data_3cr4_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 3cr4 _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 ' X' X ' 0' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 112.046 0.387 . . . . 39.43 112.046 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 34.0 p -77.24 169.28 18.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.941 -0.572 . . . . 34.899999999999999 109.854 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.28 -43.36 99.0 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.126 0.266 . . . . 37.799999999999997 111.237 174.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -50.62 70.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.775 0.321 . . . . 31.260000000000002 111.094 173.856 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -60.86 -39.32 88.73 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.065 0.765 . . . . 32.25 113.065 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -67.53 -36.42 80.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.925 -0.125 . . . . 36.700000000000003 111.233 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.1 93.7 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 123.138 0.274 . . . . 31.559999999999999 111.226 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.98 -50.39 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.032 -0.531 . . . . 32.420000000000002 111.69 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.42 -37.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 119.884 -0.726 . . . . 33.780000000000001 111.522 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -35.79 70.17 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.838 0.31 . . . . 32.009999999999998 111.838 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.4 -39.47 85.57 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.658 0.266 . . . . 33.119999999999997 111.206 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.11 -40.42 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.628 -0.714 . . . . 34.869999999999997 110.75 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 12' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -58.25 -52.56 65.05 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.682 -0.199 . . . . 39.990000000000002 110.827 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 4.1 p -64.1 -37.34 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 113.388 0.885 . . . . 35.109999999999999 113.388 -175.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.56 -50.08 72.95 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.651 -0.5 . . . . 37.079999999999998 109.651 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 15' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.17 -25.83 59.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 116.716 2.117 . . . . 42.68 116.716 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -28.12 65.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 119.905 -0.718 . . . . 44.859999999999999 109.528 172.323 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 17' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.69 -34.63 7.25 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 114.181 1.178 . . . . 35.990000000000002 114.181 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 29.9 p -69.12 -34.08 74.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.783 1.031 . . . . 35.039999999999999 113.783 -174.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.46 -3.1 90.71 Favored Glycine 0 N--CA 1.466 0.645 0 N-CA-C 115.609 1.004 . . . . 36.259999999999998 115.609 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.09 -38.89 75.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.891 0.7 . . . . 42.670000000000002 112.891 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.64 147.47 46.9 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.754 0.422 . . . . 36.18 111.418 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.98 -128.39 11.63 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 115.266 0.866 . . . . 35.009999999999998 115.266 172.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.08 118.41 5.81 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.485 -0.932 . . . . 35.200000000000003 108.485 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -69.37 -18.34 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.113 0.783 . . . . 39.950000000000003 113.113 -174.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -105.74 10.05 32.86 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.559 1.318 . . . . 37.719999999999999 114.559 -174.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -136.73 151.56 49.37 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.398 -0.364 . . . . 36.68 111.272 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 27' ' ' LEU . . . . . . . . . . . . . 14.6 mt -96.22 111.61 23.61 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.013 -1.106 . . . . 32.390000000000001 108.013 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -76.48 168.74 19.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.07 -1.085 . . . . 34.850000000000001 108.07 167.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -49.11 -48.72 44.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.511 0.93 . . . . 39.43 113.511 -175.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 30' ' ' SER . . . . . . . . . . . . . 90.3 p -60.77 -36.74 79.73 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.797 1.036 . . . . 35.200000000000003 113.797 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -70.0 -40.61 75.19 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.852 0.686 . . . . 32.829999999999998 112.852 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -44.44 96.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.075 0.95 . . . . 33.289999999999999 111.996 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.62 -45.46 77.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.866 0.466 . . . . 31.510000000000002 111.164 172.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.11 -45.68 90.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.932 -0.576 . . . . 38.380000000000003 111.494 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.81 -49.26 78.41 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.913 0.758 . . . . 30.949999999999999 110.695 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.54 -51.54 71.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 O-C-N 123.167 0.292 . . . . 