data_5uxt_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 5uxt _Structure_validation_residue.Date_analyzed 2017-08-04 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.633 . . . . . . . . 55.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.87 -57.4 12.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.039 0.447 . . . . 88.980000000000004 111.392 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.88 -36.45 76.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 115.549 -0.75 . . . . 49.280000000000001 110.721 -177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -57.43 -33.92 68.41 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.051 -1.06 . . . . 96.260000000000005 111.242 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.25 -48.45 28.63 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.911 0.386 . . . . 45.509999999999998 111.297 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mt -45.84 -46.25 15.5 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.129 0.49 . . . . 56.270000000000003 111.317 168.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -35.58 80.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.114 -1.035 . . . . 75.180000000000007 110.909 -173.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -75.89 -41.81 50.95 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 119.844 -0.742 . . . . 74.540000000000006 111.462 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -54.68 -47.78 73.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.055 0.455 . . . . 46.119999999999997 111.543 170.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.37 -40.91 87.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.266 -0.574 . . . . 35.590000000000003 110.325 -179.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.64 -47.88 81.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.132 0.491 . . . . 69.390000000000001 111.188 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.33 -53.42 44.67 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.878 -0.514 . . . . 38.609999999999999 111.22 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.51 -44.05 62.43 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.304 0.483 . . . . 43.57 112.304 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -61.24 -42.9 99.42 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.756 -0.778 . . . . 52.450000000000003 110.829 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -61.66 -46.75 88.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.4 -0.92 . . . . 93.870000000000005 110.54 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -65.82 -45.39 82.46 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.467 -0.493 . . . . 37.299999999999997 111.82 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.02 -39.88 81.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.491 -0.484 . . . . 35.630000000000003 110.448 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -66.17 -40.2 90.33 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.079 -0.648 . . . . 56.939999999999998 111.841 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.6 -41.29 94.43 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.123 -0.631 . . . . 75.709999999999994 110.277 174.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.14 -44.16 97.24 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 122.014 -0.428 . . . . 34.460000000000001 112.095 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -58.15 -45.52 87.24 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.284 -0.567 . . . . 38.920000000000002 111.684 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.38 -50.59 73.14 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.304 -0.559 . . . . 41.359999999999999 110.897 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.57 -40.61 92.31 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.199 -0.6 . . . . 47.350000000000001 111.784 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 72.5 t -71.54 -36.91 61.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.745 -0.382 . . . . 36.640000000000001 110.615 -175.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.989 -0.444 . . . . 48.310000000000002 110.881 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.53 89.48 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.027 0.441 . . . . 42.0 110.93 176.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.01 -43.55 91.57 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.162 -0.615 . . . . 39.920000000000002 111.206 175.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -69.52 -38.85 77.73 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.654 -0.819 . . . . 66.859999999999999 112.102 -174.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -90.95 0.36 57.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.08 -0.648 . . . . 48.740000000000002 112.658 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.5 35.35 88.77 Favored Glycine 0 C--N 1.331 0.253 0 CA-C-O 119.647 -0.529 . . . . 40.710000000000001 114.321 -176.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 40.3 m0 -66.3 147.69 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.135 0.968 . . . . 41.780000000000001 112.983 -177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 53.97 38.96 29.95 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.221 -0.899 . . . . 63.329999999999998 110.447 174.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.85 95.07 0.35 Allowed Glycine 0 C--N 1.334 0.472 0 N-CA-C 114.796 0.679 . . . . 85.829999999999998 114.796 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 117.339 0.569 . . . . 91.489999999999995 110.772 175.005 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.115 . . . . . . . . 47.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -55.1 -48.99 72.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.954 -0.467 . . . . 72.400000000000006 110.658 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.5 t -70.1 -44.97 77.73 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 C-N-CA 120.04 -0.664 . . . . 43.369999999999997 110.914 -176.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -43.26 81.06 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.338 -0.545 . . . . 98.879999999999995 111.192 177.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.23 82.7 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.687 -0.405 . . . . 