data_6csu_residue ############################ # Computer software used # ############################ 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 6csu _Structure_validation_residue.Date_analyzed 2019-03-22 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 ' B' B 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.446 -0.262 . . . . 51.42 112.446 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1206 ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.07 91.54 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.499 -0.48 . . . . 37.43 111.437 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1207 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.43 -40.35 73.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.949 -0.701 . . . . 42.59 111.321 -175.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1208 ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.8 -38.39 86.4 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.795 -0.762 . . . . 48.69 111.193 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1209 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.99 -45.57 85.04 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.467 -0.493 . . . . 64.8 110.99 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1210 ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.65 -35.98 73.4 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.457 -0.497 . . . . 36.78 110.995 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1211 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -64.08 -46.71 83.08 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.743 -0.383 . . . . 37.2 110.786 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1212 ' ' GLY . . . . . . . . . . . . . . . -59.34 -32.85 73.43 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.134 -1.031 . . . . 40.78 112.739 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1213 ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -70.93 -48.06 55.65 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.365 -0.534 . . . . 51.39 111.216 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1214 ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -57.61 -42.06 82.49 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 122.153 -0.342 . . . . 52.15 111.156 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1215 ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.99 -49.22 85.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.095 0.474 . . . . 36.51 110.404 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1216 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -29.33 70.31 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.283 -0.567 . . . . 74.81 111.551 -179.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1217 ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.82 67.75 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.028 -0.669 . . . . 42.61 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1218 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.9 -35.51 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.355 -0.538 . . . . 44.67 110.52 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1219 ' ' LYS . . . . . . . . . . . . . 61.3 mttt -63.33 -35.42 80.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.487 -0.485 . . . . 56.69 111.137 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1220 ' ' LYS . . . . . . . . . . . . . 6.1 mttt -58.38 -50.15 74.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.006 0.431 . . . . 78.67 110.635 171.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1221 ' ' ILE . . . . . . . . . . . . . 10.1 mm -51.55 -42.32 29.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.168 0.509 . . . . 45.5 110.162 175.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1222 ' ' LYS . . . . . . . . . . . . . 15.4 tttt -63.53 -40.66 97.61 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 122.178 -0.326 . . . . 52.93 111.386 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1223 ' ' CYS . . . . . . . . . . . . . 96.4 m -59.9 -45.45 92.49 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.66 -0.416 . . . . 53.82 111.138 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1224 ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -58.37 -45.1 88.9 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.617 -0.433 . . . . 52.79 110.933 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1225 ' ' MET . . . . . . . . . . . . . 33.4 mmt -65.9 -34.47 78.19 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.391 -0.524 . . . . 74.14 111.123 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1226 ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.47 -56.36 14.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.902 0.382 . . . . 67.31 110.961 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1227 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -50.0 -40.93 45.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.042 0.449 . . . . 94.98 111.092 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1228 ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.23 -50.46 73.55 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.716 -0.393 . . . . 51.2 111.044 176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1229 ' ' ILE . . . . . . . . . . . . . 27.3 mt -64.34 -39.73 86.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 120.82 0.343 . . . . 53.63 110.767 -175.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1230 ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -58.25 -40.83 82.78 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.37 -0.532 . . . . 53.04 110.996 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1231 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.96 -32.59 73.93 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.025 -0.67 . . . . 90.58 111.056 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1232 ' ' SER . . . . . 0.851 ' OG ' ' NH1' ' A' ' 511' ' ' ARG . 28.0 m -55.03 -53.71 52.37 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.144 0.497 . . . . 55.38 110.689 172.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1233 ' ' LYS . . . . . . . . . . . . . 10.6 mttt -61.63 -41.53 97.62 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.764 -0.374 . . . . 60.15 111.123 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1234 ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -61.35 -43.27 99.16 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.423 -0.511 . . . . 63.66 110.835 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1235 ' ' ARG . . . . . . . . . . . . . 27.6 mtp-105 -63.46 -47.76 80.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.388 -0.525 . . . . 63.85 111.03 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1236 ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.54 71.6 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.826 -0.75 . . . . 61.52 111.168 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1237 ' ' ALA . . . . . . . . . . . . . . . -71.43 -38.72 71.35 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.312 -0.555 . . . . 51.19 111.083 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1238 ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -62.8 -32.87 74.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.613 -0.435 . . . . 68.53 111.116 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1239 ' ' MET . . . . . . . . . . . . . 56.7 mmm -55.94 -40.77 73.65 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.945 0.402 . . . . 59.9 111.194 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1240 ' ' VAL . . . . . . . . . . . . . 9.3 t -58.96 -48.35 86.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.191 0.52 . . . . 51.62 110.398 -177.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1241 ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -61.9 -38.75 89.51 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.285 -0.566 . . . . 89.07 110.955 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1242 ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.91 85.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.511 -0.475 . . . . 50.83 111.446 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1243 ' ' GLU . . . . . 0.848 ' OE2' ' N ' ' C' ' 498' ' ' ALA . 1.2 tm-20 -73.07 -36.58 66.87 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.213 -0.595 . . . . 94.46 111.035 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1244 ' ' VAL . . . . . . . . . . . . . 78.3 t -61.42 -34.52 61.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.463 -0.495 . . . . 58.99 110.318 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1245 ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.92 -27.83 61.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.431 -0.507 . . . . 69.8 112.109 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1246 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.46 -20.39 43.85 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 117.372 -1.731 . . . . 104.96 110.949 176.091 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B 1247 ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -62.16 -27.72 69.16 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.909 -0.716 . . . . 73.99 110.288 168.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1248 ' ' ARG . . . . . . . . . . . . . 25.1 ttm180 -61.76 -36.18 80.28 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.751 -0.38 . . . . 70.67 111.078 177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1249 ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -64.45 -36.07 82.98 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.768 -0.773 . . . . 108.35 111.292 177.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1250 ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -81.25 -23.17 38.19 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.919 0.711 . . . . 104.05 112.919 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1251 ' ' THR . . . . . . . . . . . . . 5.8 t -81.48 -25.52 35.95 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.314 -0.954 . . . . 90.76 111.459 175.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1252 ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.77 92.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.795 -0.762 . . . . 78.37 110.295 166.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1253 ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -57.43 -49.39 76.4 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.247 0.546 . . . . 95.83 110.726 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1254 ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -66.85 -21.05 66.03 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.013 0.746 . . . . 76.05 113.013 -173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1255 ' ' MET . . . . . . . . . . . . . 22.0 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.56 0.618 . . . . 78.54 112.066 -179.749 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 498' ' ' ALA . . . . . 0.848 ' N ' ' OE2' ' B' 1243 ' ' GLU . . . . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.651 0.262 . . . . 101.83 110.358 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 499' ' ' CYS . . . . . . . . . . . . . 55.5 m -91.42 -12.81 33.69 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.601 0.963 . . . . 117.73 113.601 -159.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 500' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.7 -45.06 91.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 118.645 0.657 . . . . 97.68 110.748 167.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 501' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -80.94 -38.77 27.24 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 122.086 -0.384 . . . . 91.99 111.139 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 502' ' ' THR . . . . . . . . . . . . . 68.6 p -61.89 -45.24 94.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.135 -0.626 . . . . 66.5 110.467 175.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 503' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -65.36 -31.01 71.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.663 -0.415 . . . . 103.04 111.17 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 504' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -45.52 93.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.789 -0.364 . . . . 60.67 110.236 172.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 505' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.49 -46.11 84.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.723 0.297 . . . . 59.72 111.019 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 506' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.65 -38.58 69.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.728 0.299 . . . . 78.68 111.192 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 507' ' ' GLU . . . . . 0.497 ' OE1' ' NH1' ' D' 1235 ' ' ARG . 93.3 mt-10 -65.03 -46.64 80.43 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.723 -0.391 . . . . 68.99 110.944 174.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 508' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -51.86 -45.29 63.99 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.034 0.445 . . . . 65.15 110.916 176.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 509' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -57.89 -42.24 84.23 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.443 -0.344 . . . . 68.98 111.282 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 510' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.89 -43.56 75.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.3 -0.56 . . . . 65.43 110.953 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 511' ' ' ARG . . . . . . . . . . . . . 15.2 mtm105 -66.46 -29.39 69.51 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 119.361 -0.352 . . . . 55.97 111.824 177.