data_1zim_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 1zim _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.498 . . . . . . . . 100.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . 0.361 11.0 ttt180 -61.72 -1.75 0.67 Allowed 'General case' 0 C--N 1.354 0.772 1 C-N-CA 154.746 13.219 . . . . 73.090000000000003 114.121 . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . 0.41 ' SD ' ' O ' ' A' ' 2' ' ' MET . 30.9 tpp -118.06 -37.15 3.44 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 123.976 0.911 . . . . 72.870000000000005 109.771 179.125 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.27 -32.16 58.68 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 127.291 2.237 . . . . 81.950000000000003 106.997 178.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -45.69 77.13 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.137 -1.392 . . . . 100.0 108.825 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' C' ' 5' ' ' LEU . 31.3 tp -63.59 -48.68 76.38 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 123.274 1.512 . . . . 71.799999999999997 110.758 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -58.19 -39.92 80.18 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-N 112.809 -1.996 . . . . 100.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.53 -29.51 63.65 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.622 -2.081 . . . . 85.829999999999998 109.538 178.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -80.15 -41.06 26.12 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 107.869 -1.16 . . . . 100.0 107.869 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.19 -24.99 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 117.569 -1.652 . . . . 39.649999999999999 110.7 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -39.84 40.35 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 118.848 -1.141 . . . . 100.0 111.748 179.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -55.33 -50.1 70.49 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 119.942 -1.724 . . . . 81.959999999999994 107.779 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 mt -58.31 -42.86 87.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.384 1.074 . . . . 56.32 113.591 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.76 -39.24 90.86 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.156 -0.929 . . . . 65.530000000000001 110.077 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -49.83 55.26 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.485 -1.234 . . . . 100.0 114.216 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -67.5 -37.02 82.21 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.297 0.998 . . . . 84.439999999999998 110.549 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' NE2' ' CD1' ' C' ' 19' ' ' LEU . 72.2 tp60 -56.12 -45.03 79.67 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 124.279 1.032 . . . . 100.0 112.363 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -62.98 -48.73 77.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.433 1.493 . . . . 46.649999999999999 109.638 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.76 -49.85 75.85 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-O 117.861 -1.066 . . . . 89.060000000000002 112.173 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.1 mt -59.06 -37.04 76.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.619 1.568 . . . . 71.939999999999998 113.644 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.6 -30.43 68.18 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.656 -1.979 . . . . 100.0 105.656 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.348 86.6 m-20 -68.2 -46.28 71.05 Favored 'General case' 0 CA--C 1.482 -1.653 0 C-N-CA 117.646 -1.621 . . . . 57.82 111.835 -179.039 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.13 -43.52 82.47 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 125.801 1.938 . . . . 100.0 114.02 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.29 -36.7 37.28 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 124.637 1.175 . . . . 32.700000000000003 112.534 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.0 85.57 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 122.851 1.31 . . . . 37.200000000000003 111.273 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -70.44 -57.55 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 125.228 1.411 . . . . 100.0 109.328 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.5 mt -49.05 -30.01 5.75 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 111.672 0.249 . . . . 86.409999999999997 111.672 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . 0.656 ' NZ ' ' O ' ' A' ' 66' ' ' HOH . 18.5 mtpt -66.99 -52.45 42.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.779 -0.823 . . . . 100.0 108.779 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -37.02 86.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 124.05 0.844 . . . . 72.260000000000005 109.532 179.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.38 -12.27 59.8 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 124.873 1.358 . . . . 74.590000000000003 113.303 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.53 -6.11 11.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 O-C-N 126.184 2.178 . . . . 91.549999999999997 112.123 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.49 -37.85 3.3 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.224 -1.151 . . . . 100.0 110.224 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . 0.529 ' OE1' ' NH2' ' C' ' 25' ' ' ARG . 70.4 mm-40 . . . . . 0 C--O 1.243 0.724 0 N-CA-C 114.542 1.312 . . . . 100.0 114.542 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 . . . . . . . . 51.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -18.39 -77.19 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 129.521 3.129 . . . . 100.0 112.473 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -56.43 8.54 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.887 1.44 . . . . 99.25 114.887 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -53.83 -47.83 70.54 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 116.331 1.975 . . . . 86.0 116.331 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.57 -52.53 65.05 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 125.977 2.048 . . . . 100.0 107.626 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.1 mt -55.87 -57.34 12.48 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.48 -1.236 . . . . 79.109999999999999 107.91 179.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -48.68 -38.2 20.65 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.615 1.198 . . . . 94.890000000000001 112.18 179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -63.18 -60.07 3.91 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 116.792 -1.963 . . . . 