46.890000000000001 111.198 175.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 4.2 mt -62.49 -37.72 87.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.606 0.241 . . . . 50.729999999999997 111.252 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.12 -41.83 98.63 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.681 -0.808 . . . . 78.930000000000007 110.863 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -60.19 -45.1 94.3 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.708 -0.397 . . . . 71.560000000000002 111.044 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.17 -38.81 92.64 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 122.256 -0.277 . . . . 45.280000000000001 111.721 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 66.2 t -68.97 -40.77 81.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 120.364 -0.534 . . . . 39.789999999999999 110.505 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.95 -47.6 85.69 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.747 -0.781 . . . . 58.579999999999998 111.224 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.78 -46.61 74.46 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.95 -0.469 . . . . 41.259999999999998 111.145 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -64.2 -43.78 93.99 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 119.733 -0.787 . . . . 35.560000000000002 111.417 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -55.15 -41.48 71.87 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.447 -0.501 . . . . 50.299999999999997 111.246 -179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -68.08 -46.49 70.89 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.582 -0.281 . . . . 56.229999999999997 111.456 -178.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -60.53 -42.14 95.87 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 120.674 0.273 . . . . 41.630000000000003 111.565 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.15 -36.69 77.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.989 0.423 . . . . 41.600000000000001 110.928 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -66.43 -43.05 86.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 118.991 -1.084 . . . . 59.170000000000002 111.219 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -61.49 -42.69 99.18 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.876 -0.729 . . . . 62.039999999999999 111.063 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.35 -47.77 80.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.072 -0.651 . . . . 38.530000000000001 110.891 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -57.82 -45.66 85.82 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.824 -0.75 . . . . 61.939999999999998 111.454 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . 0.462 ' CD ' ' N ' ' B' ' 21' ' ' LYS . 4.9 mptt -64.17 -42.25 96.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.084 -0.647 . . . . 65.879999999999995 111.156 -179.091 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -67.27 -51.1 56.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 121.703 -0.623 . . . . 57.850000000000001 111.274 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -52.83 -40.64 36.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 119.995 -0.682 . . . . 45.380000000000003 110.54 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.5 -44.14 97.11 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.049 -0.661 . . . . 83.170000000000002 111.02 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.21 81.78 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.068 0.461 . . . . 50.909999999999997 110.683 173.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -37.8 64.2 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 122.267 -0.271 . . . . 57.390000000000001 111.242 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -72.09 -14.71 61.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.56 -0.856 . . . . 56.939999999999998 112.885 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 -95.02 0.41 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.401 -1.333 . . . . 93.239999999999995 107.401 175.659 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 O-C-N 120.701 -1.25 . . . . 94.109999999999999 113.897 176.657 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 56.369999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.78 -43.03 76.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.895 1.678 . . . . 75.659999999999997 112.553 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m -80.71 -28.62 11.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 118.374 -1.33 . . . . 58.240000000000002 110.53 178.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.14 -43.44 92.04 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.859 -0.736 . . . . 98.219999999999999 111.098 168.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.19 99.22 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.602 -0.839 . . . . 54.93 110.801 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.9 -43.81 81.71 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.444 -0.502 . . . . 51.439999999999998 111.396 176.168 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.7 -39.35 93.51 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.659 -0.417 . . . . 76.019999999999996 111.559 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.07 -39.79 95.78 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.584 -0.847 . . . . 56.789999999999999 110.913 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -64.42 -38.38 90.84 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 122.165 -0.334 . . . . 43.130000000000003 111.457 178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 96.0 t -71.0 -41.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.829 -0.748 . . . . 38.219999999999999 110.626 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -58.53 -40.46 82.99 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.361 -0.936 . . . . 71.200000000000003 111.067 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.37 71.27 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.371 -0.531 . . . . 