data_3bkf_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 3bkf _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 ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 112.377 -0.289 . . . . 73.560000000000002 112.377 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . 0.656 ' O ' ' N ' ' A' ' 105' ' ' MET . 40.6 p -104.5 -18.82 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.505 0.193 . . . . 70.909999999999997 111.353 179.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -111.95 141.52 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 69.579999999999998 110.939 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.68 -147.76 11.24 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.158 -0.777 . . . . 56.939999999999998 111.158 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -125.17 166.19 16.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.278 -0.638 . . . . 51.990000000000002 109.278 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.67 154.89 33.66 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.762 -0.459 . . . . 35.93 109.762 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.94 116.96 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 106.763 -1.569 . . . . 30.379999999999999 106.763 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -106.47 121.06 43.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.177 -1.416 . . . . 30.199999999999999 107.177 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -125.05 147.49 48.95 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.89 -0.724 . . . . 36.399999999999999 109.56 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -167.24 162.9 15.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.683 0.278 . . . . 36.210000000000001 110.448 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.52 129.61 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.668 -1.234 . . . . 40.899999999999999 107.668 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -101.64 131.02 48.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 63.899999999999999 111.295 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--N 1.331 -0.225 0 C-N-CA 123.718 0.807 . . . . 71.530000000000001 112.451 -179.675 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 108.741 -0.837 . . . . 78.480000000000004 108.741 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 68.8 -4.41 1.2 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.784 -0.644 . . . . 72.040000000000006 111.418 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 tp -100.02 -28.94 12.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.928 -1.508 . . . . 59.630000000000003 106.928 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.7 m -81.14 123.98 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.252 -0.886 . . . . 54.75 111.346 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.8 t -89.79 -46.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.212 -1.403 . . . . 41.880000000000003 107.212 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.51 145.67 14.63 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.322 -0.992 . . . . 31.719999999999999 108.322 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.3 m -131.37 131.79 43.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.919 -0.771 . . . . 37.969999999999999 108.919 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -113.67 130.86 56.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.604 -0.726 . . . . 32.329999999999998 110.337 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -113.05 127.04 56.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.597 -2.001 . . . . 41.630000000000003 105.597 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -129.23 130.22 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.637 -1.246 . . . . 38.859999999999999 107.637 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -82.81 129.13 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.955 -1.098 . . . . 61.390000000000001 112.867 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.49 -41.36 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.186 -1.042 . . . . 62.75 108.186 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -168.84 -171.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.178 -0.675 . . . . 70.359999999999999 109.178 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -50.32 -38.65 42.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.704 1.372 . . . . 74.959999999999994 114.704 -179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.25 -29.24 12.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 118.328 2.714 . . . . 69.239999999999995 118.328 -177.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.48 136.69 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 118.26 2.689 . . . . 58.979999999999997 118.26 -176.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.6 t -119.87 129.74 54.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.915 -1.143 . . . . 46.460000000000001 107.915 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.3 tp -91.01 124.73 35.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.834 -2.284 . . . . 35.450000000000003 104.834 178.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -118.37 132.02 56.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.226 -0.59 . . . . 46.030000000000001 111.35 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.6 mm -122.11 119.79 59.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 108.271 -1.011 . . . . 37.969999999999999 108.271 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.87 127.95 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.939 -0.704 . . . . 30.489999999999998 111.261 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.6 t -97.39 119.61 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 105.568 -2.012 . . . . 33.329999999999998 105.568 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.9 155.95 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 35.399999999999999 111.77 -177.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -151.13 138.46 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.438 -0.579 . . . . 58.82 109.438 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.39 -154.8 25.98 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 108.729 -1.748 . . . . 44.729999999999997 108.729 -179.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 106' ' ' GLY . 8.2 t70 -67.5 126.74 30.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.338 -0.616 . . . . 54.640000000000001 109.338 179.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' MET . . . . . 0.656 ' N ' ' O ' ' A' ' 50' ' ' THR . 81.9 mmm -55.22 -25.78 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.837 0.681 . . . . 59.659999999999997 112.837 -178.743 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 104' ' ' ASP . . . -71.73 -41.77 55.61 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 109.732 -1.347 . . . . 41.090000000000003 109.732 178.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -69.09 -32.88 72.62 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.409 -0.96 . . . . 50.289999999999999 108.409 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.69 -46.6 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 35.780000000000001 109.833 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.41 -40.26 93.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 36.789999999999999 111.211 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -66.33 -34.07 77.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.423 0.63 . . . . 38.920000000000002 110.959 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.26 -49.54 69.21 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.499 -1.297 . . . . 42.979999999999997 107.499 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -59.19 -39.65 83.24 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.016 -0.365 . . . . 34.079999999999998 110.016 179.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -55.96 -48.82 75.