100.0 109.85 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -54.19 -20.82 7.5 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 115.786 1.773 . . . . 55.950000000000003 115.786 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.8 t -87.16 -32.71 6.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 121.019 -1.051 . . . . 54.509999999999998 111.51 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -75.95 -25.06 55.56 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.83 1.3 . . . . 100.0 113.049 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . 0.458 ' CG ' ' NZ ' ' B' ' 15' ' ' LYS . 4.0 tt0 -76.02 -48.74 19.8 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.961 2.104 . . . . 100.0 108.045 178.696 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 10.3 mt -63.77 -35.88 82.06 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.555 -0.748 . . . . 50.170000000000002 109.949 177.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 mt -73.81 -30.04 62.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 124.442 2.068 . . . . 49.149999999999999 107.142 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -68.67 -51.75 38.46 Favored 'General case' 0 N--CA 1.419 -2.019 0 C-N-CA 117.886 -1.526 . . . . 55.07 108.375 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 0.458 ' NZ ' ' CG ' ' B' ' 11' ' ' GLU . 13.5 mttp -57.43 -39.48 76.33 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 126.12 2.137 . . . . 59.369999999999997 113.893 -179.547 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -61.0 -41.51 96.65 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.89 -1.505 . . . . 61.75 114.57 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -59.48 -44.95 92.94 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.177 1.791 . . . . 100.0 109.656 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -66.4 -50.2 64.24 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.037 -0.983 . . . . 84.760000000000005 110.038 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -42.48 52.79 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 122.166 0.984 . . . . 42.350000000000001 111.711 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -68.51 -40.51 80.79 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.399 0.889 . . . . 99.030000000000001 113.399 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.75 -38.82 89.39 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.539 1.149 . . . . 68.319999999999993 108.687 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.66 1.584 . . . . 100.0 113.853 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.0 -37.37 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.024 0 C-N-CA 125.239 1.416 . . . . 34.18 108.983 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.58 85.0 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 106.649 -1.611 . . . . 50.439999999999998 106.649 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . 0.831 ' NE ' ' NZ ' ' C' ' 27' ' ' LYS . 4.2 ttt85 -67.19 -31.37 71.72 Favored 'General case' 0 N--CA 1.42 -1.941 0 O-C-N 120.47 -1.394 . . . . 100.0 110.605 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . 0.281 5.9 mt -67.34 -35.05 78.6 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 122.626 1.203 . . . . 45.789999999999999 110.243 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -65.04 -39.35 93.21 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.928 -1.033 . . . . 100.0 111.275 -178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -61.53 -55.14 34.27 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 127.02 2.7 . . . . 100.0 109.766 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 30' ' ' VAL . 69.4 mt -52.51 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.391 -1.337 . . . . 75.689999999999998 107.391 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' B' ' 29' ' ' LEU . 21.7 t -21.65 -73.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.262 -0.881 . . . . 75.299999999999997 112.488 179.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 158.32 141.83 3.25 Favored Glycine 0 C--O 1.244 0.744 0 C-N-CA 120.145 -1.026 . . . . 95.939999999999998 111.977 -179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.4 1.88 . . . . 100.0 111.654 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.521 . . . . . . . . 100.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ARG . . . . . 0.468 ' NH1' ' CB ' ' C' ' 1' ' ' ARG . 0.0 OUTLIER -74.45 -20.27 60.08 Favored 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 105.9 -6.32 . . . . 100.0 113.533 . . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 54.8 mmm -84.78 -31.92 23.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.737 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LYS . . . . . 0.611 ' NZ ' ' OE1' ' C' ' 6' ' ' GLU . 0.0 OUTLIER -71.83 -33.67 68.66 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 106.905 -1.517 . . . . 73.909999999999997 106.905 178.999 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -60.12 3.71 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 105.131 -2.174 . . . . 100.0 105.131 178.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . 0.41 ' CD1' ' CD2' ' A' ' 5' ' ' LEU . 3.0 mt -50.59 -47.82 57.94 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.819 -1.537 . . . . 98.200000000000003 112.049 179.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . 0.611 ' OE1' ' NZ ' ' C' ' 3' ' ' LYS . 24.1 tt0 -55.8 -34.19 65.1 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 107.971 -1.122 . . . . 100.0 107.971 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' C' ' 3' ' ' LYS 0.318 41.0 m-20 -69.38 -39.91 77.74 Favored 'General case' 0 C--O 1.208 -1.109 0 N-CA-C 115.32 1.6 . . . . 93.060000000000002 115.32 -179.152 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -76.06 -36.13 59.14 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.944 0.878 . . . . 100.0 110.473 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 96.2 t -68.72 -33.97 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 N-CA-C 106.934 -1.506 . . . . 52.189999999999998 106.934 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -57.92 -45.34 86.68 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.691 -1.966 . . . . 100.0 105.691 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . 0.265 63.9 mt-10 -64.28 -50.93 65.95 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 124.356 1.035 . . . . 100.0 111.49 179.335 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.01 -30.13 67.77 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 124.582 2.134 . . . . 62.590000000000003 115.769 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 60.7 mt -66.73 -48.0 70.56 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 122.781 1.277 . . . . 60.57 108.018 -179.