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 512' ' ' SER . . . . . . . . . . . . . 51.0 m -64.88 -40.82 95.73 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 121.007 -0.277 . . . . 67.25 111.257 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 513' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.43 -36.8 79.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.965 -0.294 . . . . 77.64 111.129 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 514' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -73.05 -50.35 23.49 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.355 -0.538 . . . . 81.83 111.25 -174.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 515' ' ' ILE . . . . . . . . . . . . . 7.1 tp -57.57 -31.91 40.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.71 -0.396 . . . . 57.17 110.186 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 516' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.8 -46.46 85.08 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 122.012 -0.43 . . . . 70.97 111.23 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 517' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.99 -48.6 73.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.761 -0.376 . . . . 76.21 111.013 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 518' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -61.15 -31.12 70.85 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.672 0.249 . . . . 79.5 111.672 -175.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 519' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.83 -44.64 61.2 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.176 -0.609 . . . . 46.64 110.837 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 520' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -58.37 -34.81 71.09 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.408 -0.517 . . . . 47.07 111.523 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 521' ' ' ALA . . . . . . . . . . . . . . . -63.93 -54.14 39.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.997 0.427 . . . . 45.9 111.003 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 522' ' ' HIS . . . . . 0.432 ' NE2' ' OD2' ' D' 1224 ' ' ASP . 7.8 m-70 -58.14 -29.42 65.53 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.988 -0.285 . . . . 50.8 111.514 -179.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 523' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.47 -48.58 34.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-O 120.778 0.323 . . . . 40.96 110.702 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 524' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.72 -38.09 86.62 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.141 -0.35 . . . . 59.02 111.442 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 525' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.5 -40.68 97.51 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.06 -0.656 . . . . 56.9 110.867 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 526' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.84 -40.75 96.4 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.075 -0.65 . . . . 42.21 110.766 176.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 527' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -37.86 89.0 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.092 -0.643 . . . . 62.27 110.948 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 528' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -73.93 -44.31 55.46 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.249 -0.58 . . . . 96.05 111.495 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 529' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -63.09 -43.34 98.79 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.347 -0.541 . . . . 59.44 111.363 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 530' ' ' SER . . . . . . . . . . . . . 89.9 p -71.94 -40.7 68.52 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.507 -0.477 . . . . 36.88 111.653 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 531' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.32 -38.42 71.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.674 -0.41 . . . . 69.26 111.097 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 532' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -71.27 -42.72 68.4 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.977 -0.689 . . . . 73.99 111.138 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 533' ' ' THR . . . . . . . . . . . . . 21.0 m -56.75 -45.69 81.87 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.66 -0.416 . . . . 35.3 110.949 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 534' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.85 -54.8 29.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.08 0.467 . . . . 32.02 110.355 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 535' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -52.55 -45.86 66.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.392 -0.367 . . . . 58.76 111.599 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 536' ' ' GLN . . . . . 0.7 ' OE1' ' O ' ' C' ' 601' ' ' HOH . 79.1 mt-30 -78.52 -42.37 29.69 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.807 -0.357 . . . . 36.54 111.569 -170.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 537' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -68.23 -29.74 68.63 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.227 -0.589 . . . . 36.44 112.016 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 538' ' ' THR . . . . . . . . . . . . . 1.3 m -66.75 -27.52 67.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.008 0.367 . . . . 49.99 111.969 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 539' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.28 72.42 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.327 -0.549 . . . . 49.47 111.31 173.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 540' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.332 -0.184 0 O-C-N 122.27 -0.269 . . . . 49.07 110.753 176.365 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1204 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.799 -0.445 . . . . 138.82 109.799 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1205 ' ' GLY . . . . . . . . . . . . . . . -66.43 -34.69 88.57 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.326 -0.94 . . . . 75.32 113.117 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1206 ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.37 90.02 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 117.313 0.557 . . . . 32.89 110.885 173.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1207 ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.95 -43.01 99.97 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.848 0.356 . . . . 33.2 111.112 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1208 ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.2 -42.48 88.75 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.776 -0.37 . . . . 98.87 110.89 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1209 ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.07 -53.69 55.56 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.0 0.429 . . . . 46.34 111.004 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1210 ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.52 -41.65 90.47 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.374 -0.53 . . . . 32.93 110.98 -178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1211 ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -61.21 -40.18 93.0 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.807 -0.357 . . . . 74.51 110.827 174.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1212 ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.16 91.19 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.057 -1.068 . . . . 41.89 112.293 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1213 ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -71.13 -39.1 72.22 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.556 -0.458 . . . . 38.47 111.221 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1214 ' ' TYR . . . . . . . . . . . . . 46.6 t80 -60.36 -50.05 75.14 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.885 -0.726 . . . . 67.0 110.737 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1215 ' ' ILE . . . . . . . . . . . . . 36.7 mm -58.35 -42.55 84.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.125 0.488 . . . . 55.57 110.455 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1216 ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -64.07 -41.37 97.37 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.32 -0.552 . . . . 80.3 111.192 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1217 ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.36 78.12 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.57 -0.452 . . . . 43.78 111.014 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1218 ' ' VAL . . . . . . . . . . . . . 7.7 m -71.99 -32.71 44.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 120.345 -0.542 . . . . 59.99 111.042 -175.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1219 ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -69.6 -25.27 63.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.791 -0.764 . . . . 79.84 111.362 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1220 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -76.35 -36.64 58.11 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.53 -0.468 . . . . 57.34 111.229 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1221 ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.48 -39.96 87.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.125 0.488 . . . . 40.32 110.158 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1222 ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.34 -41.96 88.83 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.963 -0.461 . . . . 64.89 111.195 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1223 ' ' CYS . . . . . . . . . . . . . 58.5 m -61.33 -39.13 89.4 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.028 -0.669 . . . . 54.28 111.088 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1224 ' ' ASP . . . . . 0.432 ' OD2' ' NE2' ' C' ' 522' ' ' HIS . 83.1 m-20 -67.16 -42.89 83.56 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.388 -0.525 . . . . 58.89 111.218 178.849 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D 1225 ' ' MET . . . . . . . . . . . . . 94.6 mmm -68.58 -37.99 80.31 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.416 -0.513 . . . . 51.34 111.507 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1226 ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.28 -44.43 83.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.958 0.409 . . . . 49.76 111.252 176.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1227 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -38.97 63.74 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.435 -0.506 . . . . 92.18 111.301 -179.781 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D 1228 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -59.84 -40.45 88.58 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.663 -0.415 . . . . 51.83 111.091 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1229 ' ' ILE . . . . . . . . . . . . . 38.2 mt -70.53 -50.16 47.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 120.946 0.403 . . . . 52.23 110.686 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1230 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.29 -41.99 73.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.443 . . . . 62.77 110.857 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1231 ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -63.54 -40.7 97.68 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.546 -0.462 . . . . 78.53 111.123 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1232 ' ' SER . . . . . . . . . . . . . 6.0 t -66.76 -36.33 82.18 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.0 -0.68 . . . . 66.2 111.249 -176.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1233 ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -72.93 -34.43 66.57 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.107 -0.637 . . . . 69.02 111.342 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1234 ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.8 -40.76 92.24 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.233 -0.587 . . . . 59.1 110.6 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1235 ' ' ARG . . . . . 0.497 ' NH1' ' OE1' ' C' ' 507' ' ' GLU . 1.0 OUTLIER -65.37 -35.07 79.85 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.423 -0.511 . . . . 60.09 111.005 176.924 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D 1236 ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.12 80.62 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.265 -0.574 . . . . 57.45 111.04 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1237 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.48 93.57 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.21 -0.596 . . . . 51.92 110.967 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1238 ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -33.52 71.13 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.802 -0.759 . . . . 82.63 111.35 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1239 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -20.97 62.6 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.605 -0.438 . . . . 59.93 112.018 177.392 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D 1240 ' ' VAL . . . . . . . . . . . . . 58.4 t -74.46 -46.43 43.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.578 -0.449 . . . . 51.55 110.301 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1241 ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -59.55 -53.02 62.