER -61.62 -47.97 83.0 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-N 113.574 -1.648 . . . . 58.77 111.874 173.202 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -67.18 -45.15 77.81 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 122.063 0.935 . . . . 29.33 108.655 -174.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.49 -49.3 70.47 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 117.625 -1.63 . . . . 36.39 113.858 171.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.58 -47.28 39.78 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 123.235 1.493 . . . . 40.26 112.405 172.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -67.01 -38.36 85.82 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 114.608 -1.178 . . . . 47.6 110.21 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 72.7 mt -66.05 -38.94 89.63 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.974 -0.75 . . . . 28.59 108.974 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.8 -37.65 64.85 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-O 122.608 1.194 . . . . 31.3 108.07 -173.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.82 -44.27 97.19 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.035 -1.041 . . . . 38.97 113.061 173.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 m -60.19 -40.55 90.42 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.298 -0.876 . . . . 46.4 110.628 174.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.47 -47.36 93.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 O-C-N 119.757 -1.839 . . . . 26.6 107.358 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' MSE . . . . . . . . . . . . . 7.9 mtm -62.54 -46.64 87.45 Favored 'General case' 0 C--O 1.209 -1.062 0 C-N-CA 119.145 -1.022 . . . . 52.86 113.299 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -42.4 -52.5 4.58 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 117.328 2.344 . . . . 35.82 117.328 164.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' MSE . . . . . . . . . . . . . 6.6 mmt -69.66 -30.83 68.6 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.096 -1.628 . . . . 67.08 114.227 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -38.75 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 O-C-N 125.681 1.863 . . . . 25.51 109.581 172.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -72.99 -32.97 65.5 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 118.614 -1.234 . . . . 36.55 112.815 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.93 -34.35 77.26 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 125.251 2.453 . . . . 40.59 108.069 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 79.2 m -69.66 -41.57 75.35 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 118.422 -2.673 . . . . 23.73 106.985 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -61.78 -40.46 95.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.807 1.289 . . . . 36.69 109.647 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -62.11 -42.28 99.07 Favored 'General case' 0 N--CA 1.414 -2.269 0 N-CA-C 116.069 1.877 . . . . 55.39 116.069 174.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 29.9 t -57.7 -46.74 83.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.969 -1.707 . . . . 29.35 112.091 170.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.23 -29.43 69.08 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 115.862 -2.335 . . . . 27.49 113.734 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -59.52 -46.81 87.77 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 120.62 -1.3 . . . . 30.21 110.77 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.09 -51.91 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 114.289 -1.323 . . . . 28.45 112.842 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.8 -36.85 77.6 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.508 -0.769 . . . . 32.39 111.241 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -74.83 -42.26 58.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 116.476 -2.09 . . . . 54.41 111.729 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ARG . . . . . 0.635 ' NH1' ' O ' ' B' ' 102' ' ' HOH . 0.6 OUTLIER -53.87 -40.6 66.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 113.889 1.07 . . . . 54.94 113.889 169.925 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 13.8 t -64.01 -41.71 97.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 120.083 -0.647 . . . . 32.8 112.308 174.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.36 -47.85 82.47 Favored 'General case' 0 C--O 1.183 -2.403 0 CA-C-N 114.043 -1.435 . . . . 27.85 108.247 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.17 -42.78 75.42 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 119.483 1.038 . . . . 35.63 111.631 -174.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.05 83.42 Favored 'General case' 0 N--CA 1.413 -2.304 0 C-N-CA 118.694 -1.203 . . . . 24.07 114.151 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -58.89 -41.2 86.58 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 124.036 1.874 . . . . 43.34 111.963 172.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ARG . . . . . 0.441 ' NH2' ' O ' ' A' ' 14' ' ' LEU . 6.0 tpp180 -67.34 -37.72 83.72 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.196 -1.565 . . . . 57.51 108.6 -175.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.64 -50.12 66.16 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.678 -1.23 . . . . 50.91 107.678 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.36 -44.2 72.0 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 115.683 1.734 . . . . 53.54 115.683 172.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LEU . . . . . . . . . . . . . 46.3 tp -58.0 -51.31 70.19 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 113.29 0.848 . . . . 30.05 113.29 173.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.85 -32.0 73.37 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 119.756 -0.778 . . . . 31.28 111.447 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -65.36 -51.12 62.6 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-O 122.193 0.996 . . . . 38.29 109.806 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' TRP . . . . . . . . . . . . 0.321 99.7 m95 -62.78 -34.09 76.53 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 118.772 2.879 . . . . 37.36 118.772 173.