39.740000000000002 110.978 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 35.2 mt -53.82 -49.51 68.21 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 111.922 0.341 . . . . 48.869999999999997 111.922 172.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -55.38 -36.27 66.2 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.745 -0.782 . . . . 40.719999999999999 110.227 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -68.16 -54.61 16.73 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.757 0.313 . . . . 59.0 111.028 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . 0.444 ' NZ ' ' O ' ' C' ' 101' ' ' HOH . 91.0 mttt -56.03 -39.76 72.44 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.834 0.349 . . . . 47.75 110.816 -179.048 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.13 -41.01 81.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.84 -0.344 . . . . 33.409999999999997 111.677 -176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -66.6 -37.29 84.59 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 118.548 -1.261 . . . . 49.43 111.151 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -62.42 -44.12 97.19 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.579 -0.449 . . . . 44.659999999999997 110.994 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -59.95 -42.96 95.18 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.858 -0.737 . . . . 38.950000000000003 111.199 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.33 -41.95 85.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.38 -0.928 . . . . 40.229999999999997 111.101 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -65.72 -46.47 78.83 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.501 -0.48 . . . . 42.340000000000003 110.825 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.72 -46.97 87.49 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 121.011 -0.276 . . . . 53.409999999999997 110.893 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -40.65 89.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 111.459 0.17 . . . . 37.420000000000002 111.459 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.43 -43.34 99.03 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.057 -0.657 . . . . 44.57 111.12 176.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.99 79.27 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 120.341 -0.544 . . . . 38.939999999999998 110.878 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.82 -46.68 77.68 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 116.71 -0.223 . . . . 40.030000000000001 110.874 178.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.42 -47.66 84.62 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 119.755 -0.778 . . . . 74.170000000000002 110.951 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.6 -0.33 56.72 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 113.543 0.942 . . . . 44.759999999999998 113.543 -172.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.87 45.62 91.44 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 118.853 0.752 . . . . 50.119999999999997 112.808 -175.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -72.64 132.39 43.66 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.522 -0.471 . . . . 50.759999999999998 112.202 -173.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.359 0 C-N-CA 127.665 2.386 . . . . 70.269999999999996 113.172 165.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . 0.444 ' O ' ' NZ ' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.633 . . . . . . . . 55.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.87 -57.4 12.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.039 0.447 . . . . 88.980000000000004 111.392 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.88 -36.45 76.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 115.549 -0.75 . . . . 49.280000000000001 110.721 -177.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -57.43 -33.92 68.41 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.051 -1.06 . . . . 96.260000000000005 111.242 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.25 -48.45 28.63 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.911 0.386 . . . . 45.509999999999998 111.297 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.478 HD22 HG21 ' C' ' 9' ' ' VAL . 8.7 mt -45.84 -46.25 15.5 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.129 0.49 . . . . 56.270000000000003 111.317 168.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -35.58 80.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.114 -1.035 . . . . 75.180000000000007 110.909 -173.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -75.89 -41.81 50.95 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 119.844 -0.742 . . . . 74.540000000000006 111.462 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.789 ' HE3' ' O ' ' C' ' 112' ' ' HOH . 50.3 mttp -54.68 -47.78 73.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.055 0.455 . . . . 46.119999999999997 111.543 170.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 5' ' ' LEU . 71.7 t -61.37 -40.91 87.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.266 -0.574 . . . . 35.590000000000003 110.325 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.64 -47.88 81.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.132 0.491 . . . . 69.390000000000001 111.188 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.33 -53.42 44.67 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.878 -0.514 . . . . 38.609999999999999 111.22 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.51 -44.05 62.43 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.304 0.483 . . . . 43.57 112.304 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 66.1 mt-10 -61.24 -42.9 99.42 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.756 -0.778 . . . . 52.450000000000003 110.829 -177.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -61.66 -46.75 88.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.4 -0.92 . . . . 93.870000000000005 110.54 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -65.82 -45.39 82.46 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.467 -0.493 . . . . 37.299999999999997 111.82 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.02 -39.88 81.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.491 -0.484 . . . . 