30.309999999999999 111.424 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -63.65 -33.81 76.45 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.488 1.292 . . . . 31.199999999999999 114.488 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -95.82 -28.72 14.6 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.68 1.733 . . . . 33.439999999999998 115.68 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -114.02 -11.51 12.74 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.324 1.231 . . . . 33.990000000000002 114.324 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -129.46 34.27 4.38 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.946 0.721 . . . . 32.259999999999998 112.946 178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -69.8 -19.69 63.48 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 114.35 1.241 . . . . 33.439999999999998 114.35 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 42' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -95.41 -23.84 16.97 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.487 . . . . 35.0 112.316 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -97.93 -26.8 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.134 0.42 . . . . 36.240000000000002 112.134 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.14 144.13 51.15 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.008 0.744 . . . . 36.509999999999998 113.008 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.19 137.66 58.06 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.472 -0.936 . . . . 39.460000000000001 108.472 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.63 135.21 54.94 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.252 0.345 . . . . 36.840000000000003 111.558 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 47' ' ' ILE . . . . . . . . . . . . . 72.1 mt -89.75 117.5 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.485 -0.561 . . . . 36.969999999999999 109.485 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -112.73 -22.54 10.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.814 0.672 . . . . 39.57 112.814 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.72 139.81 38.99 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 122.68 0.392 . . . . 40.420000000000002 112.055 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -60.67 -36.49 78.83 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.871 0.367 . . . . 44.060000000000002 111.716 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 51' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -51.35 -42.32 61.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.905 0.882 . . . . 41.920000000000002 112.21 173.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 52' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.49 -39.13 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.683 -0.235 . . . . 38.960000000000001 111.595 -177.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.45 -44.9 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.812 -0.44 . . . . 38.43 109.812 174.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -57.29 -48.43 78.94 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 123.521 0.513 . . . . 38.43 111.82 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 55' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -66.5 -37.0 84.11 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.785 0.661 . . . . 38.939999999999998 112.785 -178.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 56' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.89 -44.07 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.384 -0.598 . . . . 33.770000000000003 109.384 175.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 57' ' ' MET . . . . . . . . . . . . . 52.5 tpp -65.67 -36.42 83.6 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.773 0.657 . . . . 34.07 112.773 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.54 -36.19 79.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.851 0.296 . . . . 37.329999999999998 110.344 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -69.47 -42.41 74.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.59 -0.522 . . . . 35.119999999999997 109.59 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -81.35 -27.33 34.96 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.913 1.079 . . . . 35.68 113.913 -171.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -82.87 95.0 7.8 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.067 -0.515 . . . . 36.030000000000001 110.599 -172.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 62' ' ' SER . . . . . . . . . . . . . 28.0 m -87.2 -13.27 44.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.691 1.367 . . . . 36.079999999999998 114.691 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -112.97 7.55 18.21 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.236 0.828 . . . . 35.469999999999999 113.236 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.31 17.73 77.73 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 116.359 1.303 . . . . 35.530000000000001 116.359 167.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -89.78 2.46 54.86 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.358 0.873 . . . . 38.57 113.358 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.82 7.09 83.38 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 116.187 -0.461 . . . . 34.829999999999998 113.911 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.92 162.5 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 122.788 0.435 . . . . 33.960000000000001 111.244 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.06 109.24 21.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.143 -0.688 . . . . 34.359999999999999 109.143 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -84.54 -174.09 5.09 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.661 0.245 . . . . 34.5 111.661 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 70' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.12 -43.33 87.48 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.906 1.076 . . . . 36.350000000000001 113.906 -172.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.43 72.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 118.765 -1.174 . . . . 44.710000000000001 111.805 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 72' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -66.25 -35.19 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 34.43 110.895 172.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -65.51 -39.46 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 34.75 111.979 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 74' ' ' MET . . . . . . . . . . . . . 