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.974 0.416 . . . . 83.78 111.265 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1242 ' ' ALA . . . . . . . . . . . . . . . -53.93 -26.34 24.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.462 0.541 . . . . 52.31 112.462 -173.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1243 ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -94.05 -34.51 12.98 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.301 0.852 . . . . 104.98 113.301 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1244 ' ' VAL . . . . . . . . . . . . . 9.6 t -55.08 -34.88 33.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 119.895 -0.722 . . . . 62.68 109.572 167.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1245 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.06 -26.8 65.13 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.139 0.422 . . . . 65.58 112.139 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1246 ' ' ARG . . . . . . . . . . . . . 21.7 mtm105 -75.59 -14.89 60.4 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.977 0.732 . . . . 98.57 112.977 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1247 ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.94 -20.61 61.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.595 0.634 . . . . 72.17 112.559 169.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1248 ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -52.08 -42.4 63.16 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.141 -0.624 . . . . 72.02 110.014 171.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1249 ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -60.16 -37.8 81.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.835 -0.346 . . . . 88.2 111.327 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1250 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.58 -48.63 38.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.553 -0.459 . . . . 98.0 111.129 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1251 ' ' THR . . . . . . . . . . . . . 81.8 p -63.11 -31.8 73.02 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.32 -0.552 . . . . 75.88 111.567 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1252 ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.78 89.19 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.38 -0.528 . . . . 83.55 110.653 173.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1253 ' ' ARG . . . . . . . . . . . . . 24.3 tpt85 -58.93 -31.14 68.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.721 -0.392 . . . . 106.46 111.506 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1254 ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -77.04 -31.52 56.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 111.921 0.341 . . . . 79.65 111.921 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D 1255 ' ' MET . . . . . . . . . . . . . 31.6 mtm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 79.6 110.069 173.295 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 109.157 -0.683 . . . . 106.63 109.157 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 68.9 m -52.2 -22.07 3.98 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 124.011 0.819 . . . . 117.13 111.959 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.04 -57.96 6.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.989 0.423 . . . . 102.75 110.219 164.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -75.7 -24.99 56.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.884 0.698 . . . . 97.47 112.884 -171.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 43.0 p -72.19 -41.15 67.31 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.453 0.57 . . . . 67.49 110.696 171.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -36.62 68.58 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 110.238 -0.282 . . . . 106.38 110.238 170.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -67.12 -47.13 72.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.579 -0.448 . . . . 61.35 110.702 -179.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.76 -37.03 85.25 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.736 -0.386 . . . . 60.99 111.029 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -55.29 -54.81 38.82 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.184 0.516 . . . . 69.84 110.758 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.66 -40.83 97.82 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.391 -0.368 . . . . 73.93 111.741 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' GLU . . . . . 0.468 ' OE2' ' NH2' ' A' ' 511' ' ' ARG . 3.2 tt0 -63.26 -32.53 73.96 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.921 -0.712 . . . . 89.88 111.32 177.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.43 -47.37 86.05 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.427 -0.509 . . . . 76.38 110.994 173.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.55 -50.99 67.35 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.75 -0.38 . . . . 70.01 111.163 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' ARG . . . . . 0.851 ' NH1' ' OG ' ' B' 1232 ' ' SER . 3.3 ptt-85 -74.99 -24.74 58.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.515 -0.874 . . . . 65.23 111.874 -172.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' SER . . . . . . . . . . . . . 4.7 p -76.19 -35.44 59.11 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.405 -0.918 . . . . 59.79 110.654 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -65.03 -37.44 87.63 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.72 -0.792 . . . . 85.68 110.695 175.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -62.25 -45.1 94.84 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.579 -0.448 . . . . 92.15 111.068 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' ILE . . . . . . . . . . . . . 8.1 tp -65.26 -33.36 63.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.478 -0.489 . . . . 72.26 110.446 -175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.12 -42.15 57.01 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.807 -0.558 . . . . 73.43 110.821 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.37 -65.9 0.49 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.73 0.812 . . . . 103.43 111.206 173.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -60.65 -27.7 68.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.766 -0.652 . . . . 93.09 112.039 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.43 -46.29 55.71 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.538 -0.465 . . . . 76.5 111.146 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.82 -34.08 71.11 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.043 -0.663 . . . . 80.45 111.013 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.51 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.188 -0.605 . . . . 90.75 110.723 173.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -70.73 -24.77 62.69 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.751 0.649 . . . . 90.18 112.751 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 12.3 pt -73.12 -45.05 55.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 119.197 -1.001 . . . . 105.08 109.926 171.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.33 -25.72 64.42 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 122.045 -0.409 . . . . 100.58 110.823 174.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.25 -58.53 3.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.786 0.326 . . . . 108.22 111.426 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' LEU . . . . . 0.639 ' O ' ' OG ' ' A' ' 530' ' ' SER . 1.4 tp -77.27 -18.95 57.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.935 0.717 . . . . 113.8 112.935 -174.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -74.88 -40.62 60.83 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.663 -1.215 . . . . 121.63 111.005 173.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -67.09 -22.09 65.84 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.953 -0.299 . . . . 147.14 111.731 169.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -80.46 -10.97 59.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.571 0.582 . . . . 138.59 112.571 169.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' SER . . . . . 0.639 ' OG ' ' O ' ' A' ' 526' ' ' LEU . 12.9 m . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 118.036 0.38 . . . . 119.28 111.535 -173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 601' ' ' HOH . . . . . 0.7 ' O ' ' OE1' ' C' ' 536' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.446 -0.262 . . . . 51.42 112.446 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1206 ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.07 91.54 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.499 -0.48 . . . . 37.43 111.437 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1207 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.43 -40.35 73.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.949 -0.701 . . . . 42.59 111.321 -175.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1208 ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.8 -38.39 86.4 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.795 -0.762 . . . . 48.69 111.193 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1209 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.99 -45.57 85.04 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.467 -0.493 . . . . 64.8 110.99 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1210 ' ' LEU . . . . . 0.431 HD23 HD12 ' D' 1210 ' ' LEU . 30.3 tp -58.65 -35.98 73.4 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.457 -0.497 . . . . 36.78 110.995 176.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1211 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -64.08 -46.71 83.08 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.743 -0.383 . . . . 37.2 110.786 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1212 ' ' GLY . . . . . . . . . . . . . . . -59.34 -32.85 73.43 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.134 -1.031 . . . . 40.78 112.739 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1213 ' ' GLN . . . . . 0.761 ' HA ' ' HD3' ' B' 1216 ' ' LYS . 70.7 mt-30 -70.93 -48.06 55.65 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.365 -0.534 . . . . 51.39 111.216 -179.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1214 ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -57.61 -42.06 82.49 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 122.153 -0.342 . . . . 52.15 111.156 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1215 ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.99 -49.22 85.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.095 0.474 . . . . 36.51 110.404 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1216 ' ' LYS . . . . . 0.761 ' HD3' ' HA ' ' B' 1213 ' ' GLN . 0.0 OUTLIER -64.75 -29.33 70.31 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.283 -0.567 . . . . 74.81 111.551 -179.727 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 1217 ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.82 67.75 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.028 -0.669 . . . . 42.61 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1218 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.9 -35.51 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.355 -0.538 . . . . 44.67 110.52 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1219 ' ' LYS . . . . . . . . . . . . . 61.3 mttt -63.33 -35.42 80.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.487 -0.485 . . . . 56.69 111.137 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1220 ' ' LYS . . . . . . . . . . . . . 6.1 mttt -58.38 -50.15 74.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.006 0.431 . . . . 78.67 110.635 171.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1221 ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' B' 1225 ' ' MET . 10.1 mm -51.55 -42.32 29.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.168 0.509 . . . . 45.5 110.162 175.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1222 ' ' LYS . . . . . . . . . . . . . 15.4 tttt -63.53 -40.66 97.61 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 122.178 -0.326 . . . . 52.93 111.386 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1223 ' ' CYS . . . . . . . . . . . . . 96.4 m -59.9 -45.45 92.49 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.66 -0.416 . . . . 53.82 111.138 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1224 ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -58.37 -45.1 88.9 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.617 -0.433 . . . . 52.79 110.933 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1225 ' ' MET . . . . . 0.429 ' HG2' ' O ' ' B' 1221 ' ' ILE . 33.4 mmt -65.9 -34.47 78.19 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.391 -0.524 . . . . 74.14 111.123 179.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1226 ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.47 -56.36 14.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.902 0.382 . . . . 67.31 110.961 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1227 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -50.0 -40.93 45.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.042 0.449 . . . . 94.98 111.092 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1228 ' ' TYR . . . . . 0.492 ' HE1' ' HG3' ' A' ' 511' ' ' ARG . 87.1 t80 -60.23 -50.46 73.55 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.716 -0.393 . . . . 51.2 111.044 176.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1229 ' ' ILE . . . . . . . . . . . . . 27.3 mt -64.34 -39.73 86.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 120.82 0.343 . . . . 53.63 110.767 -175.