35.630000000000003 110.448 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -66.17 -40.2 90.33 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.079 -0.648 . . . . 56.939999999999998 111.841 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.6 -41.29 94.43 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.123 -0.631 . . . . 75.709999999999994 110.277 174.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . 46.3 mt -62.14 -44.16 97.24 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 122.014 -0.428 . . . . 34.460000000000001 112.095 178.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -58.15 -45.52 87.24 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.284 -0.567 . . . . 38.920000000000002 111.684 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.38 -50.59 73.14 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.304 -0.559 . . . . 41.359999999999999 110.897 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.57 -40.61 92.31 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.199 -0.6 . . . . 47.350000000000001 111.784 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' LEU . 72.5 t -71.54 -36.91 61.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.745 -0.382 . . . . 36.640000000000001 110.615 -175.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.989 -0.444 . . . . 48.310000000000002 110.881 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HA ' ' CE3' ' A' ' 30' ' ' TRP . . . -61.59 -46.53 89.48 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.027 0.441 . . . . 42.0 110.93 176.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.01 -43.55 91.57 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.162 -0.615 . . . . 39.920000000000002 111.206 175.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 47.9 mt-10 -69.52 -38.85 77.73 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.654 -0.819 . . . . 66.859999999999999 112.102 -174.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -90.95 0.36 57.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.08 -0.648 . . . . 48.740000000000002 112.658 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . 0.692 ' HA2' ' HB2' ' A' ' 33' ' ' ARG . . . 60.5 35.35 88.77 Favored Glycine 0 C--N 1.331 0.253 0 CA-C-O 119.647 -0.529 . . . . 40.710000000000001 114.321 -176.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 25' ' ' ALA . 40.3 m0 -66.3 147.69 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.135 0.968 . . . . 41.780000000000001 112.983 -177.563 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 53.97 38.96 29.95 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.221 -0.899 . . . . 63.329999999999998 110.447 174.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . 0.548 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . 79.85 95.07 0.35 Allowed Glycine 0 C--N 1.334 0.472 0 N-CA-C 114.796 0.679 . . . . 85.829999999999998 114.796 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . 0.692 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 12.7 mtt180 . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 117.339 0.569 . . . . 91.489999999999995 110.772 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.115 . . . . . . . . 47.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -55.1 -48.99 72.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.954 -0.467 . . . . 72.400000000000006 110.658 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.5 t -70.1 -44.97 77.73 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 C-N-CA 120.04 -0.664 . . . . 43.369999999999997 110.914 -176.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -43.26 81.06 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.338 -0.545 . . . . 98.879999999999995 111.192 177.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.23 82.7 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.687 -0.405 . . . . 46.890000000000001 111.198 175.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 9' ' ' VAL . 4.2 mt -62.49 -37.72 87.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.606 0.241 . . . . 50.729999999999997 111.252 176.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.12 -41.83 98.63 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.681 -0.808 . . . . 78.930000000000007 110.863 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' B' ' 7' ' ' LYS . 2.2 mptt -60.19 -45.1 94.3 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.708 -0.397 . . . . 71.560000000000002 111.044 176.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.17 -38.81 92.64 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 122.256 -0.277 . . . . 45.280000000000001 111.721 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 66.2 t -68.97 -40.77 81.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 120.364 -0.534 . . . . 39.789999999999999 110.505 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.95 -47.6 85.69 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.747 -0.781 . . . . 58.579999999999998 111.224 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 15' ' ' LYS . . . -54.78 -46.61 74.46 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.95 -0.469 . . . . 41.259999999999998 111.145 176.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -64.2 -43.78 93.99 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 119.733 -0.787 . . . . 35.560000000000002 111.417 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' C' ' 8' ' ' LYS . 81.4 mt-10 -55.15 -41.48 71.87 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.447 -0.501 . . . . 50.299999999999997 111.246 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -68.08 -46.49 70.89 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.582 -0.281 . . . . 56.229999999999997 111.456 -178.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 11' ' ' ALA . 94.4 mttt -60.53 -42.14 95.87 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 120.674 0.273 . . . . 41.630000000000003 111.565 -179.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.15 -36.69 77.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.989 0.423 . . . . 41.600000000000001 110.928 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . 0.731 ' O ' ' HD3' ' B' ' 21' ' ' LYS . 36.3 tt0 -66.43 -43.05 86.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 118.991 -1.084 . . . . 59.170000000000002 111.219 177.