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 43.100000000000001 110.768 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -62.43 -40.33 96.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 47.68 111.777 -179.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.61 -48.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.392 0.516 . . . . 32.770000000000003 112.392 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.6 mp -66.91 -22.55 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.862 1.06 . . . . 41.770000000000003 113.862 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.93 -11.87 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 40.049999999999997 111.558 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -79.82 135.94 36.59 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.085 1.143 . . . . 50.719999999999999 114.085 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -63.32 146.95 52.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.473 -1.306 . . . . 58.299999999999997 107.473 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.82 -17.74 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.716 -1.23 . . . . 42.479999999999997 112.565 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.09 122.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 108.587 -0.894 . . . . 39.649999999999999 108.587 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -131.72 158.97 39.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.942 0.349 . . . . 59.409999999999997 111.942 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 57.09 37.62 28.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 114.023 1.12 . . . . 46.579999999999998 114.023 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.24 133.16 28.38 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.294 -0.955 . . . . 37.710000000000001 111.982 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -139.77 134.51 31.92 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.376 0.607 . . . . 40.020000000000003 110.746 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.0 tp -118.16 118.86 33.01 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.949 -0.7 . . . . 36.399999999999999 110.676 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -105.53 114.1 28.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.362 -1.347 . . . . 53.539999999999999 107.362 178.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.97 144.27 25.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.387 0.514 . . . . 50.880000000000003 112.387 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 36.6 mt -133.14 79.81 61.12 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.551 -0.749 . . . . 51.759999999999998 110.162 -179.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -63.87 144.14 87.6 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 N-CA-C 110.734 -0.525 . . . . 54.93 110.734 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.313 -0.851 . . . . 60.719999999999999 111.494 -179.5 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 112.377 -0.289 . . . . 73.56 112.377 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 105' ' ' MET . 40.6 p -104.5 -18.82 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.505 0.193 . . . . 70.91 111.353 179.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -111.95 141.52 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 69.58 110.939 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.68 -147.76 11.24 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.158 -0.777 . . . . 56.94 111.158 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -125.17 166.19 16.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.278 -0.638 . . . . 51.99 109.278 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.67 154.89 33.66 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.762 -0.459 . . . . 35.93 109.762 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.94 116.96 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 106.763 -1.569 . . . . 30.38 106.763 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -106.47 121.06 43.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.177 -1.416 . . . . 30.2 107.177 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -125.05 147.49 48.95 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.89 -0.724 . . . . 36.4 109.56 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -167.24 162.9 15.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.683 0.278 . . . . 36.21 110.448 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.52 129.61 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.668 -1.234 . . . . 40.9 107.668 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -101.64 131.02 48.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 63.9 111.295 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . 0.71 ' HG3' ' O ' ' A' ' 93' ' ' ASP . 16.7 pt-20 . . . . . 0 C--N 1.331 -0.225 0 C-N-CA 123.718 0.807 . . . . 71.53 112.451 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 108.741 -0.837 . . . . 78.48 108.741 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 68.8 -4.41 1.2 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.784 -0.644 . . . . 72.04 111.418 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 tp -100.02 -28.94 12.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.928 -1.508 . . . . 59.63 106.928 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.7 m -81.14 123.98 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.252 -0.886 . . . . 54.75 111.346 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.8 t -89.79 -46.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.212 -1.403 . . . . 41.88 107.212 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.51 145.67 14.63 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.322 -0.992 . . . . 31.72 108.322 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.3 m -131.37 131.79 43.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.919 -0.771 . . . . 37.97 108.919 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -113.67 130.86 56.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.604 -0.726 . . . . 32.33 110.337 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -113.05 127.04 56.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.597 -2.001 . . . . 41.63 105.597 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -129.23 130.22 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.637 -1.246 . . . . 38.86 107.637 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -82.81 129.13 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.955 -1.098 . . . . 61.39 112.867 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.49 -41.36 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.186 -1.042 . . . . 62.75 108.186 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -168.84 -171.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.178 -0.675 . . . . 70.36 109.178 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -50.32 -38.65 42.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.704 1.372 . . . . 74.96 114.704 -179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . 0.71 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -101.25 -29.24 12.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 118.328 2.714 . . . . 69.24 118.328 -177.908 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.48 136.69 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 118.26 2.689 . . . . 58.98 118.26 -176.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.6 t -119.87 129.74 54.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.915 -1.143 . . . . 46.46 107.915 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.3 tp -91.01 124.73 35.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.834 -2.284 . . . . 35.45 104.834 178.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -118.37 132.02 56.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.226 -0.59 . . . . 46.03 111.35 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.6 mm -122.11 119.79 59.