data_1zik_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 1zik _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 ' 1' ' ' ARG . . . . . . . . . . . . 0.305 0.0 OUTLIER . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 121.487 0.661 . . . . 100.0 111.677 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . 0.401 ' CE ' ' SD ' ' B' ' 2' ' ' MET . 4.0 tpp -77.62 -39.46 45.29 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 114.594 -2.843 . . . . 79.959999999999994 103.468 177.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -62.08 -40.24 95.13 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.975 -1.466 . . . . 94.359999999999999 111.192 178.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.41 -31.89 73.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.672 -0.695 . . . . 100.0 111.093 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' CD1' ' CE ' ' B' ' 2' ' ' MET . 34.3 mt -76.15 -38.49 56.67 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 117.918 -1.513 . . . . 38.359999999999999 108.47 179.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.9 -54.03 50.91 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 124.948 1.405 . . . . 48.130000000000003 111.625 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -53.73 -35.98 61.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.373 1.082 . . . . 46.380000000000003 111.371 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -41.34 84.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.909 -1.041 . . . . 92.180000000000007 112.459 -179.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.8 -42.27 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.002 0 CA-C-O 123.052 1.406 . . . . 28.010000000000002 107.414 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.33 -52.72 62.55 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-O 123.129 1.442 . . . . 69.790000000000006 111.35 -179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -52.88 -50.73 63.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 113.539 -1.664 . . . . 63.030000000000001 112.324 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -67.61 -28.05 67.42 Favored 'General case' 0 CA--C 1.47 -2.129 0 CA-C-O 117.111 -1.423 . . . . 34.200000000000003 111.508 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.7 -48.11 73.13 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 125.967 2.042 . . . . 52.18 108.152 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -53.39 -61.81 2.06 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 112.641 -2.072 . . . . 67.810000000000002 109.282 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -52.17 -40.35 61.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 125.805 2.717 . . . . 64.739999999999995 110.322 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -63.02 -39.36 94.51 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 114.507 -2.877 . . . . 55.049999999999997 111.298 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.33 -36.56 84.1 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 123.735 1.731 . . . . 48.280000000000001 112.957 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -60.72 -49.6 76.84 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 112.13 -2.305 . . . . 81.409999999999997 109.645 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.25 -37.97 82.02 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 114.732 -1.122 . . . . 37.979999999999997 111.895 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -74.33 -34.52 63.47 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 118.366 -1.333 . . . . 47.979999999999997 111.401 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -60.55 -50.06 75.07 Favored 'General case' 0 CA--C 1.565 1.52 0 CA-C-O 123.357 1.551 . . . . 45.969999999999999 107.629 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.41 -42.76 74.55 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 120.291 -1.506 . . . . 100.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.0 -33.87 66.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.582 -0.847 . . . . 56.670000000000002 110.226 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.67 -49.08 78.95 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 124.666 2.174 . . . . 53.509999999999998 110.194 -179.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 60.8 ttp85 -58.01 -44.1 87.05 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 109.901 -3.318 . . . . 68.269999999999996 113.064 179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.4 mt -74.69 -30.95 61.74 Favored 'General case' 0 C--N 1.365 1.274 0 O-C-N 125.419 1.699 . . . . 60.32 109.284 -178.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -11.73 61.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.4 -1.727 . . . . 100.0 109.621 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . 0.417 6.1 mttt -99.74 -8.26 24.5 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.484 0.92 . . . . 100.0 113.484 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . 0.34 16.7 mt -102.23 6.47 40.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.007 1.323 . . . . 73.799999999999997 109.134 178.131 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.293 11.1 t . . . . . 0 C--O 1.252 1.208 0 N-CA-C 115.519 1.674 . . . . 100.0 115.519 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . 0.645 ' NH2' ' O ' ' B' ' 82' ' ' HOH 0.276 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.469 0.544 . . . . 