62.5 mmm -62.59 -38.05 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.812 0.301 . . . . 44.600000000000001 111.812 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.28 94.61 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.712 -0.395 . . . . 33.969999999999999 110.499 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -52.86 -50.06 64.56 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.08 0.552 . . . . 33.950000000000003 111.977 172.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 77' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.11 -41.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 112.166 0.432 . . . . 31.780000000000001 112.166 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.19 91.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.771 0.656 . . . . 33.68 112.771 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 79' ' ' MET . . . . . . . . . . . . . 43.6 mtt -59.03 -49.31 78.39 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.493 0.717 . . . . 40.689999999999998 111.427 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 80' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.62 -50.95 77.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 123.09 0.556 . . . . 34.770000000000003 111.782 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 81' ' ' THR . . . . . . . . . . . . . 33.3 m -59.7 -46.4 89.2 Favored 'General case' 0 C--O 1.223 -0.299 0 O-C-N 123.368 0.418 . . . . 32.340000000000003 111.366 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 82' ' ' THR . . . . . . . . . . . . . 78.3 m -56.48 -42.82 78.91 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.423 0.157 . . . . 33.409999999999997 111.423 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.1 93.7 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.514 0.561 . . . . 34.780000000000001 112.514 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 84' ' ' CYS . . . . . 0.588 ' CB ' ' O ' ' X' ' 125' ' ' HOH . 49.8 t -59.71 -46.72 88.25 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.841 -0.429 . . . . 37.219999999999999 109.841 174.775 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' X' X ' 85' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -56.6 -36.42 69.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.586 -0.734 . . . . 37.560000000000002 110.863 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 86' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -86.84 11.51 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.815 0.672 . . . . 42.369999999999997 112.815 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 87' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.331 1.053 . . . . 43.219999999999999 112.834 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 88' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 59.25 53.57 5.28 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.297 1.039 . . . . 43.969999999999999 113.701 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 116.265 1.95 . . . . 45.539999999999999 116.265 175.691 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 101' ' ' PNT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 102' ' ' PNT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 125' ' ' HOH . . . . . 0.588 ' O ' ' CB ' ' X' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 0' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 112.046 0.387 . . . . 39.43 112.046 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 34.0 p -77.24 169.28 18.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.941 -0.572 . . . . 34.899999999999999 109.854 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.28 -43.36 99.0 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.126 0.266 . . . . 37.799999999999997 111.237 174.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -50.62 70.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.775 0.321 . . . . 31.260000000000002 111.094 173.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -60.86 -39.32 88.73 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.065 0.765 . . . . 32.25 113.065 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -67.53 -36.42 80.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.925 -0.125 . . . . 36.700000000000003 111.233 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.1 93.7 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 123.138 0.274 . . . . 31.559999999999999 111.226 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.98 -50.39 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.032 -0.531 . . . . 32.420000000000002 111.69 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.42 -37.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 119.884 -0.726 . . . . 33.780000000000001 111.522 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -35.79 70.17 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.838 0.31 . . . . 32.009999999999998 111.838 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.4 -39.47 85.57 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.658 0.266 . . . . 33.119999999999997 111.206 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.11 -40.42 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.628 -0.714 . . . . 34.869999999999997 110.75 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 12' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' X' ' 16' ' ' GLN . 73.3 m-20 -58.25 -52.56 65.05 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.682 -0.199 . . . . 39.990000000000002 110.827 179.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 13' ' ' VAL . . . . . 0.539 ' HA ' ' HG2' ' X' ' 16' ' ' GLN . 4.1 p -64.1 -37.34 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 113.388 0.885 . . . . 35.109999999999999 113.388 -175.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.56 -50.08 72.95 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.651 -0.5 . . . . 37.079999999999998 109.651 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 15' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.17 -25.83 59.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 116.716 2.117 . . . . 42.68 116.716 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 16' ' ' GLN . . . . . 0.539 ' HG2' ' HA ' ' X' ' 13' ' ' VAL . 0.0 OUTLIER -58.89 -28.12 65.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 119.905 -0.718 . . . . 