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.45 -52.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 118.944 -2.347 . . . . 35.41 109.582 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -49.81 -53.35 25.89 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 115.376 -2.249 . . . . 32.7 114.049 172.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ARG . . . . . 0.455 ' NH2' ' O ' ' B' ' 87' ' ' HOH . 1.8 mmt180 -44.02 -58.43 2.81 Favored 'General case' 0 C--O 1.257 1.496 0 CA-C-N 121.29 1.859 . . . . 60.21 114.6 167.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -56.53 -47.96 78.27 Favored 'General case' 0 N--CA 1.423 -1.803 0 O-C-N 119.398 -2.063 . . . . 46.16 115.078 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -62.0 -32.52 73.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.804 -1.81 . . . . 45.34 114.433 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.91 -39.41 76.21 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 106.543 -1.651 . . . . 44.06 106.543 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.3 55.73 3.54 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 115.849 1.796 . . . . 58.4 115.849 165.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' GLU . . . . . . . . . . . . 0.271 0.4 OUTLIER . . . . . 0 C--O 1.243 0.728 1 CA-C-O 110.59 -4.528 . . . . 71.26 111.882 -170.71 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . 0.661 ' O ' ' NH2' ' A' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . 0.962 ' O ' ' SG ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . 0.656 ' O ' ' CD1' ' A' ' 47' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' HOH . . . . . 0.455 ' O ' ' NH2' ' B' ' 64' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' HOH . . . . . 0.527 ' O ' ' NZ ' ' B' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.635 ' O ' ' NH1' ' B' ' 49' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 109.837 -0.431 . . . . 82.909999999999997 109.837 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . 0.254 70.2 m80 -92.31 -2.83 56.16 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.413 -0.515 . . . . 84.090000000000003 111.557 163.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' HE ' ' NH1' ' B' ' 55' ' ' ARG . 0.0 OUTLIER -84.66 147.45 26.94 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 122.001 0.905 . . . . 67.640000000000001 112.33 171.245 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' NH2' ' B' ' 55' ' ' ARG . 7.4 mt -74.95 147.95 40.44 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 115.924 1.824 . . . . 46.020000000000003 115.924 -172.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -65.82 172.36 3.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.355 1.074 . . . . 35.880000000000003 110.817 168.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 124.412 2.053 . . . . 41.310000000000002 111.272 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -59.56 -44.3 93.33 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 115.001 1.482 . . . . 40.420000000000002 115.001 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.01 -37.54 71.86 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 120.089 1.313 . . . . 40.890000000000001 114.259 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -68.71 -45.19 72.23 Favored 'General case' 0 C--O 1.254 1.29 0 N-CA-C 107.619 -1.252 . . . . 30.559999999999999 107.619 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.09 81.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.726 0.639 . . . . 31.300000000000001 112.726 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -58.21 -47.04 84.72 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 124.567 2.127 . . . . 48.630000000000003 116.104 170.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -53.23 -51.11 63.24 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 119.727 -1.858 . . . . 51.869999999999997 111.961 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -71.06 -33.0 69.85 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 116.708 -1.997 . . . . 29.289999999999999 107.238 -172.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -65.45 -37.9 88.24 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 119.954 -1.716 . . . . 55.159999999999997 110.2 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -61.3 -39.46 90.57 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.925 -0.559 . . . . 48.329999999999998 111.07 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.61 -46.93 83.53 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-O 124.745 2.212 . . . . 32.829999999999998 110.473 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.15 -44.61 83.58 Favored 'General case' 0 C--O 1.257 1.473 0 CA-C-N 114.394 -1.276 . . . . 36.689999999999998 114.428 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.09 -44.95 79.52 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 116.016 1.858 . . . . 43.719999999999999 116.016 170.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -43.88 94.57 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 119.198 -2.189 . . . . 41.07 109.278 175.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.26 -37.95 88.81 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 124.74 2.21 . . . . 28.809999999999999 111.71 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.77 -43.59 94.26 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 114.783 -2.532 . . . . 39.009999999999998 115.28 173.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.59 -43.56 80.21 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 125.976 2.048 . . . . 53.25 114.096 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.54 -52.04 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 N-CA-C 113.903 1.075 . . . . 30.079999999999998 113.903 171.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' MSE . . . . . 0.561 ' HE1' ' HG2' ' B' ' 34' ' ' MSE . 79.7 mmm -54.14 -45.29 71.94 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.411 1.634 . . . . 56.399999999999999 115.411 175.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.52 -46.98 87.26 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 124.769 1.228 . . . . 50.520000000000003 110.057 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' MSE . . . . . . . . . . . . . 36.9 mmt -61.99 -40.37 95.4 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.664 -1.235 . . . . 