97.650000000000006 112.469 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . 0.406 ' CE ' ' CD1' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -39.94 -53.75 2.29 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 114.435 1.272 . . . . 77.370000000000005 114.435 -179.254 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . 0.315 50.5 tttt -64.41 -36.46 84.22 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 114.904 1.446 . . . . 100.0 114.904 -179.551 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . 0.562 ' NE2' ' N ' ' B' ' 1' ' ' ARG . 7.8 mt-30 -64.07 -48.0 77.93 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 122.276 1.036 . . . . 100.0 109.962 178.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.4 -44.74 80.57 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.536 -2.12 . . . . 39.920000000000002 106.798 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 CA--C 1.461 -2.475 0 CA-C-O 122.384 1.088 . . . . 52.409999999999997 110.463 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.02 -35.54 72.06 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.625 -1.17 . . . . 55.619999999999997 112.692 179.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -64.13 -53.5 48.55 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.949 -1.5 . . . . 62.340000000000003 106.949 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -48.5 -50.87 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 O-C-N 121.01 -1.056 . . . . 30.449999999999999 111.473 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.03 -36.04 80.38 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.127 -2.233 . . . . 100.0 113.878 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . 0.443 ' CG ' ' NZ ' ' B' ' 15' ' ' LYS . 9.1 tt0 -72.62 -37.62 68.0 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.789 -1.096 . . . . 100.0 111.795 -178.177 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.92 -41.11 75.08 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 113.694 -1.594 . . . . 45.979999999999997 109.172 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.05 -35.84 79.83 Favored 'General case' 0 C--O 1.266 1.961 0 CA-C-O 122.456 1.122 . . . . 62.530000000000001 111.923 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -64.6 -38.95 92.77 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 123.227 1.489 . . . . 57.710000000000001 110.42 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 0.443 ' NZ ' ' CG ' ' B' ' 11' ' ' GLU . 12.8 mtmm -64.17 -46.76 82.58 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 123.87 1.795 . . . . 100.0 110.873 179.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -52.51 -50.8 62.07 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.307 -1.77 . . . . 69.310000000000002 110.038 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -63.29 -34.35 77.5 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 119.965 -0.694 . . . . 47.710000000000001 112.617 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.78 -39.61 91.14 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.553 1.158 . . . . 56.490000000000002 110.075 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.07 -46.82 61.2 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 124.525 1.14 . . . . 46.960000000000001 110.842 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.54 -41.58 81.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.971 -1.705 . . . . 43.789999999999999 111.232 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -68.69 -34.29 75.41 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 119.955 -1.716 . . . . 78.819999999999993 111.176 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -67.89 -41.54 82.59 Favored 'General case' 0 CA--C 1.483 -1.632 0 O-C-N 119.749 -1.845 . . . . 91.920000000000002 107.727 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.37 -44.68 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-N 112.503 -2.135 . . . . 62.310000000000002 112.203 -178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.35 70.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.612 -1.176 . . . . 69.069999999999993 112.357 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 mtm105 -75.29 -46.23 34.86 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.281 -0.872 . . . . 100.0 111.381 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . 0.261 23.2 mt -60.0 -52.18 66.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.293 -0.867 . . . . 57.409999999999997 110.607 -178.829 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -53.8 -41.73 67.6 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.915 -1.039 . . . . 100.0 109.618 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -56.45 -39.53 73.29 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 118.404 -1.318 . . . . 100.0 110.665 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.06 -17.35 59.68 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.179 1.548 . . . . 63.670000000000002 115.179 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 123.991 1.853 . . . . 100.0 109.457 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' 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 ' 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 ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' 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 ' 82' ' ' HOH . . . . . 0.645 ' O ' ' NH2' ' B' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . 0.649 ' HG3' ' O ' ' A' ' 1' ' ' ARG 0.305 0.0 OUTLIER . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 121.487 0.661 . . . . 100.0 111.677 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . 0.975 ' HA ' ' HE1' ' B' ' 2' ' ' MET . 4.0 tpp -77.62 -39.46 45.29 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 114.594 -2.843 . . . . 79.96 103.468 177.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HE3' ' OD1' ' A' ' 7' ' ' ASP . 4.3 tptt -62.08 -40.24 95.13 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.975 -1.466 . . . . 94.36 111.192 178.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.41 -31.89 73.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.672 -0.695 . . . . 100.0 111.093 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.936 HD12 ' HE2' ' B' ' 2' ' ' MET . 34.3 mt -76.15 -38.49 56.67 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 117.918 -1.513 . . . . 38.36 108.47 179.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.9 -54.03 50.91 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 124.948 1.405 . . . . 48.13 111.625 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' OD1' ' HE3' ' A' ' 3' ' ' LYS . 87.6 m-20 -53.73 -35.98 61.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.373 1.082 . . . . 46.38 111.371 177.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -41.34 84.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.909 -1.041 . . . . 92.18 112.459 -179.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.8 -42.27 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.002 0 CA-C-O 123.052 1.406 . . . . 28.01 107.414 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.33 -52.72 62.55 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-O 123.129 1.442 . . . . 69.79 111.35 -179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -52.88 -50.73 63.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 113.539 -1.664 . . . . 63.03 112.324 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -67.61 -28.05 67.42 Favored 'General case' 0 CA--C 1.47 -2.129 0 CA-C-O 117.111 -1.423 . . . . 34.2 111.508 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.7 -48.11 73.13 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 125.967 2.042 . . . . 52.18 108.152 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -53.39 -61.81 2.06 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 112.641 -2.072 . . . . 67.81 109.282 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -52.17 -40.35 61.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 125.805 2.717 . . . . 64.74 110.322 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -63.02 -39.36 94.51 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 114.507 -2.877 . . . . 55.05 111.298 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.33 -36.56 84.1 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 123.735 1.731 . . . . 48.28 112.957 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -60.72 -49.6 76.84 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 112.13 -2.305 . . . . 81.41 109.645 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' VAL . 48.8 mt -60.25 -37.97 82.02 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 114.732 -1.122 . . . . 37.98 111.895 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -74.33 -34.52 63.47 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 118.366 -1.333 . . . . 47.98 111.401 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -60.55 -50.06 75.07 Favored 'General case' 0 CA--C 1.565 1.52 0 CA-C-O 123.357 1.551 . . . . 45.97 107.629 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.41 -42.76 74.55 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 120.291 -1.506 . . . . 100.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.49 HG22 HG23 ' B' ' 23' ' ' VAL . 58.6 t -65.0 -33.87 66.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.582 -0.847 . . . . 56.67 110.226 -178.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -60.67 -49.08 78.95 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 124.666 2.174 . . . . 53.51 110.194 -179.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' NH2' HD21 ' A' ' 26' ' ' LEU . 60.8 ttp85 -58.01 -44.1 87.05 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 109.901 -3.318 . . . . 68.27 113.064 179.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD21 ' NH2' ' A' ' 25' ' ' ARG . 84.4 mt -74.69 -30.95 61.74 Favored 'General case' 0 C--N 1.365 1.274 0 O-C-N 125.419 1.699 . . . . 60.32 109.284 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -11.73 61.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.4 -1.727 . . . . 100.0 109.621 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 24' ' ' ALA 0.417 6.1 mttt -99.74 -8.26 24.5 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.484 0.92 . . . . 100.0 113.484 179.62 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . 0.34 16.7 mt -102.23 6.47 40.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.007 1.323 . . . . 73.8 109.134 178.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.293 11.1 t . . . . . 0 C--O 1.252 1.208 0 N-CA-C 115.519 1.674 . . . . 100.0 115.519 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.557 ' NH2' ' O ' ' B' ' 82' ' ' HOH 0.276 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.469 0.544 . . . . 97.65 112.469 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.975 ' HE1' ' HA ' ' A' ' 2' ' ' MET . 0.6 OUTLIER -39.94 -53.75 2.29 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 114.435 1.272 . . . . 