44.859999999999999 109.528 172.323 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' X' X ' 17' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.69 -34.63 7.25 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 114.181 1.178 . . . . 35.990000000000002 114.181 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 29.9 p -69.12 -34.08 74.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.783 1.031 . . . . 35.039999999999999 113.783 -174.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.46 -3.1 90.71 Favored Glycine 0 N--CA 1.466 0.645 0 N-CA-C 115.609 1.004 . . . . 36.259999999999998 115.609 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.09 -38.89 75.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.891 0.7 . . . . 42.670000000000002 112.891 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.64 147.47 46.9 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.754 0.422 . . . . 36.18 111.418 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.98 -128.39 11.63 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 115.266 0.866 . . . . 35.009999999999998 115.266 172.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.08 118.41 5.81 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.485 -0.932 . . . . 35.200000000000003 108.485 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -69.37 -18.34 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.113 0.783 . . . . 39.950000000000003 113.113 -174.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -105.74 10.05 32.86 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.559 1.318 . . . . 37.719999999999999 114.559 -174.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -136.73 151.56 49.37 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.398 -0.364 . . . . 36.68 111.272 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 27' ' ' LEU . . . . . . . . . . . . . 14.6 mt -96.22 111.61 23.61 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.013 -1.106 . . . . 32.390000000000001 108.013 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -76.48 168.74 19.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.07 -1.085 . . . . 34.850000000000001 108.07 167.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -49.11 -48.72 44.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.511 0.93 . . . . 39.43 113.511 -175.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 30' ' ' SER . . . . . . . . . . . . . 90.3 p -60.77 -36.74 79.73 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.797 1.036 . . . . 35.200000000000003 113.797 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -70.0 -40.61 75.19 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.852 0.686 . . . . 32.829999999999998 112.852 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -44.44 96.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.075 0.95 . . . . 33.289999999999999 111.996 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.62 -45.46 77.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.866 0.466 . . . . 31.510000000000002 111.164 172.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.11 -45.68 90.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.932 -0.576 . . . . 38.380000000000003 111.494 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.81 -49.26 78.41 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.913 0.758 . . . . 30.949999999999999 110.695 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.54 -51.54 71.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 O-C-N 123.167 0.292 . . . . 30.309999999999999 111.424 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 37' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -63.65 -33.81 76.45 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.488 1.292 . . . . 31.199999999999999 114.488 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -95.82 -28.72 14.6 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.68 1.733 . . . . 33.439999999999998 115.68 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -114.02 -11.51 12.74 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.324 1.231 . . . . 33.990000000000002 114.324 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -129.46 34.27 4.38 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.946 0.721 . . . . 32.259999999999998 112.946 178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -69.8 -19.69 63.48 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 114.35 1.241 . . . . 33.439999999999998 114.35 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 42' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -95.41 -23.84 16.97 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.487 . . . . 35.0 112.316 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -97.93 -26.8 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.134 0.42 . . . . 36.240000000000002 112.134 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.14 144.13 51.15 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.008 0.744 . . . . 36.509999999999998 113.008 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.19 137.66 58.06 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.472 -0.936 . . . . 39.460000000000001 108.472 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.63 135.21 54.94 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.252 0.345 . . . . 36.840000000000003 111.558 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 47' ' ' ILE . . . . . . . . . . . . . 72.1 mt -89.75 117.5 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.485 -0.561 . . . . 36.969999999999999 109.485 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -112.73 -22.54 10.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.814 0.672 . . . . 39.57 112.814 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.72 139.81 38.99 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 122.68 0.392 . . . . 40.420000000000002 112.055 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -60.67 -36.49 78.83 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.871 0.367 . . . . 44.060000000000002 111.716 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' HE3' ' X' ' 55' ' ' LYS . 41.1 tt0 -51.35 -42.32 61.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.905 0.882 . . . . 41.920000000000002 112.21 173.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 52' ' ' VAL . . . . . 0.454 ' O ' HG23 ' X' ' 56' ' ' VAL . 93.2 t -70.49 -39.13 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.683 -0.235 . . . . 38.960000000000001 111.595 -177.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.45 -44.9 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.812 -0.44 . . . . 38.43 109.812 174.