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1230 ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -58.25 -40.83 82.78 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.37 -0.532 . . . . 53.04 110.996 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1231 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.96 -32.59 73.93 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.025 -0.67 . . . . 90.58 111.056 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1232 ' ' SER . . . . . 0.851 ' OG ' ' NH1' ' A' ' 511' ' ' ARG . 28.0 m -55.03 -53.71 52.37 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.144 0.497 . . . . 55.38 110.689 172.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1233 ' ' LYS . . . . . . . . . . . . . 10.6 mttt -61.63 -41.53 97.62 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.764 -0.374 . . . . 60.15 111.123 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1234 ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -61.35 -43.27 99.16 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.423 -0.511 . . . . 63.66 110.835 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1235 ' ' ARG . . . . . . . . . . . . . 27.6 mtp-105 -63.46 -47.76 80.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.388 -0.525 . . . . 63.85 111.03 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1236 ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.54 71.6 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.826 -0.75 . . . . 61.52 111.168 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1237 ' ' ALA . . . . . . . . . . . . . . . -71.43 -38.72 71.35 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.312 -0.555 . . . . 51.19 111.083 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1238 ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -62.8 -32.87 74.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.613 -0.435 . . . . 68.53 111.116 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1239 ' ' MET . . . . . . . . . . . . . 56.7 mmm -55.94 -40.77 73.65 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.945 0.402 . . . . 59.9 111.194 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1240 ' ' VAL . . . . . . . . . . . . . 9.3 t -58.96 -48.35 86.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.191 0.52 . . . . 51.62 110.398 -177.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1241 ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -61.9 -38.75 89.51 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.285 -0.566 . . . . 89.07 110.955 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1242 ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.91 85.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.511 -0.475 . . . . 50.83 111.446 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1243 ' ' GLU . . . . . 0.848 ' OE2' ' N ' ' C' ' 498' ' ' ALA . 1.2 tm-20 -73.07 -36.58 66.87 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.213 -0.595 . . . . 94.46 111.035 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1244 ' ' VAL . . . . . . . . . . . . . 78.3 t -61.42 -34.52 61.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.463 -0.495 . . . . 58.99 110.318 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1245 ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' 1248 ' ' ARG . 6.8 mp -73.92 -27.83 61.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.431 -0.507 . . . . 69.8 112.109 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1246 ' ' ARG . . . . . 0.655 ' HD2' ' OE1' ' B' 1243 ' ' GLU . 0.0 OUTLIER -80.46 -20.39 43.85 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 117.372 -1.731 . . . . 104.96 110.949 176.091 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B 1247 ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' B' 1246 ' ' ARG . 20.6 mt-10 -62.16 -27.72 69.16 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.909 -0.716 . . . . 73.99 110.288 168.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1248 ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' B' 1245 ' ' LEU . 25.1 ttm180 -61.76 -36.18 80.28 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.751 -0.38 . . . . 70.67 111.078 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1249 ' ' GLN . . . . . 0.454 ' OE1' ' HG2' ' B' 1250 ' ' GLU . 6.7 tm0? -64.45 -36.07 82.98 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.768 -0.773 . . . . 108.35 111.292 177.769 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1250 ' ' GLU . . . . . 0.454 ' HG2' ' OE1' ' B' 1249 ' ' GLN . 7.1 mm-40 -81.25 -23.17 38.19 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.919 0.711 . . . . 104.05 112.919 -177.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1251 ' ' THR . . . . . 0.466 HG22 ' HA ' ' B' 1248 ' ' ARG . 5.8 t -81.48 -25.52 35.95 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.314 -0.954 . . . . 90.76 111.459 175.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B 1252 ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.77 92.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.795 -0.762 . . . . 78.37 110.295 166.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1253 ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -57.43 -49.39 76.4 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.247 0.546 . . . . 95.83 110.726 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1254 ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -66.85 -21.05 66.03 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.013 0.746 . . . . 76.05 113.013 -173.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1255 ' ' MET . . . . . . . . . . . . . 22.0 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.56 0.618 . . . . 78.54 112.066 -179.749 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 498' ' ' ALA . . . . . 0.848 ' N ' ' OE2' ' B' 1243 ' ' GLU . . . . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.651 0.262 . . . . 101.83 110.358 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 499' ' ' CYS . . . . . . . . . . . . . 55.5 m -91.42 -12.81 33.69 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.601 0.963 . . . . 117.73 113.601 -159.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 500' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.7 -45.06 91.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 118.645 0.657 . . . . 97.68 110.748 167.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 501' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -80.94 -38.77 27.24 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 122.086 -0.384 . . . . 91.99 111.139 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 502' ' ' THR . . . . . . . . . . . . . 68.6 p -61.89 -45.24 94.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.135 -0.626 . . . . 66.5 110.467 175.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 503' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -65.36 -31.01 71.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.663 -0.415 . . . . 103.04 111.17 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 504' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -45.52 93.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.789 -0.364 . . . . 60.67 110.236 172.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 505' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.49 -46.11 84.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.723 0.297 . . . . 59.72 111.019 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 506' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.65 -38.58 69.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.728 0.299 . . . . 78.68 111.192 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 507' ' ' GLU . . . . . 0.497 ' OE1' ' NH1' ' D' 1235 ' ' ARG . 93.3 mt-10 -65.03 -46.64 80.43 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.723 -0.391 . . . . 68.99 110.944 174.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 508' ' ' GLU . . . . . 0.559 ' HG2' ' NH2' ' D' 1235 ' ' ARG . 24.3 mm-40 -51.86 -45.29 63.99 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.034 0.445 . . . . 65.15 110.916 176.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 509' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -57.89 -42.24 84.23 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.443 -0.344 . . . . 68.98 111.282 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 510' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.89 -43.56 75.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.3 -0.56 . . . . 65.43 110.953 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 511' ' ' ARG . . . . . 0.454 ' O ' HG22 ' C' ' 515' ' ' ILE . 15.2 mtm105 -66.46 -29.39 69.51 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 119.361 -0.352 . . . . 55.97 111.824 177.322 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 512' ' ' SER . . . . . . . . . . . . . 51.0 m -64.88 -40.82 95.73 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 121.007 -0.277 . . . . 67.25 111.257 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 513' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.43 -36.8 79.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.965 -0.294 . . . . 77.64 111.129 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 514' ' ' HIS . . . . . 0.613 ' HB3' HH21 ' C' ' 518' ' ' ARG . 28.7 m170 -73.05 -50.35 23.49 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.355 -0.538 . . . . 81.83 111.25 -174.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 515' ' ' ILE . . . . . 0.454 HG22 ' O ' ' C' ' 511' ' ' ARG . 7.1 tp -57.57 -31.91 40.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.71 -0.396 . . . . 57.17 110.186 175.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 516' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.8 -46.46 85.08 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 122.012 -0.43 . . . . 70.97 111.23 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 517' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.99 -48.6 73.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.761 -0.376 . . . . 76.21 111.013 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 518' ' ' ARG . . . . . 0.613 HH21 ' HB3' ' C' ' 514' ' ' HIS . 6.3 mtm180 -61.15 -31.12 70.85 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.672 0.249 . . . . 79.5 111.672 -175.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 519' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.83 -44.64 61.2 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.176 -0.609 . . . . 46.64 110.837 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 520' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -58.37 -34.81 71.09 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.408 -0.517 . . . . 47.07 111.523 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 521' ' ' ALA . . . . . . . . . . . . . . . -63.93 -54.14 39.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.997 0.427 . . . . 45.9 111.003 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 522' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.14 -29.42 65.53 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.988 -0.285 . . . . 50.8 111.514 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 523' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.47 -48.58 34.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-O 120.778 0.323 . . . . 40.96 110.702 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 524' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.72 -38.09 86.62 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.141 -0.35 . . . . 59.02 111.442 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 525' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.5 -40.68 97.51 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.06 -0.656 . . . . 56.9 110.867 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 526' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.84 -40.75 96.4 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.075 -0.65 . . . . 42.21 110.766 176.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 527' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -37.86 89.0 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.092 -0.643 . . . . 62.27 110.948 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 528' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -73.93 -44.31 55.46 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.249 -0.58 . . . . 96.05 111.495 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 529' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -63.09 -43.34 98.79 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.347 -0.541 . . . . 59.44 111.363 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 530' ' ' SER . . . . . . . . . . . . . 89.9 p -71.94 -40.7 68.52 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.507 -0.477 . . . . 36.88 111.653 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 531' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.32 -38.42 71.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.674 -0.41 . . . . 69.26 111.097 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 532' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -71.27 -42.72 68.4 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.977 -0.689 . . . . 73.99 111.138 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 533' ' ' THR . . . . . . . . . . . . . 21.0 m -56.75 -45.69 81.87 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.66 -0.416 . . . . 35.3 110.949 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 534' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.85 -54.8 29.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.08 0.467 . . . . 32.02 110.355 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 535' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -52.55 -45.86 66.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.392 -0.367 . . . . 58.76 111.599 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 536' ' ' GLN . . . . . 0.7 ' OE1' ' O ' ' C' ' 601' ' ' HOH . 