77.37 114.435 -179.254 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.467 ' HB3' ' HE ' ' B' ' 1' ' ' ARG 0.315 50.5 tttt -64.41 -36.46 84.22 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 114.904 1.446 . . . . 100.0 114.904 -179.551 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.551 ' H ' ' HD3' ' B' ' 1' ' ' ARG . 27.0 mt-30 -64.07 -48.0 77.93 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 122.276 1.036 . . . . 100.0 109.962 178.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.4 -44.74 80.57 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.536 -2.12 . . . . 39.92 106.798 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 CA--C 1.461 -2.475 0 CA-C-O 122.384 1.088 . . . . 52.41 110.463 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.02 -35.54 72.06 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.625 -1.17 . . . . 55.62 112.692 179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -64.13 -53.5 48.55 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.949 -1.5 . . . . 62.34 106.949 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -48.5 -50.87 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 O-C-N 121.01 -1.056 . . . . 30.45 111.473 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.03 -36.04 80.38 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.127 -2.233 . . . . 100.0 113.878 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . 0.478 ' HG2' ' CE ' ' B' ' 15' ' ' LYS . 9.1 tt0 -72.62 -37.62 68.0 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.789 -1.096 . . . . 100.0 111.795 -178.177 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.92 -41.11 75.08 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 113.694 -1.594 . . . . 45.98 109.172 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.05 -35.84 79.83 Favored 'General case' 0 C--O 1.266 1.961 0 CA-C-O 122.456 1.122 . . . . 62.53 111.923 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -64.6 -38.95 92.77 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 123.227 1.489 . . . . 57.71 110.42 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.478 ' CE ' ' HG2' ' B' ' 11' ' ' GLU . 12.8 mtmm -64.17 -46.76 82.58 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 123.87 1.795 . . . . 100.0 110.873 179.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -52.51 -50.8 62.07 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.307 -1.77 . . . . 69.31 110.038 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -63.29 -34.35 77.5 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 119.965 -0.694 . . . . 47.71 112.617 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.78 -39.61 91.14 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.553 1.158 . . . . 56.49 110.075 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.07 -46.82 61.2 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 124.525 1.14 . . . . 46.96 110.842 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.54 -41.58 81.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.971 -1.705 . . . . 43.79 111.232 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -68.69 -34.29 75.41 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 119.955 -1.716 . . . . 78.82 111.176 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -67.89 -41.54 82.59 Favored 'General case' 0 CA--C 1.483 -1.632 0 O-C-N 119.749 -1.845 . . . . 91.92 107.727 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 23' ' ' VAL . 2.6 t -57.37 -44.68 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-N 112.503 -2.135 . . . . 62.31 112.203 -178.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.35 70.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.612 -1.176 . . . . 69.07 112.357 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 mtm105 -75.29 -46.23 34.86 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.281 -0.872 . . . . 100.0 111.381 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . 0.261 23.2 mt -60.0 -52.18 66.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.293 -0.867 . . . . 57.41 110.607 -178.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -53.8 -41.73 67.6 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.915 -1.039 . . . . 100.0 109.618 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -56.45 -39.53 73.29 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 118.404 -1.318 . . . . 100.0 110.665 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.06 -17.35 59.68 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.179 1.548 . . . . 63.67 115.179 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 123.991 1.853 . . . . 100.0 109.457 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' 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 ' 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 ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 73' ' ' 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 ' 82' ' ' HOH . . . . . 0.557 ' O ' ' NH2' ' B' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.649 ' O ' ' HG3' ' A' ' 1' ' ' ARG 0.305 0.0 OUTLIER . . . . . 0 CA--C 1.507 -0.674 0 CA-C-O 121.487 0.661 . . . . 100.0 111.677 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . 0.975 ' HA ' ' HE1' ' B' ' 2' ' ' MET . 4.0 tpp -77.62 -39.46 45.29 Favored 'General case' 0 N--CA 1.419 -1.985 0 C-N-CA 114.594 -2.843 . . . . 79.959999999999994 103.468 177.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.429 ' HE3' ' OD1' ' A' ' 7' ' ' ASP . 