77.189999999999998 107.664 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG11 ' HG3' ' B' ' 34' ' ' MSE . 41.7 t -69.92 -40.69 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 118.941 -2.349 . . . . 33.450000000000003 109.89 179.164 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 42' ' ' ARG 0.402 6.2 tp10 -76.57 -24.42 53.53 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 102.635 -3.098 . . . . 54.740000000000002 102.635 -171.724 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -66.32 -35.5 80.53 Favored 'General case' 0 CA--C 1.562 1.412 0 O-C-N 117.513 -3.242 . . . . 55.130000000000003 115.818 172.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.9 m -60.83 -43.65 97.98 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 120.578 -1.326 . . . . 31.609999999999999 110.792 169.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ARG . . . . . 0.661 ' NH2' ' O ' ' A' ' 82' ' ' HOH . 0.8 OUTLIER -64.0 -38.32 90.65 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 124.508 1.123 . . . . 55.369999999999997 110.608 -175.512 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 3.3 mmt85 -76.93 -41.84 41.76 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 125.354 1.659 . . . . 74.280000000000001 112.559 175.736 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.4 m -54.98 -36.36 65.31 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 122.547 2.431 . . . . 48.740000000000002 110.588 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.47 -31.11 66.78 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 114.151 1.167 . . . . 35.969999999999999 114.151 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . 0.263 2.3 m -61.42 -46.62 89.38 Favored 'General case' 0 C--O 1.198 -1.615 0 CA-C-O 118.631 -0.7 . . . . 41.659999999999997 111.357 174.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.44 -37.39 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 N-CA-C 117.785 2.513 . . . . 39.530000000000001 117.785 171.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 99' ' ' HOH . 6.6 tt -72.85 -37.68 67.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 119.884 -1.76 . . . . 42.390000000000001 106.932 -177.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.81 -44.5 90.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 124.607 2.146 . . . . 38.920000000000002 111.745 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.4 -51.53 58.56 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 113.071 -1.877 . . . . 72.739999999999995 114.265 170.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . 0.962 ' SG ' ' O ' ' A' ' 93' ' ' HOH . 86.9 m -60.42 -39.61 88.04 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 119.16 0.891 . . . . 44.399999999999999 110.576 177.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.25 -41.72 80.74 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 118.835 -1.146 . . . . 44.049999999999997 108.71 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -63.14 -32.18 73.51 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.956 -1.475 . . . . 41.420000000000002 113.55 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -41.91 87.09 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.363 -1.717 . . . . 25.920000000000002 106.363 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.21 -45.54 84.33 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-O 123.267 1.508 . . . . 45.740000000000002 111.382 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -55.89 -45.83 78.5 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 120.814 -1.179 . . . . 45.270000000000003 113.674 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -77.21 -27.79 53.63 Favored 'General case' 0 N--CA 1.403 -2.799 0 O-C-N 121.317 -0.864 . . . . 27.719999999999999 111.2 -175.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 60' ' ' TYR . 60.7 tt0 -67.26 -39.45 86.1 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 119.949 -0.7 . . . . 37.869999999999997 109.515 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.78 -46.2 67.49 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.086 1.143 . . . . 34.82 114.086 170.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . 0.414 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.5 m-20 -65.81 -35.78 81.65 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 107.163 -1.421 . . . . 45.619999999999997 107.163 -178.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 62.5 t80 -59.47 -48.21 82.54 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.471 1.286 . . . . 28.219999999999999 114.471 177.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -73.16 -41.48 63.86 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 106.819 -1.548 . . . . 30.670000000000002 106.819 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.6 mt -52.48 -47.43 47.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.268 0.556 . . . . 39.990000000000002 112.467 173.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 2.1 mtp85 -69.72 -41.47 75.27 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 119.929 -1.732 . . . . 47.420000000000002 113.502 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -63.0 -37.51 87.45 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 119.438 -2.039 . . . . 41.609999999999999 108.683 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -61.49 -51.03 70.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 114.423 -1.262 . . . . 46.369999999999997 109.786 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -55.52 -47.15 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 116.434 -1.746 . . . . 45.280000000000001 114.732 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.99 -38.98 71.17 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.29 2.313 . . . . 43.869999999999997 112.594 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.9 61.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.909 1.077 . . . . 52.609999999999999 113.909 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . 0.373 0.6 OUTLIER . . . . . 0 C--O 1.248 1.007 1 C-N-CA 132.458 4.303 . . . . 68.700000000000003 112.004 -171.615 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 N--CA 1.531 3.601 0 N-CA-C 105.586 -2.005 . . . . 53.359999999999999 105.586 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.28 -24.72 64.9 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.077 0.941 . . . . 50.5 113.402 -174.