79.1 mt-30 -78.52 -42.37 29.69 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.807 -0.357 . . . . 36.54 111.569 -170.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 537' ' ' PHE . . . . . 0.413 ' CG ' ' HB2' ' D' 1206 ' ' ALA . 34.9 m-85 -68.23 -29.74 68.63 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.227 -0.589 . . . . 36.44 112.016 174.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 538' ' ' THR . . . . . . . . . . . . . 1.3 m -66.75 -27.52 67.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.008 0.367 . . . . 49.99 111.969 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 539' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.28 72.42 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.327 -0.549 . . . . 49.47 111.31 173.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 540' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.332 -0.184 0 O-C-N 122.27 -0.269 . . . . 49.07 110.753 176.365 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1204 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.799 -0.445 . . . . 138.82 109.799 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1205 ' ' GLY . . . . . . . . . . . . . . . -66.43 -34.69 88.57 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.326 -0.94 . . . . 75.32 113.117 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1206 ' ' ALA . . . . . 0.413 ' HB2' ' CG ' ' C' ' 537' ' ' PHE . . . -61.23 -39.37 90.02 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 117.313 0.557 . . . . 32.89 110.885 173.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1207 ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.95 -43.01 99.97 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.848 0.356 . . . . 33.2 111.112 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1208 ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.2 -42.48 88.75 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.776 -0.37 . . . . 98.87 110.89 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1209 ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.07 -53.69 55.56 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.0 0.429 . . . . 46.34 111.004 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1210 ' ' LEU . . . . . 0.431 HD12 HD23 ' B' 1210 ' ' LEU . 53.5 mt -59.52 -41.65 90.47 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.374 -0.53 . . . . 32.93 110.98 -178.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1211 ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -61.21 -40.18 93.0 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.807 -0.357 . . . . 74.51 110.827 174.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1212 ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.16 91.19 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.057 -1.068 . . . . 41.89 112.293 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1213 ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -71.13 -39.1 72.22 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.556 -0.458 . . . . 38.47 111.221 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1214 ' ' TYR . . . . . 0.584 ' CZ ' HD23 ' A' ' 526' ' ' LEU . 46.6 t80 -60.36 -50.05 75.14 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.885 -0.726 . . . . 67.0 110.737 175.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1215 ' ' ILE . . . . . . . . . . . . . 36.7 mm -58.35 -42.55 84.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.125 0.488 . . . . 55.57 110.455 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1216 ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -64.07 -41.37 97.37 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.32 -0.552 . . . . 80.3 111.192 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1217 ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.36 78.12 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.57 -0.452 . . . . 43.78 111.014 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1218 ' ' VAL . . . . . . . . . . . . . 7.7 m -71.99 -32.71 44.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 120.345 -0.542 . . . . 59.99 111.042 -175.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1219 ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -69.6 -25.27 63.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.791 -0.764 . . . . 79.84 111.362 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1220 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -76.35 -36.64 58.11 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.53 -0.468 . . . . 57.34 111.229 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1221 ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.48 -39.96 87.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.125 0.488 . . . . 40.32 110.158 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1222 ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.34 -41.96 88.83 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.963 -0.461 . . . . 64.89 111.195 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1223 ' ' CYS . . . . . . . . . . . . . 58.5 m -61.33 -39.13 89.4 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.028 -0.669 . . . . 54.28 111.088 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1224 ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -67.16 -42.89 83.56 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.388 -0.525 . . . . 58.89 111.218 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1225 ' ' MET . . . . . 0.416 ' HG3' ' SD ' ' B' 1225 ' ' MET . 94.6 mmm -68.58 -37.99 80.31 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.416 -0.513 . . . . 51.34 111.507 179.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1226 ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.28 -44.43 83.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.958 0.409 . . . . 49.76 111.252 176.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1227 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -38.97 63.74 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.435 -0.506 . . . . 92.18 111.301 -179.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1228 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -59.84 -40.45 88.58 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.663 -0.415 . . . . 51.83 111.091 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1229 ' ' ILE . . . . . . . . . . . . . 38.2 mt -70.53 -50.16 47.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 120.946 0.403 . . . . 52.23 110.686 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1230 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.29 -41.99 73.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.443 . . . . 62.77 110.857 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1231 ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -63.54 -40.7 97.68 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.546 -0.462 . . . . 78.53 111.123 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1232 ' ' SER . . . . . . . . . . . . . 6.0 t -66.76 -36.33 82.18 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.0 -0.68 . . . . 66.2 111.249 -176.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1233 ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -72.93 -34.43 66.57 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.107 -0.637 . . . . 69.02 111.342 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1234 ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.8 -40.76 92.24 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.233 -0.587 . . . . 59.1 110.6 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1235 ' ' ARG . . . . . 0.559 ' NH2' ' HG2' ' C' ' 508' ' ' GLU . 1.0 OUTLIER -65.37 -35.07 79.85 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.423 -0.511 . . . . 60.09 111.005 176.924 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D 1236 ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.12 80.62 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.265 -0.574 . . . . 57.45 111.04 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1237 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.48 93.57 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.21 -0.596 . . . . 51.92 110.967 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1238 ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -33.52 71.13 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.802 -0.759 . . . . 82.63 111.35 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1239 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -20.97 62.6 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.605 -0.438 . . . . 59.93 112.018 177.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D 1240 ' ' VAL . . . . . . . . . . . . . 58.4 t -74.46 -46.43 43.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.578 -0.449 . . . . 51.55 110.301 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1241 ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -59.55 -53.02 62.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.974 0.416 . . . . 83.78 111.265 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1242 ' ' ALA . . . . . . . . . . . . . . . -53.93 -26.34 24.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.462 0.541 . . . . 52.31 112.462 -173.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1243 ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -94.05 -34.51 12.98 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.301 0.852 . . . . 104.98 113.301 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1244 ' ' VAL . . . . . . . . . . . . . 9.6 t -55.08 -34.88 33.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 119.895 -0.722 . . . . 62.68 109.572 167.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1245 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.06 -26.8 65.13 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.139 0.422 . . . . 65.58 112.139 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1246 ' ' ARG . . . . . . . . . . . . . 21.7 mtm105 -75.59 -14.89 60.4 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.977 0.732 . . . . 98.57 112.977 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1247 ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.94 -20.61 61.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.595 0.634 . . . . 72.17 112.559 169.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1248 ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -52.08 -42.4 63.16 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.141 -0.624 . . . . 72.02 110.014 171.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1249 ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -60.16 -37.8 81.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.835 -0.346 . . . . 88.2 111.327 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1250 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.58 -48.63 38.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.553 -0.459 . . . . 98.0 111.129 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1251 ' ' THR . . . . . . . . . . . . . 81.8 p -63.11 -31.8 73.02 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.32 -0.552 . . . . 75.88 111.567 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1252 ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.78 89.19 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.38 -0.528 . . . . 83.55 110.653 173.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1253 ' ' ARG . . . . . . . . . . . . . 24.3 tpt85 -58.93 -31.14 68.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.721 -0.392 . . . . 106.46 111.506 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1254 ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -77.04 -31.52 56.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 111.921 0.341 . . . . 79.65 111.921 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D 1255 ' ' MET . . . . . . . . . . . . . 31.6 mtm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 79.6 110.069 173.295 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 109.157 -0.683 . . . . 106.63 109.157 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 68.9 m -52.2 -22.07 3.98 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 124.011 0.819 . . . . 117.13 111.959 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.04 -57.96 6.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.989 0.423 . . . . 102.75 110.219 164.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -75.7 -24.99 56.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.884 0.698 . . . . 97.47 112.884 -171.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 43.0 p -72.19 -41.15 67.31 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.453 0.57 . . . . 67.49 110.696 171.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 503' ' ' ARG . . . . . 0.432 HH11 ' HD1' ' A' ' 504' ' ' PHE . 0.0 OUTLIER -56.19 -36.62 68.58 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 110.238 -0.282 . . . . 106.38 110.238 170.026 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 504' ' ' PHE . . . . . 0.432 ' HD1' HH11 ' A' ' 503' ' ' ARG . 38.0 t80 -67.12 -47.13 72.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.579 -0.448 . . . . 61.35 110.702 -179.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.76 -37.03 85.25 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.736 -0.386 . . . . 60.99 111.029 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -55.29 -54.81 38.82 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.184 0.516 . . . . 69.84 110.758 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.66 -40.83 97.82 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.391 -0.368 . . . . 73.93 111.741 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 508' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.26 -32.53 73.96 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.921 -0.712 . . . . 89.88 111.32 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.43 -47.37 86.05 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.427 -0.509 . . . . 76.38 110.994 173.