4.3 tptt -62.08 -40.24 95.13 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-N 113.975 -1.466 . . . . 94.359999999999999 111.192 178.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.41 -31.89 73.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 115.672 -0.695 . . . . 100.0 111.093 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.936 HD12 ' HE2' ' B' ' 2' ' ' MET . 34.3 mt -76.15 -38.49 56.67 Favored 'General case' 0 N--CA 1.425 -1.722 0 C-N-CA 117.918 -1.513 . . . . 38.359999999999999 108.47 179.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -59.9 -54.03 50.91 Favored 'General case' 0 CA--C 1.555 1.163 0 O-C-N 124.948 1.405 . . . . 48.130000000000003 111.625 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' OD1' ' HE3' ' A' ' 3' ' ' LYS . 87.6 m-20 -53.73 -35.98 61.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.373 1.082 . . . . 46.380000000000003 111.371 177.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.44 -41.34 84.91 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 114.909 -1.041 . . . . 92.180000000000007 112.459 -179.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -64.8 -42.27 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.577 2.002 0 CA-C-O 123.052 1.406 . . . . 28.010000000000002 107.414 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -55.33 -52.72 62.55 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-O 123.129 1.442 . . . . 69.790000000000006 111.35 -179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -52.88 -50.73 63.27 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 113.539 -1.664 . . . . 63.030000000000001 112.324 178.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -67.61 -28.05 67.42 Favored 'General case' 0 CA--C 1.47 -2.129 0 CA-C-O 117.111 -1.423 . . . . 34.200000000000003 111.508 -178.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 48.4 tp -65.7 -48.11 73.13 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 125.967 2.042 . . . . 52.18 108.152 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.1 t -53.39 -61.81 2.06 Favored 'General case' 0 CA--C 1.558 1.263 0 CA-C-N 112.641 -2.072 . . . . 67.810000000000002 109.282 177.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -52.17 -40.35 61.34 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 125.805 2.717 . . . . 64.739999999999995 110.322 178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.1 ttpp -63.02 -39.36 94.51 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 114.507 -2.877 . . . . 55.049999999999997 111.298 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -63.33 -36.56 84.1 Favored 'General case' 0 C--O 1.263 1.779 0 CA-C-O 123.735 1.731 . . . . 48.280000000000001 112.957 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.3 t-80 -60.72 -49.6 76.84 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-N 112.13 -2.305 . . . . 81.409999999999997 109.645 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 23' ' ' VAL . 48.8 mt -60.25 -37.97 82.02 Favored 'General case' 0 N--CA 1.42 -1.928 0 CA-C-N 114.732 -1.122 . . . . 37.979999999999997 111.895 179.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -74.33 -34.52 63.47 Favored 'General case' 0 CA--C 1.564 1.499 0 C-N-CA 118.366 -1.333 . . . . 47.979999999999997 111.401 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -60.55 -50.06 75.07 Favored 'General case' 0 CA--C 1.565 1.52 0 CA-C-O 123.357 1.551 . . . . 45.969999999999999 107.629 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -55.41 -42.76 74.55 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 120.291 -1.506 . . . . 100.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.49 HG22 HG23 ' B' ' 23' ' ' VAL . 58.6 t -65.0 -33.87 66.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 C-N-CA 119.582 -0.847 . . . . 56.670000000000002 110.226 -178.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 28' ' ' LYS . . . -60.67 -49.08 78.95 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 124.666 2.174 . . . . 53.509999999999998 110.194 -179.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.405 ' NH2' HD21 ' A' ' 26' ' ' LEU . 60.8 ttp85 -58.01 -44.1 87.05 Favored 'General case' 0 N--CA 1.416 -2.137 0 CA-C-N 109.901 -3.318 . . . . 68.269999999999996 113.064 179.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD21 ' NH2' ' A' ' 25' ' ' ARG . 84.4 mt -74.69 -30.95 61.74 Favored 'General case' 0 C--N 1.365 1.274 0 O-C-N 125.419 1.699 . . . . 60.32 109.284 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.32 -11.73 61.06 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.4 -1.727 . . . . 100.0 109.621 179.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 24' ' ' ALA 0.417 6.1 mttt -99.74 -8.26 24.5 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 113.484 0.92 . . . . 100.0 113.484 179.62 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . 0.34 16.7 mt -102.23 6.47 40.63 Favored 'General case' 0 CA--C 1.497 -1.067 0 C-N-CA 125.007 1.323 . . . . 73.799999999999997 109.134 178.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . 0.293 11.1 t . . . . . 0 C--O 1.252 1.208 0 N-CA-C 115.519 1.674 . . . . 100.0 115.519 -176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.562 ' N ' ' NE2' ' B' ' 4' ' ' GLN 0.276 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.469 0.544 . . . . 97.650000000000006 112.469 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.975 ' HE1' ' HA ' ' A' ' 2' ' ' MET . 0.6 OUTLIER -39.94 -53.75 2.29 Favored 'General case' 0 C--O 1.245 0.84 0 N-CA-C 114.435 1.272 . . . . 