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -76.79 140.67 40.8 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.028 -0.987 . . . . 63.390000000000001 109.449 -175.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.83 138.48 40.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 125.398 1.686 . . . . 36.399999999999999 108.738 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 68.3 p -62.81 171.1 2.26 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-O 123.225 1.488 . . . . 32.109999999999999 107.706 167.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.36 -40.69 91.69 Favored 'General case' 0 CA--C 1.489 -1.37 0 N-CA-C 116.096 1.887 . . . . 43.07 116.096 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' B' ' 96' ' ' HOH . 9.1 mmp_? -62.53 -44.29 96.72 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 116.049 1.87 . . . . 78.219999999999999 116.049 174.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.09 -32.01 71.68 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.107 1.363 . . . . 34.25 110.49 174.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -79.36 -46.09 18.31 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.028 -1.101 . . . . 46.520000000000003 108.028 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.1 80.66 Favored 'General case' 0 C--O 1.258 1.525 0 N-CA-C 113.283 0.846 . . . . 31.98 113.283 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -68.42 -33.38 74.11 Favored 'General case' 0 C--O 1.206 -1.188 0 C-N-CA 117.497 -1.681 . . . . 56.490000000000002 112.34 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -66.45 -41.81 88.57 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 119.984 -0.686 . . . . 39.659999999999997 111.139 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.7 -36.11 81.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.379 1.622 . . . . 37.960000000000001 115.379 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 89' ' ' HOH . 0.0 OUTLIER -61.62 -47.97 83.0 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-N 113.574 -1.648 . . . . 58.770000000000003 111.874 173.202 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -67.18 -45.15 77.81 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 122.063 0.935 . . . . 29.329999999999998 108.655 -174.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.49 -49.3 70.47 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 117.625 -1.63 . . . . 36.390000000000001 113.858 171.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.58 -47.28 39.78 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 123.235 1.493 . . . . 40.259999999999998 112.405 172.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -67.01 -38.36 85.82 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 114.608 -1.178 . . . . 47.600000000000001 110.21 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 72.7 mt -66.05 -38.94 89.63 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.974 -0.75 . . . . 28.59 108.974 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.8 -37.65 64.85 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-O 122.608 1.194 . . . . 31.300000000000001 108.07 -173.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -61.82 -44.27 97.19 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.035 -1.041 . . . . 38.969999999999999 113.061 173.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' CYS . . . . . 0.641 ' O ' ' HG2' ' B' ' 36' ' ' MSE . 6.9 m -60.19 -40.55 90.42 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.298 -0.876 . . . . 46.399999999999999 110.628 174.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.47 -47.36 93.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 O-C-N 119.757 -1.839 . . . . 26.600000000000001 107.358 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' MSE . . . . . 0.561 ' HG2' ' HE1' ' A' ' 34' ' ' MSE . 7.9 mtm -62.54 -46.64 87.45 Favored 'General case' 0 C--O 1.209 -1.062 0 C-N-CA 119.145 -1.022 . . . . 52.859999999999999 113.299 179.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -42.4 -52.5 4.58 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 117.328 2.344 . . . . 35.82 117.328 164.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' MSE . . . . . 0.641 ' HG2' ' O ' ' B' ' 32' ' ' CYS . 6.6 mmt -69.66 -30.83 68.6 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.096 -1.628 . . . . 67.079999999999998 114.227 179.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -38.75 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 O-C-N 125.681 1.863 . . . . 25.510000000000002 109.581 172.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -72.99 -32.97 65.5 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 118.614 -1.234 . . . . 36.549999999999997 112.815 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.93 -34.35 77.26 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 125.251 2.453 . . . . 40.590000000000003 108.069 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 79.2 m -69.66 -41.57 75.35 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 118.422 -2.673 . . . . 23.73 106.985 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -61.78 -40.46 95.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.807 1.289 . . . . 36.689999999999998 109.647 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -62.11 -42.28 99.07 Favored 'General case' 0 N--CA 1.414 -2.269 0 N-CA-C 116.069 1.877 . . . . 55.390000000000001 116.069 174.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 29.9 t -57.7 -46.74 83.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.969 -1.707 . . . . 29.350000000000001 112.091 170.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.23 -29.43 69.08 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 115.862 -2.335 . . . . 27.489999999999998 113.734 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -59.52 -46.81 87.77 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 120.62 -1.3 . . . . 30.210000000000001 110.77 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.09 -51.91 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 114.289 -1.323 . . . . 28.449999999999999 112.842 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.8 -36.85 77.6 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.508 -0.769 . . . . 32.390000000000001 111.241 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -74.83 -42.26 58.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 116.476 -2.09 . . . . 