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -61.49 -42.69 99.18 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.876 -0.729 . . . . 62.039999999999999 111.063 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.35 -47.77 80.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.072 -0.651 . . . . 38.530000000000001 110.891 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -57.82 -45.66 85.82 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.824 -0.75 . . . . 61.939999999999998 111.454 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' B' ' 17' ' ' GLN . 4.9 mptt -64.17 -42.25 96.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.084 -0.647 . . . . 65.879999999999995 111.156 -179.091 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -67.27 -51.1 56.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 121.703 -0.623 . . . . 57.850000000000001 111.274 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -52.83 -40.64 36.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 119.995 -0.682 . . . . 45.380000000000003 110.54 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.5 -44.14 97.11 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.049 -0.661 . . . . 83.170000000000002 111.02 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.21 81.78 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.068 0.461 . . . . 50.909999999999997 110.683 173.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -37.8 64.2 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 122.267 -0.271 . . . . 57.390000000000001 111.242 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -72.09 -14.71 61.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.56 -0.856 . . . . 56.939999999999998 112.885 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 -95.02 0.41 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.401 -1.333 . . . . 93.239999999999995 107.401 175.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 O-C-N 120.701 -1.25 . . . . 94.109999999999999 113.897 176.657 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 56.369999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.78 -43.03 76.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.895 1.678 . . . . 75.659999999999997 112.553 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m -80.71 -28.62 11.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 118.374 -1.33 . . . . 58.240000000000002 110.53 178.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.14 -43.44 92.04 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.859 -0.736 . . . . 98.219999999999999 111.098 168.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.19 99.22 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.602 -0.839 . . . . 54.93 110.801 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' C' ' 5' ' ' LEU . 0.5 OUTLIER -56.9 -43.81 81.71 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.444 -0.502 . . . . 51.439999999999998 111.396 176.168 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.7 -39.35 93.51 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.659 -0.417 . . . . 76.019999999999996 111.559 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.07 -39.79 95.78 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.584 -0.847 . . . . 56.789999999999999 110.913 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . 0.53 ' HD3' ' OE1' ' B' ' 13' ' ' GLU . 24.4 mttp -64.42 -38.38 90.84 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 122.165 -0.334 . . . . 43.130000000000003 111.457 178.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 5' ' ' LEU . 96.0 t -71.0 -41.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.829 -0.748 . . . . 38.219999999999999 110.626 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -58.53 -40.46 82.99 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.361 -0.936 . . . . 71.200000000000003 111.067 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.37 71.27 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.371 -0.531 . . . . 39.740000000000002 110.978 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 35.2 mt -53.82 -49.51 68.21 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 111.922 0.341 . . . . 48.869999999999997 111.922 172.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -55.38 -36.27 66.2 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.745 -0.782 . . . . 40.719999999999999 110.227 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -68.16 -54.61 16.73 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.757 0.313 . . . . 59.0 111.028 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.03 -39.76 72.44 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.834 0.349 . . . . 47.75 110.816 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.13 -41.01 81.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.84 -0.344 . . . . 33.409999999999997 111.677 -176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -66.6 -37.29 84.59 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 118.548 -1.261 . . . . 49.43 111.151 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -62.42 -44.12 97.19 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.579 -0.449 . . . . 44.659999999999997 110.994 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -59.95 -42.96 95.18 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.858 -0.737 . . . . 38.950000000000003 111.199 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.33 -41.95 85.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.38 -0.928 . . . . 40.229999999999997 111.101 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -65.72 -46.47 78.83 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.501 -0.48 . . . . 42.340000000000003 110.825 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.72 -46.97 87.49 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 121.011 -0.276 . . . . 53.409999999999997 110.893 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -40.65 89.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 111.459 0.17 . . . . 37.420000000000002 111.459 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.43 -43.34 99.03 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.057 -0.657 . . . . 44.57 111.12 176.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' C' ' 30' ' ' TRP . . . -56.26 -43.99 79.27 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 120.341 -0.544 . . . . 