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -44.55 91.55 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.758 2.132 . . . . 37.640000000000001 116.758 -178.946 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -68.38 -31.31 70.58 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-O 117.901 -1.047 . . . . 100.0 110.996 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.64 -45.82 74.24 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 125.402 1.689 . . . . 99.489999999999995 110.886 -179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.95 -46.52 87.83 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 120.786 -1.196 . . . . 50.659999999999997 111.734 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -66.49 -36.66 83.29 Favored 'General case' 0 CA--C 1.56 1.346 0 O-C-N 120.466 -1.396 . . . . 91.549999999999997 107.966 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . 0.466 ' CD1' ' NE2' ' A' ' 16' ' ' GLN . 6.7 mt -60.17 -59.95 4.59 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 119.725 -1.859 . . . . 41.630000000000003 111.365 179.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -46.28 -47.35 18.23 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 118.427 -0.797 . . . . 99.560000000000002 110.61 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' C' ' 51' ' ' HOH . 70.2 m-20 -53.35 -54.09 41.61 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.535 2.734 . . . . 68.450000000000003 109.667 179.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -55.84 -52.28 64.57 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 125.406 1.482 . . . . 100.0 110.288 177.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.04 -47.98 88.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 N-CA-C 114.567 1.321 . . . . 42.920000000000002 114.567 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.36 82.77 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.807 0.443 . . . . 39.890000000000001 109.955 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . 0.529 ' NH2' ' OE1' ' A' ' 32' ' ' GLU . 27.1 ttt-85 -55.16 -56.21 22.48 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 126.865 2.603 . . . . 96.390000000000001 108.916 178.831 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.54 -46.04 80.88 Favored 'General case' 0 CA--C 1.488 -1.42 0 C-N-CA 124.93 1.292 . . . . 63.420000000000002 110.824 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LYS . . . . . 0.831 ' NZ ' ' NE ' ' B' ' 25' ' ' ARG . 25.4 tptt -52.45 -49.31 64.87 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.749 -1.204 . . . . 59.710000000000001 107.749 179.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -57.7 -56.38 22.73 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.902 1.281 . . . . 100.0 113.146 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -43.24 95.63 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 114.017 1.118 . . . . 54.060000000000002 114.017 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . 0.257 40.8 t -57.57 -65.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.163 0 N-CA-C 115.634 1.716 . . . . 55.979999999999997 115.634 -178.832 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.75 169.47 0.01 OUTLIER Glycine 0 CA--C 1.537 1.436 0 N-CA-C 118.975 2.35 . . . . 97.459999999999994 118.975 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 112.245 -1.978 . . . . 100.0 108.424 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . 0.656 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' HOH . . . . . 0.478 ' O ' ' ND2' ' C' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.498 . . . . . . . . 100.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . 0.945 ' HA ' ' HG2' ' A' ' 4' ' ' GLN 0.361 11.0 ttt180 -61.72 -1.75 0.67 Allowed 'General case' 0 C--N 1.354 0.772 1 C-N-CA 154.746 13.219 . . . . 73.09 114.121 . . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . 0.433 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 30.9 tpp -118.06 -37.15 3.44 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 123.976 0.911 . . . . 72.87 109.771 179.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.27 -32.16 58.68 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 127.291 2.237 . . . . 81.95 106.997 178.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.945 ' HG2' ' HA ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -66.91 -45.69 77.13 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.137 -1.392 . . . . 100.0 108.825 179.675 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.639 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 31.3 tp -63.59 -48.68 76.38 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 123.274 1.512 . . . . 71.8 110.758 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 2' ' ' MET . 81.3 mt-10 -58.19 -39.92 80.18 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-N 112.809 -1.996 . . . . 100.0 112.513 -179.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.53 -29.51 63.65 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.622 -2.081 . . . . 85.83 109.538 178.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -80.15 -41.06 26.12 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 107.869 -1.16 . . . . 100.0 107.869 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.19 -24.99 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 117.569 -1.652 . . . . 39.65 110.7 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -39.84 40.35 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 118.848 -1.141 . . . . 100.0 111.748 179.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -55.33 -50.1 70.49 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 119.942 -1.724 . . . . 81.96 107.779 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' HG ' HD23 ' B' ' 13' ' ' LEU . 8.6 mt -58.31 -42.86 87.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.384 1.074 . . . . 56.32 113.591 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.76 -39.24 90.86 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.156 -0.929 . . . . 65.53 110.077 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -49.83 55.26 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.485 -1.234 . . . . 100.0 114.216 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -67.5 -37.02 82.21 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.297 0.998 . . . . 84.44 110.549 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.405 ' OE1' HD12 ' C' ' 19' ' ' LEU . 11.8 tp-100 -56.12 -45.03 79.67 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 124.279 1.032 . . . . 100.0 112.363 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -62.98 -48.73 77.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.433 1.493 . . . . 46.65 109.638 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.582 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 49.3 t-80 -60.76 -49.85 75.85 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-O 117.861 -1.066 . . . . 