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -57.29 -48.43 78.94 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 123.521 0.513 . . . . 38.43 111.82 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 55' ' ' LYS . . . . . 0.424 ' HE3' ' HG2' ' X' ' 51' ' ' GLU . 73.8 mttt -66.5 -37.0 84.11 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.785 0.661 . . . . 38.939999999999998 112.785 -178.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 56' ' ' VAL . . . . . 0.454 HG23 ' O ' ' X' ' 52' ' ' VAL . 45.8 t -66.89 -44.07 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.384 -0.598 . . . . 33.770000000000003 109.384 175.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 57' ' ' MET . . . . . . . . . . . . . 52.5 tpp -65.67 -36.42 83.6 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.773 0.657 . . . . 34.07 112.773 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.54 -36.19 79.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.851 0.296 . . . . 37.329999999999998 110.344 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -69.47 -42.41 74.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.59 -0.522 . . . . 35.119999999999997 109.59 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -81.35 -27.33 34.96 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.913 1.079 . . . . 35.68 113.913 -171.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -82.87 95.0 7.8 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.067 -0.515 . . . . 36.030000000000001 110.599 -172.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 62' ' ' SER . . . . . . . . . . . . . 28.0 m -87.2 -13.27 44.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.691 1.367 . . . . 36.079999999999998 114.691 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -112.97 7.55 18.21 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.236 0.828 . . . . 35.469999999999999 113.236 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.31 17.73 77.73 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 116.359 1.303 . . . . 35.530000000000001 116.359 167.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -89.78 2.46 54.86 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.358 0.873 . . . . 38.57 113.358 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.82 7.09 83.38 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 116.187 -0.461 . . . . 34.829999999999998 113.911 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.92 162.5 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 122.788 0.435 . . . . 33.960000000000001 111.244 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.06 109.24 21.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.143 -0.688 . . . . 34.359999999999999 109.143 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -84.54 -174.09 5.09 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.661 0.245 . . . . 34.5 111.661 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 70' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.12 -43.33 87.48 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.906 1.076 . . . . 36.350000000000001 113.906 -172.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.43 72.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 118.765 -1.174 . . . . 44.710000000000001 111.805 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 72' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -66.25 -35.19 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 34.43 110.895 172.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -65.51 -39.46 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 34.75 111.979 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 74' ' ' MET . . . . . . . . . . . . . 62.5 mmm -62.59 -38.05 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.812 0.301 . . . . 44.600000000000001 111.812 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.28 94.61 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.712 -0.395 . . . . 33.969999999999999 110.499 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -52.86 -50.06 64.56 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.08 0.552 . . . . 33.950000000000003 111.977 172.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 77' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.11 -41.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 112.166 0.432 . . . . 31.780000000000001 112.166 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.19 91.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.771 0.656 . . . . 33.68 112.771 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 79' ' ' MET . . . . . . . . . . . . . 43.6 mtt -59.03 -49.31 78.39 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.493 0.717 . . . . 40.689999999999998 111.427 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 80' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.62 -50.95 77.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 123.09 0.556 . . . . 34.770000000000003 111.782 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 81' ' ' THR . . . . . . . . . . . . . 33.3 m -59.7 -46.4 89.2 Favored 'General case' 0 C--O 1.223 -0.299 0 O-C-N 123.368 0.418 . . . . 32.340000000000003 111.366 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 82' ' ' THR . . . . . . . . . . . . . 78.3 m -56.48 -42.82 78.91 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.423 0.157 . . . . 33.409999999999997 111.423 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.1 93.7 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.514 0.561 . . . . 34.780000000000001 112.514 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 84' ' ' CYS . . . . . 0.977 ' HB2' ' O ' ' X' ' 125' ' ' HOH . 49.8 t -59.71 -46.72 88.25 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.841 -0.429 . . . . 37.219999999999999 109.841 174.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' X' X ' 85' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -56.6 -36.42 69.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.586 -0.734 . . . . 37.560000000000002 110.863 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 86' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -86.84 11.51 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.815 0.672 . . . . 42.369999999999997 112.815 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 87' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.331 1.053 . . . . 43.219999999999999 112.834 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 88' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 59.25 53.57 5.28 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.297 1.039 . . . . 