77.370000000000005 114.435 -179.254 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.467 ' HB3' ' HE ' ' B' ' 1' ' ' ARG 0.315 50.5 tttt -64.41 -36.46 84.22 Favored 'General case' 0 N--CA 1.428 -1.563 0 N-CA-C 114.904 1.446 . . . . 100.0 114.904 -179.551 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.562 ' NE2' ' N ' ' B' ' 1' ' ' ARG . 7.8 mt-30 -64.07 -48.0 77.93 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 122.276 1.036 . . . . 100.0 109.962 178.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.4 -44.74 80.57 Favored 'General case' 0 N--CA 1.427 -1.58 0 CA-C-N 112.536 -2.12 . . . . 39.920000000000002 106.798 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -62.31 -35.87 80.39 Favored 'General case' 0 CA--C 1.461 -2.475 0 CA-C-O 122.384 1.088 . . . . 52.409999999999997 110.463 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -71.02 -35.54 72.06 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.625 -1.17 . . . . 55.619999999999997 112.692 179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -64.13 -53.5 48.55 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 106.949 -1.5 . . . . 62.340000000000003 106.949 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 70.4 t -48.5 -50.87 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.242 0 O-C-N 121.01 -1.056 . . . . 30.449999999999999 111.473 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -62.03 -36.04 80.38 Favored 'General case' 0 CA--C 1.494 -1.186 0 O-C-N 119.127 -2.233 . . . . 100.0 113.878 -178.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.478 ' HG2' ' CE ' ' B' ' 15' ' ' LYS . 9.1 tt0 -72.62 -37.62 68.0 Favored 'General case' 0 C--N 1.292 -1.921 0 CA-C-N 114.789 -1.096 . . . . 100.0 111.795 -178.177 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.6 mt -69.92 -41.11 75.08 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 113.694 -1.594 . . . . 45.979999999999997 109.172 -179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.05 -35.84 79.83 Favored 'General case' 0 C--O 1.266 1.961 0 CA-C-O 122.456 1.122 . . . . 62.530000000000001 111.923 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 7.8 t -64.6 -38.95 92.77 Favored 'General case' 0 CA--C 1.554 1.119 0 CA-C-O 123.227 1.489 . . . . 57.710000000000001 110.42 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.478 ' CE ' ' HG2' ' B' ' 11' ' ' GLU . 12.8 mtmm -64.17 -46.76 82.58 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 123.87 1.795 . . . . 100.0 110.873 179.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -52.51 -50.8 62.07 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 113.307 -1.77 . . . . 69.310000000000002 110.038 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -63.29 -34.35 77.5 Favored 'General case' 0 C--O 1.252 1.214 0 C-N-CA 119.965 -0.694 . . . . 47.710000000000001 112.617 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -65.78 -39.61 91.14 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 124.553 1.158 . . . . 56.490000000000002 110.075 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 28.2 mt -71.07 -46.82 61.2 Favored 'General case' 0 CA--C 1.55 0.968 0 O-C-N 124.525 1.14 . . . . 46.960000000000001 110.842 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -57.54 -41.58 81.23 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.971 -1.705 . . . . 43.789999999999999 111.232 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -68.69 -34.29 75.41 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 119.955 -1.716 . . . . 78.819999999999993 111.176 179.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -67.89 -41.54 82.59 Favored 'General case' 0 CA--C 1.483 -1.632 0 O-C-N 119.749 -1.845 . . . . 91.920000000000002 107.727 -178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.49 HG23 HG22 ' A' ' 23' ' ' VAL . 2.6 t -57.37 -44.68 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.635 0 CA-C-N 112.503 -2.135 . . . . 62.310000000000002 112.203 -178.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.35 70.25 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.612 -1.176 . . . . 69.069999999999993 112.357 179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 16.2 mtm105 -75.29 -46.23 34.86 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 115.281 -0.872 . . . . 100.0 111.381 -179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . 0.261 23.2 mt -60.0 -52.18 66.51 Favored 'General case' 0 CA--C 1.501 -0.917 0 CA-C-N 115.293 -0.867 . . . . 57.409999999999997 110.607 -178.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -53.8 -41.73 67.6 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 114.915 -1.039 . . . . 100.0 109.618 178.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -56.45 -39.53 73.29 Favored 'General case' 0 N--CA 1.433 -1.279 0 C-N-CA 118.404 -1.318 . . . . 100.0 110.665 178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 tp -76.06 -17.35 59.68 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 115.179 1.548 . . . . 63.670000000000002 115.179 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.241 0.654 0 CA-C-O 123.991 1.853 . . . . 100.0 109.457 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' 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 ' 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 ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' 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 ' 82' ' ' HOH . . . . . 0.557 ' O ' ' NH2' ' B' ' 1' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_