89.06 112.173 -179.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' B' ' 20' ' ' GLU . 14.1 mt -59.06 -37.04 76.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.619 1.568 . . . . 71.94 113.644 179.765 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.6 -30.43 68.18 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.656 -1.979 . . . . 100.0 105.656 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.348 86.6 m-20 -68.2 -46.28 71.05 Favored 'General case' 0 CA--C 1.482 -1.653 0 C-N-CA 117.646 -1.621 . . . . 57.82 111.835 -179.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.13 -43.52 82.47 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 125.801 1.938 . . . . 100.0 114.02 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.29 -36.7 37.28 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 124.637 1.175 . . . . 32.7 112.534 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.0 85.57 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 122.851 1.31 . . . . 37.2 111.273 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -70.44 -57.55 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 125.228 1.411 . . . . 100.0 109.328 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' HA ' HD23 ' A' ' 26' ' ' LEU . 10.5 mt -49.05 -30.01 5.75 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 111.672 0.249 . . . . 86.41 111.672 179.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HD2' ' OE1' ' C' ' 22' ' ' GLU . 18.5 mtpt -66.99 -52.45 42.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.779 -0.823 . . . . 100.0 108.779 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -64.51 -37.02 86.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 124.05 0.844 . . . . 72.26 109.532 179.314 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.38 -12.27 59.8 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 124.873 1.358 . . . . 74.59 113.303 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 32' ' ' GLU . 22.8 t -117.53 -6.11 11.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 O-C-N 126.184 2.178 . . . . 91.55 112.123 -179.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.49 -37.85 3.3 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.224 -1.151 . . . . 100.0 110.224 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HG2' HG12 ' A' ' 30' ' ' VAL . 70.4 mm-40 . . . . . 0 C--O 1.243 0.724 0 N-CA-C 114.542 1.312 . . . . 100.0 114.542 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 . . . . . . . . 51.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 1.113 ' HB3' ' HE2' ' C' ' 2' ' ' MET . 15.8 mtt180 -18.39 -77.19 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 129.521 3.129 . . . . 100.0 112.473 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.717 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -48.68 -56.43 8.54 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.887 1.44 . . . . 99.25 114.887 179.838 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -53.83 -47.83 70.54 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 116.331 1.975 . . . . 86.0 116.331 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.57 -52.53 65.05 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 125.977 2.048 . . . . 100.0 107.626 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . 0.445 HD12 ' CE ' ' C' ' 2' ' ' MET . 18.1 mt -55.87 -57.34 12.48 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.48 -1.236 . . . . 79.11 107.91 179.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.717 ' HG3' ' O ' ' B' ' 2' ' ' MET . 18.9 mt-10 -48.68 -38.2 20.65 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.615 1.198 . . . . 94.89 112.18 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -63.18 -60.07 3.91 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 116.792 -1.963 . . . . 100.0 109.85 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.569 ' HE3' HD21 ' C' ' 13' ' ' LEU . 17.4 tptt -54.19 -20.82 7.5 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 115.786 1.773 . . . . 55.95 115.786 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.8 t -87.16 -32.71 6.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 121.019 -1.051 . . . . 54.51 111.51 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -75.95 -25.06 55.56 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.83 1.3 . . . . 100.0 113.049 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . 0.715 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 4.0 tt0 -76.02 -48.74 19.8 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.961 2.104 . . . . 100.0 108.045 178.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . 0.491 HD21 HD23 ' C' ' 13' ' ' LEU . 10.3 mt -63.77 -35.88 82.06 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.555 -0.748 . . . . 50.17 109.949 177.813 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . 0.584 HD23 ' HG ' ' A' ' 12' ' ' LEU . 6.2 mt -73.81 -30.04 62.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 124.442 2.068 . . . . 49.15 107.142 -179.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -68.67 -51.75 38.46 Favored 'General case' 0 N--CA 1.419 -2.019 0 C-N-CA 117.886 -1.526 . . . . 55.07 108.375 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.715 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 13.5 mttp -57.43 -39.48 76.33 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 126.12 2.137 . . . . 59.37 113.893 -179.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . 0.71 ' O ' ' HG3' ' B' ' 20' ' ' GLU . 21.0 tt0 -61.0 -41.51 96.65 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.89 -1.505 . . . . 61.75 114.57 179.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -59.48 -44.95 92.94 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.177 1.791 . . . . 100.0 109.656 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . 0.552 ' HD2' ' O ' ' B' ' 53' ' ' HOH . 11.8 t-80 -66.4 -50.2 64.24 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.037 -0.983 . . . . 84.76 110.038 178.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -42.48 52.79 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 122.166 0.984 . . . . 42.35 111.711 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . 0.83 ' HG2' HD11 ' A' ' 19' ' ' LEU . 23.6 mt-10 -68.51 -40.51 80.79 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.399 0.889 . . . . 99.03 113.399 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.75 -38.82 89.39 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.539 1.149 . . . . 68.32 108.687 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . 0.657 ' HG3' ' O ' ' B' ' 63' ' ' HOH . 23.0 mm-40 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.66 1.584 . . . . 100.0 113.853 178.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.0 -37.37 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.024 0 C-N-CA 125.239 1.416 . . . . 