38.939999999999998 110.878 176.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.82 -46.68 77.68 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 116.71 -0.223 . . . . 40.030000000000001 110.874 178.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.42 -47.66 84.62 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 119.755 -0.778 . . . . 74.170000000000002 110.951 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.6 -0.33 56.72 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 113.543 0.942 . . . . 44.759999999999998 113.543 -172.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.87 45.62 91.44 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 118.853 0.752 . . . . 50.119999999999997 112.808 -175.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' TRP . . . . . 0.699 ' O ' ' HB2' ' C' ' 31' ' ' ASP . 16.8 m0 -72.64 132.39 43.66 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.522 -0.471 . . . . 50.759999999999998 112.202 -173.115 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 31' ' ' ASP . . . . . 0.699 ' HB2' ' O ' ' C' ' 30' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.359 0 C-N-CA 127.665 2.386 . . . . 70.269999999999996 113.172 165.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . 0.427 ' O ' ' HE2' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . 0.789 ' O ' ' HE3' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.241 0.633 . . . . . . . . 55.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.7 tt0 -56.87 -57.4 12.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 121.039 0.447 . . . . 88.980000000000004 111.392 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.88 -36.45 76.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-N 115.549 -0.75 . . . . 49.280000000000001 110.721 -177.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -57.43 -33.92 68.41 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 119.051 -1.06 . . . . 96.260000000000005 111.242 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.25 -48.45 28.63 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-O 120.911 0.386 . . . . 45.509999999999998 111.297 -176.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.478 HD22 HG21 ' C' ' 9' ' ' VAL . 8.7 mt -45.84 -46.25 15.5 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.129 0.49 . . . . 56.270000000000003 111.317 168.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.14 -35.58 80.76 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.114 -1.035 . . . . 75.180000000000007 110.909 -173.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -75.89 -41.81 50.95 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 119.844 -0.742 . . . . 74.540000000000006 111.462 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.789 ' HE3' ' O ' ' C' ' 112' ' ' HOH . 50.3 mttp -54.68 -47.78 73.21 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.055 0.455 . . . . 46.119999999999997 111.543 170.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 5' ' ' LEU . 71.7 t -61.37 -40.91 87.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 C-N-CA 120.266 -0.574 . . . . 35.590000000000003 110.325 -179.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -62.64 -47.88 81.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.132 0.491 . . . . 69.390000000000001 111.188 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -52.33 -53.42 44.67 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 121.878 -0.514 . . . . 38.609999999999999 111.22 174.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.6 mt -51.51 -44.05 62.43 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 112.304 0.483 . . . . 43.57 112.304 178.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 9' ' ' VAL . 66.1 mt-10 -61.24 -42.9 99.42 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.756 -0.778 . . . . 52.450000000000003 110.829 -177.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -61.66 -46.75 88.41 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 119.4 -0.92 . . . . 93.870000000000005 110.54 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -65.82 -45.39 82.46 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.467 -0.493 . . . . 37.299999999999997 111.82 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 51.6 t -60.02 -39.88 81.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.491 -0.484 . . . . 35.630000000000003 110.448 -179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -66.17 -40.2 90.33 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.079 -0.648 . . . . 56.939999999999998 111.841 177.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 ttpp -60.6 -41.29 94.43 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 120.123 -0.631 . . . . 75.709999999999994 110.277 174.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 23' ' ' VAL . 46.3 mt -62.14 -44.16 97.24 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 122.014 -0.428 . . . . 34.460000000000001 112.095 178.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -58.15 -45.52 87.24 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.284 -0.567 . . . . 38.920000000000002 111.684 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -58.38 -50.59 73.14 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 120.304 -0.559 . . . . 41.359999999999999 110.897 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.8 mttm -60.57 -40.61 92.31 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.199 -0.6 . . . . 47.350000000000001 111.784 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 19' ' ' LEU . 72.5 t -71.54 -36.91 61.92 Favored 'Isoleucine or valine' 0 C--O 1.242 0.707 0 C-N-CA 120.745 -0.382 . . . . 36.640000000000001 110.615 -175.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.27 -39.89 89.74 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.989 -0.444 . . . . 48.310000000000002 110.881 175.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' HA ' ' CE3' ' A' ' 30' ' ' TRP . . . -61.59 -46.53 89.48 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.027 0.441 . . . . 42.0 110.93 176.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.0 mt -59.01 -43.55 91.57 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.162 -0.615 . . . . 39.920000000000002 111.206 175.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 23' ' ' VAL . 