43.969999999999999 113.701 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 116.265 1.95 . . . . 45.539999999999999 116.265 175.691 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 101' ' ' PNT . . . . . 0.545 " H2'" ' O ' ' X' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 102' ' ' PNT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 125' ' ' HOH . . . . . 0.977 ' O ' ' HB2' ' X' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 0' ' ' MET . . . . . . . . . . . . . 91.2 mtp . . . . . 0 N--CA 1.501 2.123 0 N-CA-C 112.046 0.387 . . . . 39.43 112.046 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 1' ' ' SER . . . . . . . . . . . . . 34.0 p -77.24 169.28 18.61 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.941 -0.572 . . . . 34.899999999999999 109.854 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 2' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.28 -43.36 99.0 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.126 0.266 . . . . 37.799999999999997 111.237 174.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.1 -50.62 70.52 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.775 0.321 . . . . 31.260000000000002 111.094 173.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -60.86 -39.32 88.73 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.065 0.765 . . . . 32.25 113.065 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -67.53 -36.42 80.99 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.925 -0.125 . . . . 36.700000000000003 111.233 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.1 93.7 Favored 'General case' 0 C--O 1.241 0.653 0 O-C-N 123.138 0.274 . . . . 31.559999999999999 111.226 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 7' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.98 -50.39 69.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.032 -0.531 . . . . 32.420000000000002 111.69 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.42 -37.05 78.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 119.884 -0.726 . . . . 33.780000000000001 111.522 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -35.79 70.17 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 111.838 0.31 . . . . 32.009999999999998 111.838 176.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -67.4 -39.47 85.57 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-O 120.658 0.266 . . . . 33.119999999999997 111.206 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 mt -71.11 -40.42 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.628 -0.714 . . . . 34.869999999999997 110.75 176.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 12' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' X' ' 16' ' ' GLN . 73.3 m-20 -58.25 -52.56 65.05 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 119.682 -0.199 . . . . 39.990000000000002 110.827 179.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 13' ' ' VAL . . . . . 0.539 ' HA ' ' HG2' ' X' ' 16' ' ' GLN . 4.1 p -64.1 -37.34 79.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 N-CA-C 113.388 0.885 . . . . 35.109999999999999 113.388 -175.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -56.56 -50.08 72.95 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.651 -0.5 . . . . 37.079999999999998 109.651 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 15' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -74.17 -25.83 59.95 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 116.716 2.117 . . . . 42.68 116.716 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 16' ' ' GLN . . . . . 0.539 ' HG2' ' HA ' ' X' ' 13' ' ' VAL . 0.0 OUTLIER -58.89 -28.12 65.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 119.905 -0.718 . . . . 44.859999999999999 109.528 172.323 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' X' X ' 17' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -106.69 -34.63 7.25 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 114.181 1.178 . . . . 35.990000000000002 114.181 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 18' ' ' SER . . . . . . . . . . . . . 29.9 p -69.12 -34.08 74.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.783 1.031 . . . . 35.039999999999999 113.783 -174.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.46 -3.1 90.71 Favored Glycine 0 N--CA 1.466 0.645 0 N-CA-C 115.609 1.004 . . . . 36.259999999999998 115.609 -176.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -70.09 -38.89 75.81 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.891 0.7 . . . . 42.670000000000002 112.891 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 21' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -136.64 147.47 46.9 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 122.754 0.422 . . . . 36.18 111.418 -175.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 22' ' ' GLY . . . . . . . . . . . . . . . 46.98 -128.39 11.63 Favored Glycine 0 N--CA 1.463 0.475 0 N-CA-C 115.266 0.866 . . . . 35.009999999999998 115.266 172.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.08 118.41 5.81 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.485 -0.932 . . . . 35.200000000000003 108.485 179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 24' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -69.37 -18.34 63.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.113 0.783 . . . . 39.950000000000003 113.113 -174.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 25' ' ' HIS . . . . . . . . . . . . . 77.9 m-70 -105.74 10.05 32.86 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 114.559 1.318 . . . . 37.719999999999999 114.559 -174.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 26' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -136.73 151.56 49.37 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.398 -0.364 . . . . 36.68 111.272 177.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 27' ' ' LEU . . . . . . . . . . . . . 14.6 mt -96.22 111.61 23.61 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 108.013 -1.106 . . . . 32.390000000000001 108.013 173.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 ptpt -76.48 168.74 19.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.07 -1.085 . . . . 34.850000000000001 108.07 167.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mtmm -49.11 -48.72 44.25 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 113.511 0.93 . . . . 39.43 113.511 -175.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 30' ' ' SER . . . . . . . . . . . . . 