34.18 108.983 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.58 85.0 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 106.649 -1.611 . . . . 50.44 106.649 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 1.005 ' HE ' ' NZ ' ' C' ' 27' ' ' LYS . 4.2 ttt85 -67.19 -31.37 71.72 Favored 'General case' 0 N--CA 1.42 -1.941 0 O-C-N 120.47 -1.394 . . . . 100.0 110.605 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . 0.281 5.9 mt -67.34 -35.05 78.6 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 122.626 1.203 . . . . 45.79 110.243 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -65.04 -39.35 93.21 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.928 -1.033 . . . . 100.0 111.275 -178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -61.53 -55.14 34.27 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 127.02 2.7 . . . . 100.0 109.766 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 30' ' ' VAL . 69.4 mt -52.51 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.391 -1.337 . . . . 75.69 107.391 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' B' ' 29' ' ' LEU . 21.7 t -21.65 -73.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.262 -0.881 . . . . 75.3 112.488 179.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . 0.493 ' N ' HG12 ' B' ' 30' ' ' VAL . . . 158.32 141.83 3.25 Favored Glycine 0 C--O 1.244 0.744 0 C-N-CA 120.145 -1.026 . . . . 95.94 111.977 -179.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.4 1.88 . . . . 100.0 111.654 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.521 . . . . . . . . 100.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ARG . . . . . 0.926 ' NH1' ' HB3' ' C' ' 1' ' ' ARG . 0.0 OUTLIER -74.45 -20.27 60.08 Favored 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 105.9 -6.32 . . . . 100.0 113.533 . . . . . . . . . 4 4 . 1 . 001 ecloud build full ' C' C ' 2' ' ' MET . . . . . 1.113 ' HE2' ' HB3' ' B' ' 1' ' ' ARG . 54.8 mmm -84.78 -31.92 23.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.737 179.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LYS . . . . . 0.567 ' NZ ' ' OE1' ' C' ' 6' ' ' GLU . 0.0 OUTLIER -71.83 -33.67 68.66 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 106.905 -1.517 . . . . 73.91 106.905 178.999 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -60.12 3.71 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 105.131 -2.174 . . . . 100.0 105.131 178.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' C' ' 5' ' ' LEU . 3.0 mt -50.59 -47.82 57.94 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.819 -1.537 . . . . 98.2 112.049 179.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' C' ' 52' ' ' HOH . 24.1 tt0 -55.8 -34.19 65.1 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 107.971 -1.122 . . . . 100.0 107.971 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' C' ' 3' ' ' LYS 0.318 41.0 m-20 -69.38 -39.91 77.74 Favored 'General case' 0 C--O 1.208 -1.109 0 N-CA-C 115.32 1.6 . . . . 93.06 115.32 -179.152 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -76.06 -36.13 59.14 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.944 0.878 . . . . 100.0 110.473 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 96.2 t -68.72 -33.97 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 N-CA-C 106.934 -1.506 . . . . 52.19 106.934 178.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' C' ' 6' ' ' GLU . 23.0 mt-10 -57.92 -45.34 86.68 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.691 -1.966 . . . . 100.0 105.691 179.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . 0.265 63.9 mt-10 -64.28 -50.93 65.95 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 124.356 1.035 . . . . 100.0 111.49 179.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.01 -30.13 67.77 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 124.582 2.134 . . . . 62.59 115.769 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' B' ' 8' ' ' LYS . 60.7 mt -66.73 -48.0 70.56 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 122.781 1.277 . . . . 60.57 108.018 -179.134 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -44.55 91.55 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.758 2.132 . . . . 37.64 116.758 -178.946 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -68.38 -31.31 70.58 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-O 117.901 -1.047 . . . . 100.0 110.996 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLN . . . . . 0.659 HE22 ' HB2' ' B' ' 15' ' ' LYS . 29.2 tt0 -67.64 -45.82 74.24 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 125.402 1.689 . . . . 99.49 110.886 -179.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.95 -46.52 87.83 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 120.786 -1.196 . . . . 50.66 111.734 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' C' ' 86' ' ' HOH . 4.7 m-70 -66.49 -36.66 83.29 Favored 'General case' 0 CA--C 1.56 1.346 0 O-C-N 120.466 -1.396 . . . . 91.55 107.966 178.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' C' ' 19' ' ' LEU . 6.7 mt -60.17 -59.95 4.59 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 119.725 -1.859 . . . . 41.63 111.365 179.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -46.28 -47.35 18.23 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 118.427 -0.797 . . . . 99.56 110.61 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -53.35 -54.09 41.61 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.535 2.734 . . . . 68.45 109.667 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . 0.66 ' OE1' ' HD2' ' A' ' 27' ' ' LYS . 24.2 mm-40 -55.84 -52.28 64.57 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 125.406 1.482 . . . . 100.0 110.288 177.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.04 -47.98 88.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 N-CA-C 114.567 1.321 . . . . 42.92 114.567 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.36 82.77 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.807 0.443 . . . . 39.89 109.955 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . 0.529 ' NH2' ' OE1' ' A' ' 32' ' ' GLU . 27.1 ttt-85 -55.16 -56.21 22.48 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 126.865 2.603 . . . . 96.39 108.916 178.831 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.54 -46.04 80.88 Favored 'General case' 0 CA--C 1.488 -1.42 0 C-N-CA 124.93 1.292 . . . . 63.42 110.824 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LYS . . . . . 1.005 ' NZ ' ' HE ' ' B' ' 25' ' ' ARG . 25.4 tptt -52.45 -49.31 64.87 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.749 -1.204 . . . . 59.71 107.749 179.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -57.7 -56.38 22.73 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.902 1.281 . . . . 