54.409999999999997 111.729 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ARG . . . . . 0.635 ' NH1' ' O ' ' B' ' 102' ' ' HOH . 0.6 OUTLIER -53.87 -40.6 66.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 113.889 1.07 . . . . 54.939999999999998 113.889 169.925 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 13.8 t -64.01 -41.71 97.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 120.083 -0.647 . . . . 32.799999999999997 112.308 174.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.36 -47.85 82.47 Favored 'General case' 0 C--O 1.183 -2.403 0 CA-C-N 114.043 -1.435 . . . . 27.850000000000001 108.247 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.17 -42.78 75.42 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 119.483 1.038 . . . . 35.630000000000003 111.631 -174.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.05 83.42 Favored 'General case' 0 N--CA 1.413 -2.304 0 C-N-CA 118.694 -1.203 . . . . 24.07 114.151 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -58.89 -41.2 86.58 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 124.036 1.874 . . . . 43.340000000000003 111.963 172.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ARG . . . . . 0.613 HH11 HD23 ' B' ' 58' ' ' LEU . 6.0 tpp180 -67.34 -37.72 83.72 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.196 -1.565 . . . . 57.509999999999998 108.6 -175.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.64 -50.12 66.16 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.678 -1.23 . . . . 50.909999999999997 107.678 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.36 -44.2 72.0 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 115.683 1.734 . . . . 53.539999999999999 115.683 172.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LEU . . . . . 0.613 HD23 HH11 ' B' ' 55' ' ' ARG . 46.3 tp -58.0 -51.31 70.19 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 113.29 0.848 . . . . 30.050000000000001 113.29 173.382 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.85 -32.0 73.37 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 119.756 -0.778 . . . . 31.280000000000001 111.447 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -65.36 -51.12 62.6 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-O 122.193 0.996 . . . . 38.289999999999999 109.806 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' TRP . . . . . . . . . . . . 0.321 99.7 m95 -62.78 -34.09 76.53 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 118.772 2.879 . . . . 37.359999999999999 118.772 173.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.45 -52.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 118.944 -2.347 . . . . 35.409999999999997 109.582 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -49.81 -53.35 25.89 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 115.376 -2.249 . . . . 32.700000000000003 114.049 172.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -44.02 -58.43 2.81 Favored 'General case' 0 C--O 1.257 1.496 0 CA-C-N 121.29 1.859 . . . . 60.210000000000001 114.6 167.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -56.53 -47.96 78.27 Favored 'General case' 0 N--CA 1.423 -1.803 0 O-C-N 119.398 -2.063 . . . . 46.159999999999997 115.078 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' SER . . . . . 0.659 ' O ' ' HB2' ' B' ' 69' ' ' GLU . 1.3 t -62.0 -32.52 73.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.804 -1.81 . . . . 45.340000000000003 114.433 177.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.91 -39.41 76.21 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 106.543 -1.651 . . . . 44.060000000000002 106.543 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.3 55.73 3.54 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 115.849 1.796 . . . . 58.399999999999999 115.849 165.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' GLU . . . . . 0.659 ' HB2' ' O ' ' B' ' 66' ' ' SER 0.271 0.4 OUTLIER . . . . . 0 C--O 1.243 0.728 1 CA-C-O 110.59 -4.528 . . . . 71.260000000000005 111.882 -170.71 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . 0.661 ' O ' ' NH2' ' A' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . 0.962 ' O ' ' SG ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . 0.929 ' O ' HD12 ' A' ' 47' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 89' ' ' HOH . . . . . 0.527 ' O ' ' NZ ' ' B' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HOH . . . . . 0.406 ' O ' ' HD3' ' B' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.635 ' O ' ' NH1' ' B' ' 49' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 109.837 -0.431 . . . . 82.91 109.837 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . 0.254 70.2 m80 -92.31 -2.83 56.16 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 120.413 -0.515 . . . . 84.09 111.557 163.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.525 ' HE ' ' NH1' ' B' ' 55' ' ' ARG . 0.0 OUTLIER -84.66 147.45 26.94 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 122.001 0.905 . . . . 67.64 112.33 171.245 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' NH2' ' B' ' 55' ' ' ARG . 7.4 mt -74.95 147.95 40.44 Favored 'General case' 0 C--O 1.244 0.782 0 N-CA-C 115.924 1.824 . . . . 46.02 115.924 -172.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.7 p -65.82 172.36 3.62 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 122.355 1.074 . . . . 35.88 110.817 168.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -58.5 -48.94 79.15 Favored 'General case' 0 C--O 1.253 1.262 0 CA-C-O 124.412 2.053 . . . . 41.31 111.272 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -59.56 -44.3 93.33 Favored 'General case' 0 C--O 1.248 1.011 0 N-CA-C 115.001 1.482 . . . . 40.42 115.001 175.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -57.01 -37.54 71.86 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 120.089 1.313 . . . . 40.89 114.259 174.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -68.71 -45.19 72.23 Favored 'General case' 0 C--O 1.254 1.29 0 N-CA-C 107.619 -1.252 . . . . 30.56 107.619 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.06 -43.09 81.71 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 112.726 0.639 . . . . 31.3 112.726 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -58.21 -47.04 84.72 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 124.567 2.127 . . . . 48.63 116.104 170.