47.9 mt-10 -69.52 -38.85 77.73 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.654 -0.819 . . . . 66.859999999999999 112.102 -174.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -90.95 0.36 57.54 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.08 -0.648 . . . . 48.740000000000002 112.658 -179.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.692 ' HA2' ' HB2' ' A' ' 33' ' ' ARG . . . 60.5 35.35 88.77 Favored Glycine 0 C--N 1.331 0.253 0 CA-C-O 119.647 -0.529 . . . . 40.710000000000001 114.321 -176.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 25' ' ' ALA . 40.3 m0 -66.3 147.69 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.135 0.968 . . . . 41.780000000000001 112.983 -177.563 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 53.97 38.96 29.95 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.221 -0.899 . . . . 63.329999999999998 110.447 174.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.548 ' O ' ' HG3' ' A' ' 33' ' ' ARG . . . 79.85 95.07 0.35 Allowed Glycine 0 C--N 1.334 0.472 0 N-CA-C 114.796 0.679 . . . . 85.829999999999998 114.796 -179.83 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.692 ' HB2' ' HA2' ' A' ' 29' ' ' GLY . 12.7 mtt180 . . . . . 0 N--CA 1.465 0.313 0 CA-C-N 117.339 0.569 . . . . 91.489999999999995 110.772 175.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.115 . . . . . . . . 47.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -55.1 -48.99 72.82 Favored 'General case' 0 N--CA 1.457 -0.102 0 O-C-N 121.954 -0.467 . . . . 72.400000000000006 110.658 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.5 t -70.1 -44.97 77.73 Favored 'Isoleucine or valine' 0 C--O 1.244 0.777 0 C-N-CA 120.04 -0.664 . . . . 43.369999999999997 110.914 -176.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -43.26 81.06 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.338 -0.545 . . . . 98.879999999999995 111.192 177.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.23 82.7 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.687 -0.405 . . . . 46.890000000000001 111.198 175.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 9' ' ' VAL . 4.2 mt -62.49 -37.72 87.08 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.606 0.241 . . . . 50.729999999999997 111.252 176.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -62.12 -41.83 98.63 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.681 -0.808 . . . . 78.930000000000007 110.863 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.419 ' HA ' ' HD2' ' B' ' 7' ' ' LYS . 2.2 mptt -60.19 -45.1 94.3 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.708 -0.397 . . . . 71.560000000000002 111.044 176.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -63.17 -38.81 92.64 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 122.256 -0.277 . . . . 45.280000000000001 111.721 -179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 66.2 t -68.97 -40.77 81.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 C-N-CA 120.364 -0.534 . . . . 39.789999999999999 110.505 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -60.95 -47.6 85.69 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.747 -0.781 . . . . 58.579999999999998 111.224 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . 0.479 ' O ' ' HG3' ' B' ' 15' ' ' LYS . . . -54.78 -46.61 74.46 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 121.95 -0.469 . . . . 41.259999999999998 111.145 176.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 39.3 mt -64.2 -43.78 93.99 Favored 'General case' 0 C--O 1.241 0.605 0 C-N-CA 119.733 -0.787 . . . . 35.560000000000002 111.417 178.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.53 ' OE1' ' HD3' ' C' ' 8' ' ' LYS . 81.4 mt-10 -55.15 -41.48 71.87 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 120.447 -0.501 . . . . 50.299999999999997 111.246 -179.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -68.08 -46.49 70.89 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.582 -0.281 . . . . 56.229999999999997 111.456 -178.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' B' ' 11' ' ' ALA . 94.4 mttt -60.53 -42.14 95.87 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-O 120.674 0.273 . . . . 41.630000000000003 111.565 -179.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.15 -36.69 77.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-O 120.989 0.423 . . . . 41.600000000000001 110.928 -179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.731 ' O ' ' HD3' ' B' ' 21' ' ' LYS . 36.3 tt0 -66.43 -43.05 86.71 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 118.991 -1.084 . . . . 59.170000000000002 111.219 177.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -61.49 -42.69 99.18 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.876 -0.729 . . . . 62.039999999999999 111.063 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 34.0 mt -57.35 -47.77 80.73 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.072 -0.651 . . . . 38.530000000000001 110.891 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -57.82 -45.66 85.82 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.824 -0.75 . . . . 61.939999999999998 111.454 -177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.731 ' HD3' ' O ' ' B' ' 17' ' ' GLN . 4.9 mptt -64.17 -42.25 96.79 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.084 -0.647 . . . . 65.879999999999995 111.156 -179.091 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -67.27 -51.1 56.97 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 121.703 -0.623 . . . . 57.850000000000001 111.274 -179.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.4 t -52.83 -40.64 36.48 Favored 'Isoleucine or valine' 0 C--O 1.243 0.713 0 C-N-CA 119.995 -0.682 . . . . 45.380000000000003 110.54 175.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -62.5 -44.14 97.11 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.049 -0.661 . . . . 83.170000000000002 111.02 -179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.21 81.78 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 121.068 0.461 . . . . 50.909999999999997 110.683 173.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -37.8 64.2 Favored 'General case' 0 C--O 1.236 0.368 0 O-C-N 122.267 -0.271 . . . . 57.390000000000001 111.242 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -72.09 -14.71 61.92 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 119.56 -0.856 . . . . 