100.0 113.146 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -43.24 95.63 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 114.017 1.118 . . . . 54.06 114.017 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . 0.257 40.8 t -57.57 -65.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.163 0 N-CA-C 115.634 1.716 . . . . 55.98 115.634 -178.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.75 169.47 0.01 OUTLIER Glycine 0 CA--C 1.537 1.436 0 N-CA-C 118.975 2.35 . . . . 97.46 118.975 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 112.245 -1.978 . . . . 100.0 108.424 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . 0.674 ' O ' ' HG3' ' B' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . 0.552 ' O ' ' HD2' ' B' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 63' ' ' HOH . . . . . 0.657 ' O ' ' HG3' ' B' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 52' ' ' HOH . . . . . 0.645 ' O ' ' HB2' ' C' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 85' ' ' HOH . . . . . 0.455 ' O ' HD22 ' A' ' 12' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 86' ' ' HOH . . . . . 0.471 ' O ' ' HB3' ' C' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.498 . . . . . . . . 100.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.945 ' HA ' ' HG2' ' A' ' 4' ' ' GLN 0.361 11.0 ttt180 -61.72 -1.75 0.67 Allowed 'General case' 0 C--N 1.354 0.772 1 C-N-CA 154.746 13.219 . . . . 73.090000000000003 114.121 . . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . 0.433 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 30.9 tpp -118.06 -37.15 3.44 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 123.976 0.911 . . . . 72.870000000000005 109.771 179.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.27 -32.16 58.68 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 127.291 2.237 . . . . 81.950000000000003 106.997 178.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.945 ' HG2' ' HA ' ' A' ' 1' ' ' ARG . 0.0 OUTLIER -66.91 -45.69 77.13 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-N 114.137 -1.392 . . . . 100.0 108.825 179.675 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.639 ' H ' ' HG3' ' A' ' 4' ' ' GLN . 31.3 tp -63.59 -48.68 76.38 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 123.274 1.512 . . . . 71.799999999999997 110.758 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 2' ' ' MET . 81.3 mt-10 -58.19 -39.92 80.18 Favored 'General case' 0 C--O 1.253 1.246 0 CA-C-N 112.809 -1.996 . . . . 100.0 112.513 -179.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -72.53 -29.51 63.65 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 112.622 -2.081 . . . . 85.829999999999998 109.538 178.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -80.15 -41.06 26.12 Favored 'General case' 0 C--O 1.212 -0.901 0 N-CA-C 107.869 -1.16 . . . . 100.0 107.869 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.8 t -57.19 -24.99 22.14 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 C-N-CA 117.569 -1.652 . . . . 39.649999999999999 110.7 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.08 -39.84 40.35 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 118.848 -1.141 . . . . 100.0 111.748 179.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -55.33 -50.1 70.49 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 119.942 -1.724 . . . . 81.959999999999994 107.779 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' HG ' HD23 ' B' ' 13' ' ' LEU . 8.6 mt -58.31 -42.86 87.61 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.384 1.074 . . . . 56.32 113.591 179.184 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 mt -65.76 -39.24 90.86 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.156 -0.929 . . . . 65.530000000000001 110.077 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -49.83 55.26 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 114.485 -1.234 . . . . 100.0 114.216 -179.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -67.5 -37.02 82.21 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.297 0.998 . . . . 84.439999999999998 110.549 179.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.763 HE22 HD12 ' C' ' 19' ' ' LEU . 72.2 tp60 -56.12 -45.03 79.67 Favored 'General case' 0 C--O 1.245 0.824 0 C-N-CA 124.279 1.032 . . . . 100.0 112.363 179.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -62.98 -48.73 77.57 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.433 1.493 . . . . 46.649999999999999 109.638 179.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.582 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 49.3 t-80 -60.76 -49.85 75.85 Favored 'General case' 0 N--CA 1.413 -2.322 0 CA-C-O 117.861 -1.066 . . . . 89.060000000000002 112.173 -179.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' B' ' 20' ' ' GLU . 14.1 mt -59.06 -37.04 76.11 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 125.619 1.568 . . . . 71.939999999999998 113.644 179.765 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.6 -30.43 68.18 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.656 -1.979 . . . . 100.0 105.656 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.348 86.6 m-20 -68.2 -46.28 71.05 Favored 'General case' 0 CA--C 1.482 -1.653 0 C-N-CA 117.646 -1.621 . . . . 57.82 111.835 -179.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -57.13 -43.52 82.47 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 125.801 1.938 . . . . 100.0 114.02 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.29 -36.7 37.28 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.158 0 C-N-CA 124.637 1.175 . . . . 32.700000000000003 112.534 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.0 85.57 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 122.851 1.31 . . . . 37.200000000000003 111.273 179.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 -70.44 -57.55 4.68 Favored 'General case' 0 C--O 1.213 -0.831 0 C-N-CA 125.228 1.411 . . . . 100.0 109.328 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 26' ' ' LEU . 10.5 mt -49.05 -30.01 5.75 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 111.672 0.249 . . . . 86.409999999999997 111.672 179.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.66 ' HD2' ' OE1' ' C' ' 22' ' ' GLU . 18.5 mtpt -66.99 -52.45 42.42 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 108.779 -0.823 . . . . 100.0 108.779 -179.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -64.51 -37.02 86.08 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 124.05 0.844 . . . . 72.260000000000005 109.532 179.314 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.4 mt -67.38 -12.27 59.8 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 124.873 1.358 . . . . 74.590000000000003 113.303 179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.56 HG12 ' HG2' ' A' ' 32' ' ' GLU . 22.8 t -117.53 -6.11 11.61 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 O-C-N 126.184 2.178 . . . . 