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -53.23 -51.11 63.24 Favored 'General case' 0 N--CA 1.424 -1.725 0 O-C-N 119.727 -1.858 . . . . 51.87 111.961 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -71.06 -33.0 69.85 Favored 'General case' 0 C--O 1.194 -1.865 0 C-N-CA 116.708 -1.997 . . . . 29.29 107.238 -172.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -65.45 -37.9 88.24 Favored 'General case' 0 C--O 1.246 0.869 0 O-C-N 119.954 -1.716 . . . . 55.16 110.2 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -61.3 -39.46 90.57 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 118.925 -0.559 . . . . 48.33 111.07 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.61 -46.93 83.53 Favored 'General case' 0 CA--C 1.488 -1.421 0 CA-C-O 124.745 2.212 . . . . 32.83 110.473 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -57.15 -44.61 83.58 Favored 'General case' 0 C--O 1.257 1.473 0 CA-C-N 114.394 -1.276 . . . . 36.69 114.428 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.0 t60 -56.09 -44.95 79.52 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 116.016 1.858 . . . . 43.72 116.016 170.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -43.88 94.57 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 119.198 -2.189 . . . . 41.07 109.278 175.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.26 -37.95 88.81 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 124.74 2.21 . . . . 28.81 111.71 -179.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.77 -43.59 94.26 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-O 114.783 -2.532 . . . . 39.01 115.28 173.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 m -56.59 -43.56 80.21 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 125.976 2.048 . . . . 53.25 114.096 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.54 -52.04 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.695 0 N-CA-C 113.903 1.075 . . . . 30.08 113.903 171.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' MSE . . . . . 0.561 ' HE1' ' HG2' ' B' ' 34' ' ' MSE . 79.7 mmm -54.14 -45.29 71.94 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 115.411 1.634 . . . . 56.4 115.411 175.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.52 -46.98 87.26 Favored 'General case' 0 C--O 1.245 0.828 0 C-N-CA 124.769 1.228 . . . . 50.52 110.057 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' MSE . . . . . . . . . . . . . 36.9 mmt -61.99 -40.37 95.4 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 107.664 -1.235 . . . . 77.19 107.664 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG11 ' HG3' ' B' ' 34' ' ' MSE . 41.7 t -69.92 -40.69 79.06 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 O-C-N 118.941 -2.349 . . . . 33.45 109.89 179.164 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 42' ' ' ARG 0.402 6.2 tp10 -76.57 -24.42 53.53 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 102.635 -3.098 . . . . 54.74 102.635 -171.724 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -66.32 -35.5 80.53 Favored 'General case' 0 CA--C 1.562 1.412 0 O-C-N 117.513 -3.242 . . . . 55.13 115.818 172.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.9 m -60.83 -43.65 97.98 Favored 'General case' 0 C--N 1.315 -0.933 0 O-C-N 120.578 -1.326 . . . . 31.61 110.792 169.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.661 ' NH2' ' O ' ' A' ' 82' ' ' HOH . 0.8 OUTLIER -64.0 -38.32 90.65 Favored 'General case' 0 CA--C 1.483 -1.632 0 C-N-CA 124.508 1.123 . . . . 55.37 110.608 -175.512 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 38' ' ' GLU . 3.3 mmt85 -76.93 -41.84 41.76 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 125.354 1.659 . . . . 74.28 112.559 175.736 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.4 m -54.98 -36.36 65.31 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 122.547 2.431 . . . . 48.74 110.588 172.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.47 -31.11 66.78 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 114.151 1.167 . . . . 35.97 114.151 -177.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . 0.263 2.3 m -61.42 -46.62 89.38 Favored 'General case' 0 C--O 1.198 -1.615 0 CA-C-O 118.631 -0.7 . . . . 41.66 111.357 174.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.3 t -63.44 -37.39 79.41 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 N-CA-C 117.785 2.513 . . . . 39.53 117.785 171.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.929 HD12 ' O ' ' A' ' 99' ' ' HOH . 6.6 tt -72.85 -37.68 67.34 Favored 'General case' 0 C--O 1.211 -0.926 0 O-C-N 119.884 -1.76 . . . . 42.39 106.932 -177.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -58.81 -44.5 90.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 124.607 2.146 . . . . 38.92 111.745 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -52.4 -51.53 58.56 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 113.071 -1.877 . . . . 72.74 114.265 170.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.962 ' SG ' ' O ' ' A' ' 93' ' ' HOH . 86.9 m -60.42 -39.61 88.04 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 119.16 0.891 . . . . 44.4 110.576 177.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.25 -41.72 80.74 Favored 'General case' 0 C--O 1.254 1.298 0 C-N-CA 118.835 -1.146 . . . . 44.05 108.71 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -63.14 -32.18 73.51 Favored 'General case' 0 C--O 1.253 1.286 0 CA-C-N 113.956 -1.475 . . . . 41.42 113.55 178.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -41.91 87.09 Favored 'General case' 0 N--CA 1.428 -1.526 0 N-CA-C 106.363 -1.717 . . . . 25.92 106.363 -179.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.21 -45.54 84.33 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-O 123.267 1.508 . . . . 45.74 111.382 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -55.89 -45.83 78.5 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 120.814 -1.179 . . . . 45.27 113.674 179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -77.21 -27.79 53.63 Favored 'General case' 0 N--CA 1.403 -2.799 0 O-C-N 121.317 -0.864 . . . . 27.72 111.2 -175.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 60' ' ' TYR . 60.7 tt0 -67.26 -39.45 86.1 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 119.949 -0.7 . . . . 37.87 109.515 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 20.2 tp -52.78 -46.2 67.49 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.086 1.143 . . . . 