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.55 -50.99 67.35 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.75 -0.38 . . . . 70.01 111.163 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 511' ' ' ARG . . . . . 0.851 ' NH1' ' OG ' ' B' 1232 ' ' SER . 3.3 ptt-85 -74.99 -24.74 58.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.515 -0.874 . . . . 65.23 111.874 -172.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 512' ' ' SER . . . . . 0.509 ' O ' HG22 ' A' ' 515' ' ' ILE . 4.7 p -76.19 -35.44 59.11 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.405 -0.918 . . . . 59.79 110.654 174.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -65.03 -37.44 87.63 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.72 -0.792 . . . . 85.68 110.695 175.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -62.25 -45.1 94.84 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.579 -0.448 . . . . 92.15 111.068 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 515' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 512' ' ' SER . 8.1 tp -65.26 -33.36 63.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.478 -0.489 . . . . 72.26 110.446 -175.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.12 -42.15 57.01 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.807 -0.558 . . . . 73.43 110.821 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.37 -65.9 0.49 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.73 0.812 . . . . 103.43 111.206 173.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -60.65 -27.7 68.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.766 -0.652 . . . . 93.09 112.039 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.43 -46.29 55.71 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.538 -0.465 . . . . 76.5 111.146 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.82 -34.08 71.11 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.043 -0.663 . . . . 80.45 111.013 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.51 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.188 -0.605 . . . . 90.75 110.723 173.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -70.73 -24.77 62.69 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.751 0.649 . . . . 90.18 112.751 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 523' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 524' ' ' GLU . 12.3 pt -73.12 -45.05 55.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 119.197 -1.001 . . . . 105.08 109.926 171.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 524' ' ' GLU . . . . . 0.486 ' N ' HG13 ' A' ' 523' ' ' ILE . 1.5 mp0 -59.33 -25.72 64.42 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 122.045 -0.409 . . . . 100.58 110.823 174.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.25 -58.53 3.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.786 0.326 . . . . 108.22 111.426 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 526' ' ' LEU . . . . . 0.584 HD23 ' CZ ' ' D' 1214 ' ' TYR . 1.4 tp -77.27 -18.95 57.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.935 0.717 . . . . 113.8 112.935 -174.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -74.88 -40.62 60.83 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.663 -1.215 . . . . 121.63 111.005 173.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -67.09 -22.09 65.84 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.953 -0.299 . . . . 147.14 111.731 169.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 529' ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 526' ' ' LEU . 11.1 mt-10 -80.46 -10.97 59.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.571 0.582 . . . . 138.59 112.571 169.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 530' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 526' ' ' LEU . 12.9 m . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 118.036 0.38 . . . . 119.28 111.535 -173.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 601' ' ' HOH . . . . . 0.7 ' O ' ' OE1' ' C' ' 536' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1205 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.446 -0.262 . . . . 51.42 112.446 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1206 ' ' ALA . . . . . . . . . . . . . . . -59.55 -42.07 91.54 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 120.499 -0.48 . . . . 37.43 111.437 -177.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1207 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.43 -40.35 73.84 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 119.949 -0.701 . . . . 42.59 111.321 -175.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1208 ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -66.8 -38.39 86.4 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.795 -0.762 . . . . 48.69 111.193 178.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1209 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -64.99 -45.57 85.04 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.467 -0.493 . . . . 64.8 110.99 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1210 ' ' LEU . . . . . 0.431 HD23 HD12 ' D' 1210 ' ' LEU . 30.3 tp -58.65 -35.98 73.4 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.457 -0.497 . . . . 36.78 110.995 176.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1211 ' ' ARG . . . . . . . . . . . . . 63.1 ttt-85 -64.08 -46.71 83.08 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.743 -0.383 . . . . 37.2 110.786 175.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1212 ' ' GLY . . . . . . . . . . . . . . . -59.34 -32.85 73.43 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.134 -1.031 . . . . 40.78 112.739 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1213 ' ' GLN . . . . . 0.761 ' HA ' ' HD3' ' B' 1216 ' ' LYS . 70.7 mt-30 -70.93 -48.06 55.65 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.365 -0.534 . . . . 51.39 111.216 -179.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1214 ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -57.61 -42.06 82.49 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 122.153 -0.342 . . . . 52.15 111.156 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1215 ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.99 -49.22 85.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.095 0.474 . . . . 36.51 110.404 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1216 ' ' LYS . . . . . 0.761 ' HD3' ' HA ' ' B' 1213 ' ' GLN . 0.0 OUTLIER -64.75 -29.33 70.31 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.283 -0.567 . . . . 74.81 111.551 -179.727 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 1217 ' ' ALA . . . . . . . . . . . . . . . -71.43 -42.82 67.75 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.028 -0.669 . . . . 42.61 111.101 179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1218 ' ' VAL . . . . . . . . . . . . . 61.0 t -68.9 -35.51 69.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 120.355 -0.538 . . . . 44.67 110.52 179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1219 ' ' LYS . . . . . . . . . . . . . 61.3 mttt -63.33 -35.42 80.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.487 -0.485 . . . . 56.69 111.137 178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1220 ' ' LYS . . . . . . . . . . . . . 6.1 mttt -58.38 -50.15 74.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.006 0.431 . . . . 78.67 110.635 171.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1221 ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' B' 1225 ' ' MET . 10.1 mm -51.55 -42.32 29.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 121.168 0.509 . . . . 45.5 110.162 175.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1222 ' ' LYS . . . . . . . . . . . . . 15.4 tttt -63.53 -40.66 97.61 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 122.178 -0.326 . . . . 52.93 111.386 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1223 ' ' CYS . . . . . . . . . . . . . 96.4 m -59.9 -45.45 92.49 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.66 -0.416 . . . . 53.82 111.138 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1224 ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -58.37 -45.1 88.9 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.617 -0.433 . . . . 52.79 110.933 178.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1225 ' ' MET . . . . . 0.429 ' HG2' ' O ' ' B' 1221 ' ' ILE . 33.4 mmt -65.9 -34.47 78.19 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.391 -0.524 . . . . 74.14 111.123 179.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1226 ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.47 -56.36 14.67 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.902 0.382 . . . . 67.31 110.961 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1227 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -50.0 -40.93 45.99 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.042 0.449 . . . . 94.98 111.092 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1228 ' ' TYR . . . . . 0.492 ' HE1' ' HG3' ' A' ' 511' ' ' ARG . 87.1 t80 -60.23 -50.46 73.55 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.716 -0.393 . . . . 51.2 111.044 176.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1229 ' ' ILE . . . . . . . . . . . . . 27.3 mt -64.34 -39.73 86.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 CA-C-O 120.82 0.343 . . . . 53.63 110.767 -175.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1230 ' ' GLN . . . . . . . . . . . . . 48.6 tp60 -58.25 -40.83 82.78 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.37 -0.532 . . . . 53.04 110.996 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1231 ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.96 -32.59 73.93 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.025 -0.67 . . . . 90.58 111.056 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1232 ' ' SER . . . . . 0.851 ' OG ' ' NH1' ' A' ' 511' ' ' ARG . 28.0 m -55.03 -53.71 52.37 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.144 0.497 . . . . 55.38 110.689 172.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1233 ' ' LYS . . . . . . . . . . . . . 10.6 mttt -61.63 -41.53 97.62 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.764 -0.374 . . . . 60.15 111.123 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1234 ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -61.35 -43.27 99.16 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.423 -0.511 . . . . 63.66 110.835 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1235 ' ' ARG . . . . . . . . . . . . . 27.6 mtp-105 -63.46 -47.76 80.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.388 -0.525 . . . . 63.85 111.03 -179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1236 ' ' ALA . . . . . . . . . . . . . . . -64.21 -30.54 71.6 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 119.826 -0.75 . . . . 61.52 111.168 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1237 ' ' ALA . . . . . . . . . . . . . . . -71.43 -38.72 71.35 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.312 -0.555 . . . . 51.19 111.083 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1238 ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -62.8 -32.87 74.14 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 120.613 -0.435 . . . . 68.53 111.116 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1239 ' ' MET . . . . . . . . . . . . . 56.7 mmm -55.94 -40.77 73.65 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.945 0.402 . . . . 59.9 111.194 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1240 ' ' VAL . . . . . . . . . . . . . 9.3 t -58.96 -48.35 86.83 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 121.191 0.52 . . . . 51.62 110.398 -177.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1241 ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -61.9 -38.75 89.51 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.285 -0.566 . . . . 89.07 110.955 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1242 ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.91 85.62 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.511 -0.475 . . . . 50.83 111.446 -178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1243 ' ' GLU . . . . . 0.848 ' OE2' ' N ' ' C' ' 498' ' ' ALA . 1.2 tm-20 -73.07 -36.58 66.87 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.213 -0.595 . . . . 94.46 111.035 178.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1244 ' ' VAL . . . . . . . . . . . . . 78.3 t -61.42 -34.52 61.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 C-N-CA 120.463 -0.495 . . . . 58.99 110.318 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1245 ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' B' 1248 ' ' ARG . 6.8 mp -73.92 -27.83 61.23 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.431 -0.507 . . . . 69.8 112.109 -177.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1246 ' ' ARG . . . . . 0.655 ' HD2' ' OE1' ' B' 1243 ' ' GLU . 0.0 OUTLIER -80.46 -20.39 43.85 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 117.372 -1.731 . . . . 104.96 110.949 176.091 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B 1247 ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' B' 1246 ' ' ARG . 20.6 mt-10 -62.16 -27.72 69.16 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.909 -0.716 . . . . 73.99 110.288 168.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1248 ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' B' 1245 ' ' LEU . 25.1 ttm180 -61.76 -36.18 80.28 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.751 -0.38 . . . . 70.67 111.078 177.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1249 ' ' GLN . . . . . 0.454 ' OE1' ' HG2' ' B' 1250 ' ' GLU . 6.7 tm0? -64.45 -36.07 82.98 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.768 -0.773 . . . . 108.35 111.292 177.769 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1250 ' ' GLU . . . . . 0.454 ' HG2' ' OE1' ' B' 1249 ' ' GLN . 