91.549999999999997 112.123 -179.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.49 -37.85 3.3 Favored Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 110.224 -1.151 . . . . 100.0 110.224 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.56 ' HG2' HG12 ' A' ' 30' ' ' VAL . 70.4 mm-40 . . . . . 0 C--O 1.243 0.724 0 N-CA-C 114.542 1.312 . . . . 100.0 114.542 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 . . . . . . . . 51.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 1.113 ' HB3' ' HE2' ' C' ' 2' ' ' MET . 15.8 mtt180 -18.39 -77.19 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 129.521 3.129 . . . . 100.0 112.473 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.717 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 0.0 OUTLIER -48.68 -56.43 8.54 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.887 1.44 . . . . 99.25 114.887 179.838 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -53.83 -47.83 70.54 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 116.331 1.975 . . . . 86.0 116.331 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -57.57 -52.53 65.05 Favored 'General case' 0 N--CA 1.438 -1.053 0 O-C-N 125.977 2.048 . . . . 100.0 107.626 179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.445 HD12 ' CE ' ' C' ' 2' ' ' MET . 18.1 mt -55.87 -57.34 12.48 Favored 'General case' 0 C--O 1.216 -0.704 0 CA-C-N 114.48 -1.236 . . . . 79.109999999999999 107.91 179.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.717 ' HG3' ' O ' ' B' ' 2' ' ' MET . 18.9 mt-10 -48.68 -38.2 20.65 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 122.615 1.198 . . . . 94.890000000000001 112.18 179.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -63.18 -60.07 3.91 Favored 'General case' 0 N--CA 1.426 -1.66 0 C-N-CA 116.792 -1.963 . . . . 100.0 109.85 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.569 ' HE3' HD21 ' C' ' 13' ' ' LEU . 17.4 tptt -54.19 -20.82 7.5 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 115.786 1.773 . . . . 55.950000000000003 115.786 -179.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.8 t -87.16 -32.71 6.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.679 0 O-C-N 121.019 -1.051 . . . . 54.509999999999998 111.51 -178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -75.95 -25.06 55.56 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-O 122.83 1.3 . . . . 100.0 113.049 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.715 ' O ' ' HG3' ' B' ' 15' ' ' LYS . 4.0 tt0 -76.02 -48.74 19.8 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.961 2.104 . . . . 100.0 108.045 178.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.491 HD21 HD23 ' C' ' 13' ' ' LEU . 10.3 mt -63.77 -35.88 82.06 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.555 -0.748 . . . . 50.170000000000002 109.949 177.813 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.584 HD23 ' HG ' ' A' ' 12' ' ' LEU . 6.2 mt -73.81 -30.04 62.5 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 124.442 2.068 . . . . 49.149999999999999 107.142 -179.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -68.67 -51.75 38.46 Favored 'General case' 0 N--CA 1.419 -2.019 0 C-N-CA 117.886 -1.526 . . . . 55.07 108.375 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.715 ' HG3' ' O ' ' B' ' 11' ' ' GLU . 13.5 mttp -57.43 -39.48 76.33 Favored 'General case' 0 CA--C 1.498 -1.025 0 O-C-N 126.12 2.137 . . . . 59.369999999999997 113.893 -179.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.71 ' O ' ' HG3' ' B' ' 20' ' ' GLU . 21.0 tt0 -61.0 -41.51 96.65 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.89 -1.505 . . . . 61.75 114.57 179.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -59.48 -44.95 92.94 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.177 1.791 . . . . 100.0 109.656 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.552 ' HD2' ' O ' ' B' ' 53' ' ' HOH . 11.8 t-80 -66.4 -50.2 64.24 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-N 115.037 -0.983 . . . . 84.760000000000005 110.038 178.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.32 -42.48 52.79 Favored 'General case' 0 C--O 1.217 -0.608 0 CA-C-O 122.166 0.984 . . . . 42.350000000000001 111.711 179.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . 0.83 ' HG2' HD11 ' A' ' 19' ' ' LEU . 23.6 mt-10 -68.51 -40.51 80.79 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 113.399 0.889 . . . . 99.030000000000001 113.399 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -61.75 -38.82 89.39 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 124.539 1.149 . . . . 68.319999999999993 108.687 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.657 ' HG3' ' O ' ' B' ' 63' ' ' HOH . 23.0 mm-40 -63.82 -45.25 90.42 Favored 'General case' 0 C--N 1.363 1.176 0 C-N-CA 125.66 1.584 . . . . 100.0 113.853 178.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 4.9 t -68.0 -37.37 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.024 0 C-N-CA 125.239 1.416 . . . . 34.18 108.983 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.58 85.0 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 106.649 -1.611 . . . . 50.439999999999998 106.649 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 1.005 ' HE ' ' NZ ' ' C' ' 27' ' ' LYS . 4.2 ttt85 -67.19 -31.37 71.72 Favored 'General case' 0 N--CA 1.42 -1.941 0 O-C-N 120.47 -1.394 . . . . 100.0 110.605 178.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . 0.281 5.9 mt -67.34 -35.05 78.6 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 122.626 1.203 . . . . 45.789999999999999 110.243 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -65.04 -39.35 93.21 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.928 -1.033 . . . . 100.0 111.275 -178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -61.53 -55.14 34.27 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 127.02 2.7 . . . . 100.0 109.766 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 30' ' ' VAL . 69.4 mt -52.51 -86.79 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 107.391 -1.337 . . . . 75.689999999999998 107.391 178.667 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.515 ' C ' ' O ' ' B' ' 29' ' ' LEU . 21.7 t -21.65 -73.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.262 -0.881 . . . . 75.299999999999997 112.488 179.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.493 ' N ' HG12 ' B' ' 30' ' ' VAL . . . 158.32 141.83 3.25 Favored Glycine 0 C--O 1.244 0.744 0 C-N-CA 120.145 -1.026 . . . . 95.939999999999998 111.977 -179.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.146 0 C-N-CA 126.4 1.88 . . . . 100.0 111.654 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.521 . . . . . . . . 100.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ARG . . . . . 0.926 ' NH1' ' HB3' ' C' ' 1' ' ' ARG . 