34.82 114.086 170.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.414 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 94.5 m-20 -65.81 -35.78 81.65 Favored 'General case' 0 C--O 1.246 0.879 0 N-CA-C 107.163 -1.421 . . . . 45.62 107.163 -178.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 57' ' ' GLU . 62.5 t80 -59.47 -48.21 82.54 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.471 1.286 . . . . 28.22 114.471 177.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 35.0 m95 -73.16 -41.48 63.86 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 106.819 -1.548 . . . . 30.67 106.819 -173.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.6 mt -52.48 -47.43 47.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-O 121.268 0.556 . . . . 39.99 112.467 173.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 59' ' ' ASN . 2.1 mtp85 -69.72 -41.47 75.27 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 119.929 -1.732 . . . . 47.42 113.502 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -63.0 -37.51 87.45 Favored 'General case' 0 C--O 1.255 1.395 0 O-C-N 119.438 -2.039 . . . . 41.61 108.683 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -61.49 -51.03 70.37 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 114.423 -1.262 . . . . 46.37 109.786 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 m -55.52 -47.15 76.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 116.434 -1.746 . . . . 45.28 114.732 173.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.99 -38.98 71.17 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 122.29 2.313 . . . . 43.87 112.594 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.62 -13.9 61.08 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.909 1.077 . . . . 52.61 113.909 -179.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . 0.373 0.6 OUTLIER . . . . . 0 C--O 1.248 1.007 1 C-N-CA 132.458 4.303 . . . . 68.7 112.004 -171.615 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 N--CA 1.531 3.601 0 N-CA-C 105.586 -2.005 . . . . 53.36 105.586 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -68.28 -24.72 64.9 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 122.077 0.941 . . . . 50.5 113.402 -174.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtm180 -76.79 140.67 40.8 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.028 -0.987 . . . . 63.39 109.449 -175.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.83 138.48 40.37 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 125.398 1.686 . . . . 36.4 108.738 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' THR . . . . . . . . . . . . . 68.3 p -62.81 171.1 2.26 Favored 'General case' 0 C--O 1.259 1.579 0 CA-C-O 123.225 1.488 . . . . 32.11 107.706 167.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.36 -40.69 91.69 Favored 'General case' 0 CA--C 1.489 -1.37 0 N-CA-C 116.096 1.887 . . . . 43.07 116.096 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' B' ' 96' ' ' HOH . 9.1 mmp_? -62.53 -44.29 96.72 Favored 'General case' 0 C--O 1.252 1.235 0 N-CA-C 116.049 1.87 . . . . 78.22 116.049 174.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -61.09 -32.01 71.68 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.107 1.363 . . . . 34.25 110.49 174.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 t90 -79.36 -46.09 18.31 Favored 'General case' 0 N--CA 1.437 -1.082 0 N-CA-C 108.028 -1.101 . . . . 46.52 108.028 -173.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.69 -38.1 80.66 Favored 'General case' 0 C--O 1.258 1.525 0 N-CA-C 113.283 0.846 . . . . 31.98 113.283 170.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -68.42 -33.38 74.11 Favored 'General case' 0 C--O 1.206 -1.188 0 C-N-CA 117.497 -1.681 . . . . 56.49 112.34 177.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -66.45 -41.81 88.57 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 119.984 -0.686 . . . . 39.66 111.139 -179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.7 -36.11 81.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 115.379 1.622 . . . . 37.96 115.379 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 89' ' ' HOH . 0.0 OUTLIER -61.62 -47.97 83.0 Favored 'General case' 0 CA--C 1.486 -1.487 0 CA-C-N 113.574 -1.648 . . . . 58.77 111.874 173.202 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -67.18 -45.15 77.81 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 122.063 0.935 . . . . 29.33 108.655 -174.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.49 -49.3 70.47 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 117.625 -1.63 . . . . 36.39 113.858 171.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.58 -47.28 39.78 Favored 'General case' 0 C--O 1.249 1.034 0 CA-C-O 123.235 1.493 . . . . 40.26 112.405 172.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -67.01 -38.36 85.82 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 114.608 -1.178 . . . . 47.6 110.21 -176.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 72.7 mt -66.05 -38.94 89.63 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 108.974 -0.75 . . . . 28.59 108.974 -177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 81.4 mt -73.8 -37.65 64.85 Favored 'General case' 0 C--O 1.208 -1.103 0 CA-C-O 122.608 1.194 . . . . 31.3 108.07 -173.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -61.82 -44.27 97.19 Favored 'General case' 0 C--N 1.309 -1.176 0 O-C-N 121.035 -1.041 . . . . 38.97 113.061 173.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' CYS . . . . . 0.641 ' O ' ' HG2' ' B' ' 36' ' ' MSE . 6.9 m -60.19 -40.55 90.42 Favored 'General case' 0 C--O 1.195 -1.77 0 O-C-N 121.298 -0.876 . . . . 46.4 110.628 174.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.47 -47.36 93.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 O-C-N 119.757 -1.839 . . . . 26.6 107.358 -179.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' MSE . . . . . 0.561 ' HG2' ' HE1' ' A' ' 34' ' ' MSE . 7.9 mtm -62.54 -46.64 87.45 Favored 'General case' 0 C--O 1.209 -1.062 0 C-N-CA 119.145 -1.022 . . . . 52.86 113.299 179.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -42.4 -52.5 4.58 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 117.328 2.344 . . . . 35.82 117.328 164.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' MSE . . . . . 0.641 ' HG2' ' O ' ' B' ' 32' ' ' CYS . 