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 108.271 -1.011 . . . . 37.97 108.271 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.87 127.95 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.939 -0.704 . . . . 30.49 111.261 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.6 t -97.39 119.61 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 105.568 -2.012 . . . . 33.33 105.568 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.9 155.95 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 35.4 111.77 -177.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -151.13 138.46 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.438 -0.579 . . . . 58.82 109.438 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.39 -154.8 25.98 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 108.729 -1.748 . . . . 44.73 108.729 -179.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -67.5 126.74 30.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.338 -0.616 . . . . 54.64 109.338 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 50' ' ' THR . 81.9 mmm -55.22 -25.78 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.837 0.681 . . . . 59.66 112.837 -178.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.73 -41.77 55.61 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 109.732 -1.347 . . . . 41.09 109.732 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -69.09 -32.88 72.62 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.409 -0.96 . . . . 50.29 108.409 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.69 -46.6 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 35.78 109.833 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.41 -40.26 93.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 36.79 111.211 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -66.33 -34.07 77.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.423 0.63 . . . . 38.92 110.959 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.26 -49.54 69.21 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.499 -1.297 . . . . 42.98 107.499 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -59.19 -39.65 83.24 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.016 -0.365 . . . . 34.08 110.016 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -55.96 -48.82 75.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 43.1 110.768 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -62.43 -40.33 96.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 47.68 111.777 -179.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.61 -48.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.392 0.516 . . . . 32.77 112.392 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 112' ' ' ALA . 1.6 mp -66.91 -22.55 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.862 1.06 . . . . 41.77 113.862 -178.43 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.93 -11.87 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 40.05 111.558 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -79.82 135.94 36.59 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.085 1.143 . . . . 50.72 114.085 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -63.32 146.95 52.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.473 -1.306 . . . . 58.3 107.473 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.82 -17.74 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.716 -1.23 . . . . 42.48 112.565 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.09 122.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 108.587 -0.894 . . . . 39.65 108.587 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -131.72 158.97 39.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.942 0.349 . . . . 59.41 111.942 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 57.09 37.62 28.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 114.023 1.12 . . . . 46.58 114.023 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.24 133.16 28.38 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.294 -0.955 . . . . 37.71 111.982 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -139.77 134.51 31.92 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.376 0.607 . . . . 40.02 110.746 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.0 tp -118.16 118.86 33.01 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.949 -0.7 . . . . 36.4 110.676 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' HOH . 39.0 tt0 -105.53 114.1 28.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.362 -1.347 . . . . 53.54 107.362 178.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.97 144.27 25.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.387 0.514 . . . . 50.88 112.387 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 36.6 mt -133.14 79.81 61.12 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.551 -0.749 . . . . 51.76 110.162 -179.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -63.87 144.14 87.6 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 N-CA-C 110.734 -0.525 . . . . 54.93 110.734 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.313 -0.851 . . . . 60.72 111.494 -179.5 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . 0.466 ' O ' ' HG3' ' A' ' 127' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 112.377 -0.289 . . . . 73.56 112.377 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . 0.51 ' O ' ' HG2' ' A' ' 105' ' ' MET . 40.6 p -104.5 -18.82 14.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.505 0.193 . . . . 70.91 111.353 179.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -111.95 141.52 45.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.948 0.404 . . . . 69.58 110.939 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.68 -147.76 11.24 Favored Glycine 0 N--CA 1.45 -0.368 0 N-CA-C 111.158 -0.777 . . . . 56.94 111.158 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -125.17 166.19 16.89 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.278 -0.638 . . . . 51.99 109.278 179.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -154.67 154.89 33.66 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.762 -0.459 . . . . 35.93 109.762 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.9 t -121.94 116.96 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 N-CA-C 106.763 -1.569 . . . . 30.38 106.763 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 tp -106.47 121.06 43.51 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.177 -1.416 . . . . 30.2 107.177 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -125.05 147.49 48.95 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.89 -0.724 . . . . 36.4 109.56 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -167.24 162.9 15.3 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-O 120.683 0.278 . . . . 36.21 110.448 179.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.52 129.61 59.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 107.668 -1.234 . . . . 40.9 107.668 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -101.64 131.02 48.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 63.9 111.295 -179.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.71 ' HG3' ' O ' ' A' ' 93' ' ' ASP . 16.7 pt-20 . . . . . 0 C--N 1.331 -0.225 0 C-N-CA 123.718 0.807 . . . . 71.53 112.451 -179.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 . . . . . 0 C--O 1.232 0.169 0 N-CA-C 108.741 -0.837 . . . . 78.48 108.741 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 68.8 -4.41 1.2 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.784 -0.644 . . . . 72.04 111.418 -179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 tp -100.02 -28.94 12.82 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.928 -1.508 . . . . 59.63 106.928 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 48.7 m -81.14 123.98 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.252 -0.886 . . . . 54.75 111.346 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.8 t -89.79 -46.3 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 N-CA-C 107.212 -1.403 . . . . 