0.0 OUTLIER -74.45 -20.27 60.08 Favored 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 105.9 -6.32 . . . . 100.0 113.533 . . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' MET . . . . . 1.113 ' HE2' ' HB3' ' B' ' 1' ' ' ARG . 54.8 mmm -84.78 -31.92 23.68 Favored 'General case' 0 N--CA 1.44 -0.929 0 CA-C-N 115.278 -0.874 . . . . 100.0 110.737 179.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LYS . . . . . 0.567 ' NZ ' ' OE1' ' C' ' 6' ' ' GLU . 0.0 OUTLIER -71.83 -33.67 68.66 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 106.905 -1.517 . . . . 73.909999999999997 106.905 178.999 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.58 -60.12 3.71 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 105.131 -2.174 . . . . 100.0 105.131 178.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' C' ' 5' ' ' LEU . 3.0 mt -50.59 -47.82 57.94 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.819 -1.537 . . . . 98.200000000000003 112.049 179.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . 0.645 ' HB2' ' O ' ' C' ' 52' ' ' HOH . 24.1 tt0 -55.8 -34.19 65.1 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 107.971 -1.122 . . . . 100.0 107.971 179.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ASP . . . . . 0.413 ' OD2' ' O ' ' C' ' 3' ' ' LYS 0.318 41.0 m-20 -69.38 -39.91 77.74 Favored 'General case' 0 C--O 1.208 -1.109 0 N-CA-C 115.32 1.6 . . . . 93.060000000000002 115.32 -179.152 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -76.06 -36.13 59.14 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 121.944 0.878 . . . . 100.0 110.473 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' VAL . . . . . 0.47 ' O ' ' HG ' ' C' ' 13' ' ' LEU . 96.2 t -68.72 -33.97 62.39 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 N-CA-C 106.934 -1.506 . . . . 52.189999999999998 106.934 178.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.603 ' HG3' ' O ' ' C' ' 6' ' ' GLU . 23.0 mt-10 -57.92 -45.34 86.68 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.691 -1.966 . . . . 100.0 105.691 179.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . 0.265 63.9 mt-10 -64.28 -50.93 65.95 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 124.356 1.035 . . . . 100.0 111.49 179.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 mt -59.01 -30.13 67.77 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 124.582 2.134 . . . . 62.590000000000003 115.769 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' B' ' 8' ' ' LYS . 60.7 mt -66.73 -48.0 70.56 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-O 122.781 1.277 . . . . 60.57 108.018 -179.134 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.22 -44.55 91.55 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 116.758 2.132 . . . . 37.640000000000001 116.758 -178.946 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mtmt -68.38 -31.31 70.58 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-O 117.901 -1.047 . . . . 100.0 110.996 -179.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.659 HE22 ' HB2' ' B' ' 15' ' ' LYS . 29.2 tt0 -67.64 -45.82 74.24 Favored 'General case' 0 CA--C 1.564 1.494 0 O-C-N 125.402 1.689 . . . . 99.489999999999995 110.886 -179.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -58.95 -46.52 87.83 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 120.786 -1.196 . . . . 50.659999999999997 111.734 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HIS . . . . . 0.471 ' HB3' ' O ' ' C' ' 86' ' ' HOH . 4.7 m-70 -66.49 -36.66 83.29 Favored 'General case' 0 CA--C 1.56 1.346 0 O-C-N 120.466 -1.396 . . . . 91.549999999999997 107.966 178.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.763 HD12 HE22 ' A' ' 16' ' ' GLN . 6.7 mt -60.17 -59.95 4.59 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 119.725 -1.859 . . . . 41.630000000000003 111.365 179.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -46.28 -47.35 18.23 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 118.427 -0.797 . . . . 99.560000000000002 110.61 178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -53.35 -54.09 41.61 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 128.535 2.734 . . . . 68.450000000000003 109.667 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.66 ' OE1' ' HD2' ' A' ' 27' ' ' LYS . 24.2 mm-40 -55.84 -52.28 64.57 Favored 'General case' 0 C--O 1.219 -0.51 0 C-N-CA 125.406 1.482 . . . . 100.0 110.288 177.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -59.04 -47.98 88.18 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 N-CA-C 114.567 1.321 . . . . 42.920000000000002 114.567 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.78 -47.36 82.77 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 122.807 0.443 . . . . 39.890000000000001 109.955 -179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . 0.529 ' NH2' ' OE1' ' A' ' 32' ' ' GLU . 27.1 ttt-85 -55.16 -56.21 22.48 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 126.865 2.603 . . . . 96.390000000000001 108.916 178.831 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 5.9 mt -56.54 -46.04 80.88 Favored 'General case' 0 CA--C 1.488 -1.42 0 C-N-CA 124.93 1.292 . . . . 63.420000000000002 110.824 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LYS . . . . . 1.005 ' NZ ' ' HE ' ' B' ' 25' ' ' ARG . 25.4 tptt -52.45 -49.31 64.87 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.749 -1.204 . . . . 59.710000000000001 107.749 179.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -57.7 -56.38 22.73 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.902 1.281 . . . . 100.0 113.146 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.08 -43.24 95.63 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 114.017 1.118 . . . . 54.060000000000002 114.017 -179.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . 0.257 40.8 t -57.57 -65.5 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.163 0 N-CA-C 115.634 1.716 . . . . 55.979999999999997 115.634 -178.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 49.75 169.47 0.01 OUTLIER Glycine 0 CA--C 1.537 1.436 0 N-CA-C 118.975 2.35 . . . . 97.459999999999994 118.975 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-N 112.245 -1.978 . . . . 100.0 108.424 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.582 ' O ' ' HB2' ' A' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . 0.674 ' O ' ' HG3' ' B' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . 0.552 ' O ' ' HD2' ' B' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' HOH . . . . . 0.657 ' O ' ' HG3' ' B' ' 22' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' HOH . . . . . 0.645 ' O ' ' HB2' ' C' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' HOH . . . . . 0.455 ' O ' HD22 ' A' ' 12' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' HOH . . . . . 0.471 ' O ' ' HB3' ' C' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_