7.1 mm-40 -81.25 -23.17 38.19 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.919 0.711 . . . . 104.05 112.919 -177.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1251 ' ' THR . . . . . 0.466 HG22 ' HA ' ' B' 1248 ' ' ARG . 5.8 t -81.48 -25.52 35.95 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.314 -0.954 . . . . 90.76 111.459 175.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B 1252 ' ' ALA . . . . . . . . . . . . . . . -64.08 -38.77 92.26 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 119.795 -0.762 . . . . 78.37 110.295 166.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1253 ' ' ARG . . . . . . . . . . . . . 1.2 ttp180 -57.43 -49.39 76.4 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.247 0.546 . . . . 95.83 110.726 175.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1254 ' ' LYS . . . . . . . . . . . . . 27.9 ttmt -66.85 -21.05 66.03 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.013 0.746 . . . . 76.05 113.013 -173.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1255 ' ' MET . . . . . . . . . . . . . 22.0 mtt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 118.56 0.618 . . . . 78.54 112.066 -179.749 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 498' ' ' ALA . . . . . 0.848 ' N ' ' OE2' ' B' 1243 ' ' GLU . . . . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.651 0.262 . . . . 101.83 110.358 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 499' ' ' CYS . . . . . . . . . . . . . 55.5 m -91.42 -12.81 33.69 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 113.601 0.963 . . . . 117.73 113.601 -159.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 500' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.7 -45.06 91.74 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 118.645 0.657 . . . . 97.68 110.748 167.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 501' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -80.94 -38.77 27.24 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 122.086 -0.384 . . . . 91.99 111.139 -168.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 502' ' ' THR . . . . . . . . . . . . . 68.6 p -61.89 -45.24 94.61 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 120.135 -0.626 . . . . 66.5 110.467 175.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 503' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -65.36 -31.01 71.9 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.663 -0.415 . . . . 103.04 111.17 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 504' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -61.63 -45.52 93.72 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 120.789 -0.364 . . . . 60.67 110.236 172.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 505' ' ' LEU . . . . . . . . . . . . . 25.6 tp -64.49 -46.11 84.42 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.723 0.297 . . . . 59.72 111.019 -178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 506' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -55.65 -38.58 69.74 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.728 0.299 . . . . 78.68 111.192 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 507' ' ' GLU . . . . . 0.497 ' OE1' ' NH1' ' D' 1235 ' ' ARG . 93.3 mt-10 -65.03 -46.64 80.43 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.723 -0.391 . . . . 68.99 110.944 174.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 508' ' ' GLU . . . . . 0.559 ' HG2' ' NH2' ' D' 1235 ' ' ARG . 24.3 mm-40 -51.86 -45.29 63.99 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.034 0.445 . . . . 65.15 110.916 176.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 509' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -57.89 -42.24 84.23 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 116.443 -0.344 . . . . 68.98 111.282 -179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 510' ' ' LEU . . . . . . . . . . . . . 9.8 tp -68.89 -43.56 75.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.3 -0.56 . . . . 65.43 110.953 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 511' ' ' ARG . . . . . 0.454 ' O ' HG22 ' C' ' 515' ' ' ILE . 15.2 mtm105 -66.46 -29.39 69.51 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 119.361 -0.352 . . . . 55.97 111.824 177.322 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 512' ' ' SER . . . . . . . . . . . . . 51.0 m -64.88 -40.82 95.73 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 121.007 -0.277 . . . . 67.25 111.257 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 513' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -68.43 -36.8 79.59 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.965 -0.294 . . . . 77.64 111.129 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 514' ' ' HIS . . . . . 0.613 ' HB3' HH21 ' C' ' 518' ' ' ARG . 28.7 m170 -73.05 -50.35 23.49 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.355 -0.538 . . . . 81.83 111.25 -174.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 515' ' ' ILE . . . . . 0.454 HG22 ' O ' ' C' ' 511' ' ' ARG . 7.1 tp -57.57 -31.91 40.53 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 C-N-CA 120.71 -0.396 . . . . 57.17 110.186 175.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 516' ' ' LEU . . . . . . . . . . . . . 5.5 tp -63.8 -46.46 85.08 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 122.012 -0.43 . . . . 70.97 111.23 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 517' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -54.99 -48.6 73.1 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.761 -0.376 . . . . 76.21 111.013 176.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 518' ' ' ARG . . . . . 0.613 HH21 ' HB3' ' C' ' 514' ' ' HIS . 6.3 mtm180 -61.15 -31.12 70.85 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 111.672 0.249 . . . . 79.5 111.672 -175.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 519' ' ' LEU . . . . . . . . . . . . . 1.5 mt -72.83 -44.64 61.2 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.176 -0.609 . . . . 46.64 110.837 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 520' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -58.37 -34.81 71.09 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.408 -0.517 . . . . 47.07 111.523 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 521' ' ' ALA . . . . . . . . . . . . . . . -63.93 -54.14 39.36 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.997 0.427 . . . . 45.9 111.003 179.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 522' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -58.14 -29.42 65.53 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.988 -0.285 . . . . 50.8 111.514 -179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 523' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.47 -48.58 34.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-O 120.778 0.323 . . . . 40.96 110.702 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 524' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -61.72 -38.09 86.62 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.141 -0.35 . . . . 59.02 111.442 -179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 525' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -62.5 -40.68 97.51 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.06 -0.656 . . . . 56.9 110.867 175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 526' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.84 -40.75 96.4 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.075 -0.65 . . . . 42.21 110.766 176.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 527' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.42 -37.86 89.0 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.092 -0.643 . . . . 62.27 110.948 -179.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 528' ' ' ARG . . . . . . . . . . . . . 23.3 mtm105 -73.93 -44.31 55.46 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.249 -0.58 . . . . 96.05 111.495 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 529' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -63.09 -43.34 98.79 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.347 -0.541 . . . . 59.44 111.363 179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 530' ' ' SER . . . . . . . . . . . . . 89.9 p -71.94 -40.7 68.52 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.507 -0.477 . . . . 36.88 111.653 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 531' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.32 -38.42 71.29 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.674 -0.41 . . . . 69.26 111.097 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 532' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -71.27 -42.72 68.4 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.977 -0.689 . . . . 73.99 111.138 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 533' ' ' THR . . . . . . . . . . . . . 21.0 m -56.75 -45.69 81.87 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.66 -0.416 . . . . 35.3 110.949 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 534' ' ' VAL . . . . . . . . . . . . . 78.2 t -61.85 -54.8 29.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 121.08 0.467 . . . . 32.02 110.355 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 535' ' ' ARG . . . . . . . . . . . . . 17.0 ttm105 -52.55 -45.86 66.55 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.392 -0.367 . . . . 58.76 111.599 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 536' ' ' GLN . . . . . 0.7 ' OE1' ' O ' ' C' ' 601' ' ' HOH . 79.1 mt-30 -78.52 -42.37 29.69 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.807 -0.357 . . . . 36.54 111.569 -170.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 537' ' ' PHE . . . . . 0.413 ' CG ' ' HB2' ' D' 1206 ' ' ALA . 34.9 m-85 -68.23 -29.74 68.63 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.227 -0.589 . . . . 36.44 112.016 174.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 538' ' ' THR . . . . . . . . . . . . . 1.3 m -66.75 -27.52 67.67 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 118.008 0.367 . . . . 49.99 111.969 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 539' ' ' ALA . . . . . . . . . . . . . . . -61.63 -32.28 72.42 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.327 -0.549 . . . . 49.47 111.31 173.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 540' ' ' LEU . . . . . . . . . . . . . 87.0 mt . . . . . 0 C--N 1.332 -0.184 0 O-C-N 122.27 -0.269 . . . . 49.07 110.753 176.365 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1204 ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.799 -0.445 . . . . 138.82 109.799 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1205 ' ' GLY . . . . . . . . . . . . . . . -66.43 -34.69 88.57 Favored Glycine 0 C--N 1.335 0.522 0 C-N-CA 120.326 -0.94 . . . . 75.32 113.117 176.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1206 ' ' ALA . . . . . 0.413 ' HB2' ' CG ' ' C' ' 537' ' ' PHE . . . -61.23 -39.37 90.02 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 117.313 0.557 . . . . 32.89 110.885 173.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1207 ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.95 -43.01 99.97 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 120.848 0.356 . . . . 33.2 111.112 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1208 ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -66.2 -42.48 88.75 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.776 -0.37 . . . . 98.87 110.89 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1209 ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.07 -53.69 55.56 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.0 0.429 . . . . 46.34 111.004 177.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1210 ' ' LEU . . . . . 0.431 HD12 HD23 ' B' 1210 ' ' LEU . 53.5 mt -59.52 -41.65 90.47 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.374 -0.53 . . . . 32.93 110.98 -178.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1211 ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -61.21 -40.18 93.0 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.807 -0.357 . . . . 74.51 110.827 174.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1212 ' ' GLY . . . . . . . . . . . . . . . -66.41 -36.16 91.19 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.057 -1.068 . . . . 41.89 112.293 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1213 ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -71.13 -39.1 72.22 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.556 -0.458 . . . . 38.47 111.221 -179.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1214 ' ' TYR . . . . . 0.584 ' CZ ' HD23 ' A' ' 526' ' ' LEU . 46.6 t80 -60.36 -50.05 75.14 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.885 -0.726 . . . . 67.0 110.737 175.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1215 ' ' ILE . . . . . . . . . . . . . 36.7 mm -58.35 -42.55 84.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.125 0.488 . . . . 55.57 110.455 -177.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1216 ' ' LYS . . . . . . . . . . . . . 25.8 ttmt -64.07 -41.37 97.37 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.32 -0.552 . . . . 80.3 111.192 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1217 ' ' ALA . . . . . . . . . . . . . . . -59.29 -49.36 78.12 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 120.57 -0.452 . . . . 43.78 111.014 179.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1218 ' ' VAL . . . . . . . . . . . . . 7.7 m -71.99 -32.71 44.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 C-N-CA 120.345 -0.542 . . . . 59.99 111.042 -175.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1219 ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -69.6 -25.27 63.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 119.791 -0.764 . . . . 