90.3 p -60.77 -36.74 79.73 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.797 1.036 . . . . 35.200000000000003 113.797 179.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 31' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -70.0 -40.61 75.19 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.852 0.686 . . . . 32.829999999999998 112.852 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 32' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -44.44 96.54 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.075 0.95 . . . . 33.289999999999999 111.996 177.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 33' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -55.62 -45.46 77.53 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.866 0.466 . . . . 31.510000000000002 111.164 172.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -63.11 -45.68 90.91 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 115.932 -0.576 . . . . 38.380000000000003 111.494 -178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tt -59.81 -49.26 78.41 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 123.913 0.758 . . . . 30.949999999999999 110.695 178.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 36' ' ' ILE . . . . . . . . . . . . . 75.6 mt -60.54 -51.54 71.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 O-C-N 123.167 0.292 . . . . 30.309999999999999 111.424 -179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 37' ' ' ASN . . . . . 0.78 HD21 ' H ' ' X' ' 47' ' ' ILE . 4.9 m120 -63.65 -33.81 76.45 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 114.488 1.292 . . . . 31.199999999999999 114.488 -178.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 38' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -95.82 -28.72 14.6 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 115.68 1.733 . . . . 33.439999999999998 115.68 -176.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 39' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -114.02 -11.51 12.74 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.324 1.231 . . . . 33.990000000000002 114.324 -173.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 40' ' ' LEU . . . . . . . . . . . . . 56.4 mt -129.46 34.27 4.38 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.946 0.721 . . . . 32.259999999999998 112.946 178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 41' ' ' SER . . . . . . . . . . . . . 73.4 p -69.8 -19.69 63.48 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 114.35 1.241 . . . . 33.439999999999998 114.35 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 42' ' ' HIS . . . . . . . . . . . . . 39.2 m80 -95.41 -23.84 16.97 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.316 0.487 . . . . 35.0 112.316 178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 43' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -97.93 -26.8 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.134 0.42 . . . . 36.240000000000002 112.134 -177.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 44' ' ' LEU . . . . . . . . . . . . . 71.9 mt -131.14 144.13 51.15 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 113.008 0.744 . . . . 36.509999999999998 113.008 -175.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.19 137.66 58.06 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.472 -0.936 . . . . 39.460000000000001 108.472 176.589 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 46' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.63 135.21 54.94 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 123.252 0.345 . . . . 36.840000000000003 111.558 179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 47' ' ' ILE . . . . . 0.78 ' H ' HD21 ' X' ' 37' ' ' ASN . 72.1 mt -89.75 117.5 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.485 -0.561 . . . . 36.969999999999999 109.485 176.509 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -112.73 -22.54 10.66 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.814 0.672 . . . . 39.57 112.814 179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -104.72 139.81 38.99 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 122.68 0.392 . . . . 40.420000000000002 112.055 -177.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 50' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -60.67 -36.49 78.83 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 120.871 0.367 . . . . 44.060000000000002 111.716 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' HE3' ' X' ' 55' ' ' LYS . 41.1 tt0 -51.35 -42.32 61.21 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.905 0.882 . . . . 41.920000000000002 112.21 173.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 52' ' ' VAL . . . . . 0.454 ' O ' HG23 ' X' ' 56' ' ' VAL . 93.2 t -70.49 -39.13 75.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.683 -0.235 . . . . 38.960000000000001 111.595 -177.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 53' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.45 -44.9 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 109.812 -0.44 . . . . 38.43 109.812 174.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -57.29 -48.43 78.94 Favored 'General case' 0 CA--C 1.521 -0.146 0 O-C-N 123.521 0.513 . . . . 38.43 111.82 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 55' ' ' LYS . . . . . 0.424 ' HE3' ' HG2' ' X' ' 51' ' ' GLU . 73.8 mttt -66.5 -37.0 84.11 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 112.785 0.661 . . . . 38.939999999999998 112.785 -178.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 56' ' ' VAL . . . . . 0.454 HG23 ' O ' ' X' ' 52' ' ' VAL . 45.8 t -66.89 -44.07 89.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.384 -0.598 . . . . 33.770000000000003 109.384 175.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 57' ' ' MET . . . . . . . . . . . . . 52.5 tpp -65.67 -36.42 83.6 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.773 0.657 . . . . 34.07 112.773 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 58' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -61.54 -36.19 79.88 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.851 0.296 . . . . 37.329999999999998 110.344 177.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 59' ' ' THR . . . . . . . . . . . . . 99.8 m -69.47 -42.41 74.88 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.59 -0.522 . . . . 35.119999999999997 109.59 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -81.35 -27.33 34.96 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 113.913 1.079 . . . . 35.68 113.913 -171.