41.88 107.212 178.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -160.51 145.67 14.63 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.322 -0.992 . . . . 31.72 108.322 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.3 m -131.37 131.79 43.93 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.919 -0.771 . . . . 37.97 108.919 178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 tp -113.67 130.86 56.33 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.604 -0.726 . . . . 32.33 110.337 -179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -113.05 127.04 56.11 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 105.597 -2.001 . . . . 41.63 105.597 178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -129.23 130.22 67.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.637 -1.246 . . . . 38.86 107.637 178.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -82.81 129.13 34.95 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 118.955 -1.098 . . . . 61.39 112.867 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 45.0 mt -90.49 -41.36 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.186 -1.042 . . . . 62.75 108.186 179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -168.84 -171.59 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.178 -0.675 . . . . 70.36 109.178 179.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -50.32 -38.65 42.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.704 1.372 . . . . 74.96 114.704 -179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.71 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.0 OUTLIER -101.25 -29.24 12.19 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 118.328 2.714 . . . . 69.24 118.328 -177.908 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -109.48 136.69 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 118.26 2.689 . . . . 58.98 118.26 -176.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 44.6 t -119.87 129.74 54.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.915 -1.143 . . . . 46.46 107.915 178.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 39.3 tp -91.01 124.73 35.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.834 -2.284 . . . . 35.45 104.834 178.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -118.37 132.02 56.28 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.226 -0.59 . . . . 46.03 111.35 -179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.6 mm -122.11 119.79 59.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.419 0 N-CA-C 108.271 -1.011 . . . . 37.97 108.271 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -115.87 127.95 55.42 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 119.939 -0.704 . . . . 30.49 111.261 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 95.6 t -97.39 119.61 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 105.568 -2.012 . . . . 33.33 105.568 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.2 mt -113.9 155.95 24.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.606 -0.724 . . . . 35.4 111.77 -177.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -151.13 138.46 19.4 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.438 -0.579 . . . . 58.82 109.438 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 144.39 -154.8 25.98 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 108.729 -1.748 . . . . 44.73 108.729 -179.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -67.5 126.74 30.26 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.338 -0.616 . . . . 54.64 109.338 179.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 50' ' ' THR . 81.9 mmm -55.22 -25.78 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.837 0.681 . . . . 59.66 112.837 -178.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.73 -41.77 55.61 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 109.732 -1.347 . . . . 41.09 109.732 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -69.09 -32.88 72.62 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.409 -0.96 . . . . 50.29 108.409 179.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.69 -46.6 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 35.78 109.833 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -61.41 -40.26 93.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 36.79 111.211 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -66.33 -34.07 77.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.423 0.63 . . . . 38.92 110.959 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -65.26 -49.54 69.21 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.499 -1.297 . . . . 42.98 107.499 177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -59.19 -39.65 83.24 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.016 -0.365 . . . . 34.08 110.016 179.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -55.96 -48.82 75.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 43.1 110.768 178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -62.43 -40.33 96.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 47.68 111.777 -179.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 71.5 t -65.61 -48.22 83.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 112.392 0.516 . . . . 32.77 112.392 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.454 HD13 ' O ' ' A' ' 112' ' ' ALA . 1.6 mp -66.91 -22.55 29.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 113.862 1.06 . . . . 41.77 113.862 -178.43 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.93 -11.87 60.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 40.05 111.558 179.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -79.82 135.94 36.59 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 114.085 1.143 . . . . 50.72 114.085 -178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -63.32 146.95 52.43 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 107.473 -1.306 . . . . 58.3 107.473 178.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 88.82 -17.74 48.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 119.716 -1.23 . . . . 42.48 112.565 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.4 t -90.09 122.44 41.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 108.587 -0.894 . . . . 39.65 108.587 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ARG . . . . . . . . . . . . . 33.7 mtm-85 -131.72 158.97 39.74 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.942 0.349 . . . . 59.41 111.942 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 57.09 37.62 28.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 114.023 1.12 . . . . 46.58 114.023 178.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -68.24 133.16 28.38 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.294 -0.955 . . . . 37.71 111.982 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -139.77 134.51 31.92 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 121.376 0.607 . . . . 40.02 110.746 178.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.0 tp -118.16 118.86 33.01 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.949 -0.7 . . . . 36.4 110.676 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.466 ' HG3' ' O ' ' A' ' 22' ' ' HOH . 39.0 tt0 -105.53 114.1 28.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 107.362 -1.347 . . . . 53.54 107.362 178.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 97.6 m -90.97 144.27 25.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.387 0.514 . . . . 50.88 112.387 -179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 36.6 mt -133.14 79.81 61.12 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.551 -0.749 . . . . 51.76 110.162 -179.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -63.87 144.14 87.6 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 N-CA-C 110.734 -0.525 . . . . 54.93 110.734 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.313 -0.851 . . . . 60.72 111.494 -179.5 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . 0.466 ' O ' ' HG3' ' A' ' 127' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_