79.84 111.362 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1220 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -76.35 -36.64 58.11 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.53 -0.468 . . . . 57.34 111.229 172.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1221 ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.48 -39.96 87.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.125 0.488 . . . . 40.32 110.158 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1222 ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.34 -41.96 88.83 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.963 -0.461 . . . . 64.89 111.195 177.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1223 ' ' CYS . . . . . . . . . . . . . 58.5 m -61.33 -39.13 89.4 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.028 -0.669 . . . . 54.28 111.088 177.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1224 ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -67.16 -42.89 83.56 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.388 -0.525 . . . . 58.89 111.218 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1225 ' ' MET . . . . . 0.416 ' HG3' ' SD ' ' B' 1225 ' ' MET . 94.6 mmm -68.58 -37.99 80.31 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.416 -0.513 . . . . 51.34 111.507 179.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1226 ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.28 -44.43 83.99 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.958 0.409 . . . . 49.76 111.252 176.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1227 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -38.97 63.74 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.435 -0.506 . . . . 92.18 111.301 -179.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1228 ' ' TYR . . . . . . . . . . . . . 37.1 t80 -59.84 -40.45 88.58 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.663 -0.415 . . . . 51.83 111.091 176.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1229 ' ' ILE . . . . . . . . . . . . . 38.2 mt -70.53 -50.16 47.27 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 CA-C-O 120.946 0.403 . . . . 52.23 110.686 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1230 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -55.29 -41.99 73.03 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.594 -0.443 . . . . 62.77 110.857 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1231 ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -63.54 -40.7 97.68 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.546 -0.462 . . . . 78.53 111.123 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1232 ' ' SER . . . . . . . . . . . . . 6.0 t -66.76 -36.33 82.18 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.0 -0.68 . . . . 66.2 111.249 -176.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1233 ' ' LYS . . . . . . . . . . . . . 35.9 mtpt -72.93 -34.43 66.57 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.107 -0.637 . . . . 69.02 111.342 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1234 ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -65.8 -40.76 92.24 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.233 -0.587 . . . . 59.1 110.6 175.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1235 ' ' ARG . . . . . 0.559 ' NH2' ' HG2' ' C' ' 508' ' ' GLU . 1.0 OUTLIER -65.37 -35.07 79.85 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.423 -0.511 . . . . 60.09 111.005 176.924 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D 1236 ' ' ALA . . . . . . . . . . . . . . . -68.47 -41.12 80.62 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.265 -0.574 . . . . 57.45 111.04 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1237 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.48 93.57 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.21 -0.596 . . . . 51.92 110.967 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1238 ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -59.25 -33.52 71.13 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.802 -0.759 . . . . 82.63 111.35 175.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1239 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -20.97 62.6 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.605 -0.438 . . . . 59.93 112.018 177.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D 1240 ' ' VAL . . . . . . . . . . . . . 58.4 t -74.46 -46.43 43.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.578 -0.449 . . . . 51.55 110.301 175.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1241 ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -59.55 -53.02 62.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.974 0.416 . . . . 83.78 111.265 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1242 ' ' ALA . . . . . . . . . . . . . . . -53.93 -26.34 24.92 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.462 0.541 . . . . 52.31 112.462 -173.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1243 ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -94.05 -34.51 12.98 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 113.301 0.852 . . . . 104.98 113.301 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1244 ' ' VAL . . . . . . . . . . . . . 9.6 t -55.08 -34.88 33.18 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 C-N-CA 119.895 -0.722 . . . . 62.68 109.572 167.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1245 ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.06 -26.8 65.13 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.139 0.422 . . . . 65.58 112.139 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1246 ' ' ARG . . . . . . . . . . . . . 21.7 mtm105 -75.59 -14.89 60.4 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.977 0.732 . . . . 98.57 112.977 176.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1247 ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -72.94 -20.61 61.02 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.595 0.634 . . . . 72.17 112.559 169.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1248 ' ' ARG . . . . . . . . . . . . . 23.7 mtt180 -52.08 -42.4 63.16 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.141 -0.624 . . . . 72.02 110.014 171.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1249 ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -60.16 -37.8 81.26 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.835 -0.346 . . . . 88.2 111.327 174.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1250 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -72.58 -48.63 38.37 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.553 -0.459 . . . . 98.0 111.129 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1251 ' ' THR . . . . . . . . . . . . . 81.8 p -63.11 -31.8 73.02 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.32 -0.552 . . . . 75.88 111.567 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1252 ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.78 89.19 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.38 -0.528 . . . . 83.55 110.653 173.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1253 ' ' ARG . . . . . . . . . . . . . 24.3 tpt85 -58.93 -31.14 68.4 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.721 -0.392 . . . . 106.46 111.506 175.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1254 ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -77.04 -31.52 56.32 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 111.921 0.341 . . . . 79.65 111.921 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D 1255 ' ' MET . . . . . . . . . . . . . 31.6 mtm . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 79.6 110.069 173.295 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 498' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.949 0 N-CA-C 109.157 -0.683 . . . . 106.63 109.157 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 68.9 m -52.2 -22.07 3.98 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 124.011 0.819 . . . . 117.13 111.959 175.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 15.7 mt -66.04 -57.96 6.57 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.989 0.423 . . . . 102.75 110.219 164.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -75.7 -24.99 56.28 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.884 0.698 . . . . 97.47 112.884 -171.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' THR . . . . . . . . . . . . . 43.0 p -72.19 -41.15 67.31 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 118.453 0.57 . . . . 67.49 110.696 171.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' ARG . . . . . 0.432 HH11 ' HD1' ' A' ' 504' ' ' PHE . 0.0 OUTLIER -56.19 -36.62 68.58 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 110.238 -0.282 . . . . 106.38 110.238 170.026 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' PHE . . . . . 0.432 ' HD1' HH11 ' A' ' 503' ' ' ARG . 38.0 t80 -67.12 -47.13 72.06 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.579 -0.448 . . . . 61.35 110.702 -179.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.76 -37.03 85.25 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.736 -0.386 . . . . 60.99 111.029 -177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -55.29 -54.81 38.82 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.184 0.516 . . . . 69.84 110.758 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 80.4 mt-10 -63.66 -40.83 97.82 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.391 -0.368 . . . . 73.93 111.741 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.26 -32.53 73.96 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 119.921 -0.712 . . . . 89.88 111.32 177.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -61.43 -47.37 86.05 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.427 -0.509 . . . . 76.38 110.994 173.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.55 -50.99 67.35 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.75 -0.38 . . . . 70.01 111.163 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' ARG . . . . . 0.851 ' NH1' ' OG ' ' B' 1232 ' ' SER . 3.3 ptt-85 -74.99 -24.74 58.47 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.515 -0.874 . . . . 65.23 111.874 -172.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' SER . . . . . 0.509 ' O ' HG22 ' A' ' 515' ' ' ILE . 4.7 p -76.19 -35.44 59.11 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.405 -0.918 . . . . 59.79 110.654 174.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -65.03 -37.44 87.63 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.72 -0.792 . . . . 85.68 110.695 175.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -62.25 -45.1 94.84 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.579 -0.448 . . . . 92.15 111.068 177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' ILE . . . . . 0.509 HG22 ' O ' ' A' ' 512' ' ' SER . 8.1 tp -65.26 -33.36 63.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.478 -0.489 . . . . 72.26 110.446 -175.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.12 -42.15 57.01 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 121.807 -0.558 . . . . 73.43 110.821 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -48.37 -65.9 0.49 Allowed 'General case' 0 C--O 1.236 0.367 0 C-N-CA 123.73 0.812 . . . . 103.43 111.206 173.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -60.65 -27.7 68.01 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.766 -0.652 . . . . 93.09 112.039 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' LEU . . . . . . . . . . . . . 22.3 tp -72.43 -46.29 55.71 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.538 -0.465 . . . . 76.5 111.146 175.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.82 -34.08 71.11 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 120.043 -0.663 . . . . 80.45 111.013 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -60.62 -48.5 81.51 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.188 -0.605 . . . . 90.75 110.723 173.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -70.73 -24.77 62.69 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.751 0.649 . . . . 90.18 112.751 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 524' ' ' GLU . 12.3 pt -73.12 -45.05 55.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 119.197 -1.001 . . . . 105.08 109.926 171.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' GLU . . . . . 0.486 ' N ' HG13 ' A' ' 523' ' ' ILE . 1.5 mp0 -59.33 -25.72 64.42 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 122.045 -0.409 . . . . 100.58 110.823 174.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -69.25 -58.53 3.92 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.786 0.326 . . . . 108.22 111.426 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' LEU . . . . . 0.584 HD23 ' CZ ' ' D' 1214 ' ' TYR . 1.4 tp -77.27 -18.95 57.18 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 112.935 0.717 . . . . 113.8 112.935 -174.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -74.88 -40.62 60.83 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 118.663 -1.215 . . . . 121.63 111.005 173.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -67.09 -22.09 65.84 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.953 -0.299 . . . . 147.14 111.731 169.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 526' ' ' LEU . 11.1 mt-10 -80.46 -10.97 59.73 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.571 0.582 . . . . 138.59 112.571 169.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' SER . . . . . 0.545 ' OG ' ' O ' ' A' ' 526' ' ' LEU . 12.9 m . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 118.036 0.38 . . . . 119.28 111.535 -173.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 601' ' ' HOH . . . . . 0.7 ' O ' ' OE1' ' C' ' 536' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1301 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1302 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D 1303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_