56.939999999999998 112.885 -179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.67 -95.02 0.41 Allowed 'General case' 0 C--O 1.248 1.01 0 N-CA-C 107.401 -1.333 . . . . 93.239999999999995 107.401 175.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 O-C-N 120.701 -1.25 . . . . 94.109999999999999 113.897 176.657 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.588 . . . . . . . . 56.369999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -68.78 -43.03 76.57 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 125.895 1.678 . . . . 75.659999999999997 112.553 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 1.4 m -80.71 -28.62 11.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 118.374 -1.33 . . . . 58.240000000000002 110.53 178.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.14 -43.44 92.04 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.859 -0.736 . . . . 98.219999999999999 111.098 168.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.19 99.22 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.602 -0.839 . . . . 54.93 110.801 176.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' C' ' 5' ' ' LEU . 0.5 OUTLIER -56.9 -43.81 81.71 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.444 -0.502 . . . . 51.439999999999998 111.396 176.168 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.7 -39.35 93.51 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.659 -0.417 . . . . 76.019999999999996 111.559 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -63.07 -39.79 95.78 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 119.584 -0.847 . . . . 56.789999999999999 110.913 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.53 ' HD3' ' OE1' ' B' ' 13' ' ' GLU . 24.4 mttp -64.42 -38.38 90.84 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 122.165 -0.334 . . . . 43.130000000000003 111.457 178.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.478 HG21 HD22 ' A' ' 5' ' ' LEU . 96.0 t -71.0 -41.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.829 -0.748 . . . . 38.219999999999999 110.626 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -58.53 -40.46 82.99 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.361 -0.936 . . . . 71.200000000000003 111.067 178.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -43.37 71.27 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.371 -0.531 . . . . 39.740000000000002 110.978 -179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 35.2 mt -53.82 -49.51 68.21 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 111.922 0.341 . . . . 48.869999999999997 111.922 172.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -55.38 -36.27 66.2 Favored 'General case' 0 CA--C 1.516 -0.34 0 C-N-CA 119.745 -0.782 . . . . 40.719999999999999 110.227 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -68.16 -54.61 16.73 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 120.757 0.313 . . . . 59.0 111.028 176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -56.03 -39.76 72.44 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.834 0.349 . . . . 47.75 110.816 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 55.4 t -69.13 -41.01 81.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 C-N-CA 120.84 -0.344 . . . . 33.409999999999997 111.677 -176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -66.6 -37.29 84.59 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 118.548 -1.261 . . . . 49.43 111.151 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -62.42 -44.12 97.19 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 120.579 -0.449 . . . . 44.659999999999997 110.994 173.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 34.6 mt -59.95 -42.96 95.18 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 119.858 -0.737 . . . . 38.950000000000003 111.199 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -58.33 -41.95 85.73 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 119.38 -0.928 . . . . 40.229999999999997 111.101 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -65.72 -46.47 78.83 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.501 -0.48 . . . . 42.340000000000003 110.825 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.72 -46.97 87.49 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 121.011 -0.276 . . . . 53.409999999999997 110.893 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.66 -40.65 89.79 Favored 'Isoleucine or valine' 0 C--O 1.239 0.513 0 N-CA-C 111.459 0.17 . . . . 37.420000000000002 111.459 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -61.43 -43.34 99.03 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.057 -0.657 . . . . 44.57 111.12 176.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ALA . . . . . 0.419 ' HA ' ' CE3' ' C' ' 30' ' ' TRP . . . -56.26 -43.99 79.27 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 120.341 -0.544 . . . . 38.939999999999998 110.878 176.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.82 -46.68 77.68 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 116.71 -0.223 . . . . 40.030000000000001 110.874 178.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.42 -47.66 84.62 Favored 'General case' 0 C--O 1.232 0.18 0 C-N-CA 119.755 -0.778 . . . . 74.170000000000002 110.951 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -87.6 -0.33 56.72 Favored 'General case' 0 C--O 1.233 0.206 0 N-CA-C 113.543 0.942 . . . . 44.759999999999998 113.543 -172.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.87 45.62 91.44 Favored Glycine 0 C--N 1.334 0.428 0 CA-C-N 118.853 0.752 . . . . 50.119999999999997 112.808 -175.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' TRP . . . . . 0.699 ' O ' ' HB2' ' C' ' 31' ' ' ASP . 16.8 m0 -72.64 132.39 43.66 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 120.522 -0.471 . . . . 50.759999999999998 112.202 -173.115 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' ASP . . . . . 0.699 ' HB2' ' O ' ' C' ' 30' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.466 0.359 0 C-N-CA 127.665 2.386 . . . . 70.269999999999996 113.172 165.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . 0.427 ' O ' ' HE2' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . 0.789 ' O ' ' HE3' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_