6.6 mmt -69.66 -30.83 68.6 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.096 -1.628 . . . . 67.08 114.227 179.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.8 t -65.25 -38.75 83.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 O-C-N 125.681 1.863 . . . . 25.51 109.581 172.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -72.99 -32.97 65.5 Favored 'General case' 0 C--O 1.24 0.556 0 C-N-CA 118.614 -1.234 . . . . 36.55 112.815 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -62.93 -34.35 77.26 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 125.251 2.453 . . . . 40.59 108.069 173.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 79.2 m -69.66 -41.57 75.35 Favored 'General case' 0 C--O 1.244 0.787 0 O-C-N 118.422 -2.673 . . . . 23.73 106.985 179.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.6 ttm-85 -61.78 -40.46 95.28 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 122.807 1.289 . . . . 36.69 109.647 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -62.11 -42.28 99.07 Favored 'General case' 0 N--CA 1.414 -2.269 0 N-CA-C 116.069 1.877 . . . . 55.39 116.069 174.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 29.9 t -57.7 -46.74 83.94 Favored 'General case' 0 N--CA 1.443 -0.782 0 O-C-N 119.969 -1.707 . . . . 29.35 112.091 170.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -67.23 -29.43 69.08 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 115.862 -2.335 . . . . 27.49 113.734 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 19.1 m -59.52 -46.81 87.77 Favored 'General case' 0 C--O 1.236 0.362 0 O-C-N 120.62 -1.3 . . . . 30.21 110.77 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 61.6 t -55.09 -51.91 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 114.289 -1.323 . . . . 28.45 112.842 174.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 49.7 mt -59.8 -36.85 77.6 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.508 -0.769 . . . . 32.39 111.241 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.9 ttp85 -74.83 -42.26 58.35 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 116.476 -2.09 . . . . 54.41 111.729 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ARG . . . . . 0.635 ' NH1' ' O ' ' B' ' 102' ' ' HOH . 0.6 OUTLIER -53.87 -40.6 66.72 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 113.889 1.07 . . . . 54.94 113.889 169.925 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 13.8 t -64.01 -41.71 97.38 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 120.083 -0.647 . . . . 32.8 112.308 174.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -58.36 -47.85 82.47 Favored 'General case' 0 C--O 1.183 -2.403 0 CA-C-N 114.043 -1.435 . . . . 27.85 108.247 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -69.17 -42.78 75.42 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 119.483 1.038 . . . . 35.63 111.631 -174.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.05 83.42 Favored 'General case' 0 N--CA 1.413 -2.304 0 C-N-CA 118.694 -1.203 . . . . 24.07 114.151 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -58.89 -41.2 86.58 Favored 'General case' 0 C--O 1.247 0.945 0 CA-C-O 124.036 1.874 . . . . 43.34 111.963 172.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ARG . . . . . 0.613 HH11 HD23 ' B' ' 58' ' ' LEU . 6.0 tpp180 -67.34 -37.72 83.72 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.196 -1.565 . . . . 57.51 108.6 -175.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.64 -50.12 66.16 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 107.678 -1.23 . . . . 50.91 107.678 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.36 -44.2 72.0 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 115.683 1.734 . . . . 53.54 115.683 172.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.613 HD23 HH11 ' B' ' 55' ' ' ARG . 46.3 tp -58.0 -51.31 70.19 Favored 'General case' 0 C--O 1.249 1.028 0 N-CA-C 113.29 0.848 . . . . 30.05 113.29 173.382 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -63.85 -32.0 73.37 Favored 'General case' 0 N--CA 1.421 -1.878 0 C-N-CA 119.756 -0.778 . . . . 31.28 111.447 -178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -65.36 -51.12 62.6 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-O 122.193 0.996 . . . . 38.29 109.806 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' TRP . . . . . . . . . . . . 0.321 99.7 m95 -62.78 -34.09 76.53 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 118.772 2.879 . . . . 37.36 118.772 173.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -61.45 -52.66 58.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 118.944 -2.347 . . . . 35.41 109.582 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -49.81 -53.35 25.89 Favored 'General case' 0 C--O 1.208 -1.128 0 CA-C-O 115.376 -2.249 . . . . 32.7 114.049 172.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -44.02 -58.43 2.81 Favored 'General case' 0 C--O 1.257 1.496 0 CA-C-N 121.29 1.859 . . . . 60.21 114.6 167.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -56.53 -47.96 78.27 Favored 'General case' 0 N--CA 1.423 -1.803 0 O-C-N 119.398 -2.063 . . . . 46.16 115.078 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' SER . . . . . 0.659 ' O ' ' HB2' ' B' ' 69' ' ' GLU . 1.3 t -62.0 -32.52 73.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 O-C-N 119.804 -1.81 . . . . 45.34 114.433 177.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.91 -39.41 76.21 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 106.543 -1.651 . . . . 44.06 106.543 177.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.3 55.73 3.54 Favored 'General case' 0 CA--C 1.564 1.497 0 N-CA-C 115.849 1.796 . . . . 58.4 115.849 165.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' GLU . . . . . 0.659 ' HB2' ' O ' ' B' ' 66' ' ' SER 0.271 0.4 OUTLIER . . . . . 0 C--O 1.243 0.728 1 CA-C-O 110.59 -4.528 . . . . 71.26 111.882 -170.71 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . 0.661 ' O ' ' NH2' ' A' ' 41' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . 0.962 ' O ' ' SG ' ' A' ' 50' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . 0.929 ' O ' HD12 ' A' ' 47' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' HOH . . . . . 0.527 ' O ' ' NZ ' ' B' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HOH . . . . . 0.406 ' O ' ' HD3' ' B' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.635 ' O ' ' NH1' ' B' ' 49' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_