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 61' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -82.87 95.0 7.8 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-N 116.067 -0.515 . . . . 36.030000000000001 110.599 -172.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 62' ' ' SER . . . . . . . . . . . . . 28.0 m -87.2 -13.27 44.4 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.691 1.367 . . . . 36.079999999999998 114.691 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 63' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -112.97 7.55 18.21 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.236 0.828 . . . . 35.469999999999999 113.236 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 64' ' ' GLY . . . . . . . . . . . . . . . 72.31 17.73 77.73 Favored Glycine 0 N--CA 1.461 0.351 0 N-CA-C 116.359 1.303 . . . . 35.530000000000001 116.359 167.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 65' ' ' ASP . . . . . . . . . . . . . 31.2 p-10 -89.78 2.46 54.86 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 113.358 0.873 . . . . 38.57 113.358 179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.82 7.09 83.38 Favored Glycine 0 CA--C 1.52 0.37 0 CA-C-N 116.187 -0.461 . . . . 34.829999999999998 113.911 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -129.92 162.5 28.45 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 122.788 0.435 . . . . 33.960000000000001 111.244 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 68' ' ' CYS . . . . . . . . . . . . . 49.3 t -107.06 109.24 21.05 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 109.143 -0.688 . . . . 34.359999999999999 109.143 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 69' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -84.54 -174.09 5.09 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 111.661 0.245 . . . . 34.5 111.661 175.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 70' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -66.12 -43.33 87.48 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.906 1.076 . . . . 36.350000000000001 113.906 -172.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -33.43 72.79 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 118.765 -1.174 . . . . 44.710000000000001 111.805 -179.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 72' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -66.25 -35.19 79.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.776 0.322 . . . . 34.43 110.895 172.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 73' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -65.51 -39.46 91.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 34.75 111.979 173.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 74' ' ' MET . . . . . . . . . . . . . 62.5 mmm -62.59 -38.05 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.812 0.301 . . . . 44.600000000000001 111.812 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 75' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.28 94.61 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 120.712 -0.395 . . . . 33.969999999999999 110.499 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 76' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -52.86 -50.06 64.56 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.08 0.552 . . . . 33.950000000000003 111.977 172.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 77' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.11 -41.99 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 112.166 0.432 . . . . 31.780000000000001 112.166 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.19 91.3 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.771 0.656 . . . . 33.68 112.771 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 79' ' ' MET . . . . . . . . . . . . . 43.6 mtt -59.03 -49.31 78.39 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.493 0.717 . . . . 40.689999999999998 111.427 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 80' ' ' ILE . . . . . . . . . . . . . 61.1 mt -62.62 -50.95 77.74 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 123.09 0.556 . . . . 34.770000000000003 111.782 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 81' ' ' THR . . . . . . . . . . . . . 33.3 m -59.7 -46.4 89.2 Favored 'General case' 0 C--O 1.223 -0.299 0 O-C-N 123.368 0.418 . . . . 32.340000000000003 111.366 179.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 82' ' ' THR . . . . . . . . . . . . . 78.3 m -56.48 -42.82 78.91 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 111.423 0.157 . . . . 33.409999999999997 111.423 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.1 93.7 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.514 0.561 . . . . 34.780000000000001 112.514 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 84' ' ' CYS . . . . . 0.977 ' HB2' ' O ' ' X' ' 125' ' ' HOH . 49.8 t -59.71 -46.72 88.25 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.841 -0.429 . . . . 37.219999999999999 109.841 174.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' X' X ' 85' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -56.6 -36.42 69.38 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.586 -0.734 . . . . 37.560000000000002 110.863 179.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 86' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -86.84 11.51 13.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.815 0.672 . . . . 42.369999999999997 112.815 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 87' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 61.52 28.2 17.54 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.331 1.053 . . . . 43.219999999999999 112.834 -178.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 88' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 59.25 53.57 5.28 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.297 1.039 . . . . 43.969999999999999 113.701 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 89' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 116.265 1.95 . . . . 45.539999999999999 116.265 175.691 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 101' ' ' PNT . . . . . 0.545 " H2'" ' O ' ' X' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 102' ' ' PNT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 104' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 125' ' ' HOH . . . . . 0.977 ' O ' ' HB2' ' X' ' 84' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' X' X ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' X' X ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_