data_5wi2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5wi2 _Structure_validation_residue.Date_analyzed 2017-09-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 377' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 CA--C 1.523 -0.089 0 N-CA-C 112.25 0.463 . . . . 108.31999999999999 112.25 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' THR . . . . . . . . . . . . . 44.8 p -98.55 28.96 3.89 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.48 0.548 . . . . 68.709999999999994 112.48 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -130.68 159.69 36.5 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.83 -0.544 . . . . 76.230000000000004 109.869 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -162.22 159.55 25.9 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.308 -0.627 . . . . 55.82 109.308 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.9 149.04 21.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.425 -0.807 . . . . 62.560000000000002 110.724 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 382' ' ' THR . . . . . . . . . . . . . 4.9 p -108.09 164.22 12.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.806 0.812 . . . . 59.359999999999999 110.699 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 383' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -91.84 6.13 47.29 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.794 -1.093 . . . . 78.709999999999994 112.116 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 87.2 mt -118.21 175.82 5.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.098 0.959 . . . . 68.75 109.552 -170.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 385' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -88.45 -174.39 4.57 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.192 -0.67 . . . . 83.510000000000005 109.192 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 386' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.67 86.62 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.883 -0.511 . . . . 72.530000000000001 111.662 -169.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 387' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -83.64 -24.29 31.44 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.089 0.774 . . . . 97.159999999999997 113.089 -175.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -82.53 -28.81 30.82 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.088 -0.645 . . . . 77.469999999999999 111.555 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -40.84 74.67 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.145 -0.622 . . . . 67.730000000000004 110.594 170.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -62.16 -39.72 93.59 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 121.022 -0.271 . . . . 82.579999999999998 111.178 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.0 -47.24 46.85 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.619 -0.432 . . . . 79.489999999999995 111.516 -177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 392' ' ' CYS . . . . . . . . . . . . . 76.7 m -61.28 -39.67 91.29 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.36 -0.536 . . . . 65.75 111.367 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.99 -39.06 89.99 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.052 -0.405 . . . . 55.399999999999999 111.393 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 394' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -65.22 -48.36 73.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.919 -0.312 . . . . 68.879999999999995 111.498 -174.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.54 -36.05 80.24 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.189 -0.604 . . . . 98.349999999999994 111.526 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 22.7 m -60.1 -44.48 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.502 -0.479 . . . . 52.82 110.931 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 96.7 m -71.84 -36.48 70.18 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.269 -0.573 . . . . 57.520000000000003 111.283 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.17 -33.97 74.22 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.984 -0.686 . . . . 74.840000000000003 111.671 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . . . -72.03 -30.48 65.24 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.107 -0.637 . . . . 65.049999999999997 111.302 175.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.98 -6.46 52.7 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.779 0.659 . . . . 56.560000000000002 112.779 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.88 17.71 57.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.752 1.061 . . . . 61.630000000000003 115.752 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -92.63 140.26 29.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 118.495 1.148 . . . . 66.090000000000003 109.991 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -72.01 137.8 47.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.028 0.442 . . . . 67.859999999999999 110.367 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' TRP . . . . . . . . . . . . . 49.5 t-105 -121.99 106.81 11.56 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.939 0.495 . . . . 69.950000000000003 109.708 -172.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . . . -120.69 133.99 55.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.555 0.742 . . . . 78.629999999999995 109.758 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . . . -96.47 157.04 16.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.732 0.777 . . . . 82.230000000000004 110.619 -175.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -124.22 -55.01 1.68 Allowed 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.594 -0.73 . . . . 100.87 112.485 -176.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 2.0 p -157.42 57.42 0.5 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 122.268 1.032 . . . . 108.48 111.024 -177.72 42.073 119.166 123.3 104.872 2.027 103.625 -79.216 -59.705 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . . . 66.4 -12.27 0.2 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 127.971 2.508 . . . . 103.98 117.098 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -156.48 26.97 0.34 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.254 -1.017 . . . . 93.599999999999994 108.254 175.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . . . -134.09 125.35 27.82 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.025 -1.472 . . . . 78.109999999999999 107.025 173.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 24.6 t -138.99 138.13 41.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.378 . . . . 70.579999999999998 109.978 -172.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' THR . . . . . . . . . . . . . 88.2 m -100.32 128.21 46.44 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.099 -0.704 . . . . 71.810000000000002 109.099 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 73.9 mt -116.76 133.58 63.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.51 -0.922 . . . . 61.479999999999997 108.51 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 14.0 t -136.29 146.58 46.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.188 0.518 . . . . 69.469999999999999 110.338 -173.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 14.8 t -162.44 179.34 7.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.561 -0.903 . . . . 63.5 108.561 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.11 113.28 19.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.064 -1.087 . . . . 72.540000000000006 108.064 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' ASP . . . . . . . . . . . . . 24.1 p-10 -84.46 -178.63 6.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.829 0.823 . . . . 87.700000000000003 111.358 -170.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . . . -52.16 136.26 30.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.452 -0.794 . . . . 97.829999999999998 110.25 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' ARG . . . . . . . . . . . . . . . 74.5 19.8 2.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.64 1.176 . . . . 97.700000000000003 112.481 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' ASN . . . . . 0.658 ' ND2' ' O ' ' A' ' 502' ' ' ACT . 1.4 m-20 65.06 33.55 9.49 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.923 1.453 . . . . 94.819999999999993 114.923 168.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.67 143.1 30.29 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 120.603 -1.311 . . . . 92.299999999999997 109.599 173.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . . . -73.67 130.75 40.66 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.576 -0.45 . . . . 80.010000000000005 109.912 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 67.9 tp -118.07 119.62 35.3 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.697 -0.853 . . . . 71.730000000000004 108.697 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 49.0 mt -128.9 125.96 63.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.117 -1.068 . . . . 63.090000000000003 108.117 -177.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -143.85 155.41 44.11 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.473 0.654 . . . . 63.140000000000001 109.272 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -111.98 148.56 33.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.225 -0.898 . . . . 88.959999999999994 110.791 -174.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.37 135.71 61.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 108.51 -0.922 . . . . 59.600000000000001 108.51 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 429' ' ' ASN . . . . . 0.501 ' OD1' ' NH2' ' A' ' 442' ' ' ARG . 20.0 m120 -124.54 127.83 48.02 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.574 -0.898 . . . . 77.549999999999997 108.574 174.739 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.77 109.42 20.98 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 69.420000000000002 107.182 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 1.5 mp -125.17 148.87 48.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.717 -0.845 . . . . 69.670000000000002 108.717 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 432' ' ' GLU . . . . . 0.524 ' OE2' ' NH2' ' B' ' 442' ' ' ARG . 3.9 tt0 -83.95 130.44 34.9 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-O 121.292 0.568 . . . . 89.079999999999998 110.544 178.701 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 10.0 mmt -139.87 99.35 3.67 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.577 -0.898 . . . . 91.890000000000001 108.577 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.96 61.01 1.98 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.604 0.716 . . . . 88.280000000000001 110.939 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . . . 56.81 34.08 24.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.533 -0.758 . . . . 85.069999999999993 112.291 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -149.05 159.91 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.032 -1.099 . . . . 84.329999999999998 108.032 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.2 mm -108.84 124.37 65.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 107.236 -1.394 . . . . 60.32 107.236 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.68 131.23 52.36 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.465 -1.309 . . . . 61.640000000000001 107.465 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.55 111.59 36.42 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.179 0 N-CA-C 105.315 -2.105 . . . . 60.369999999999997 105.315 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 440' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.32 133.76 52.08 Favored 'General case' 0 C--O 1.187 -2.202 0 N-CA-C 112.578 0.584 . . . . 62.710000000000001 112.578 -177.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 441' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -110.85 128.32 55.74 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.38 -0.6 . . . . 56.07 109.38 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 442' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 429' ' ' ASN . 12.0 ttm105 -124.17 122.68 38.46 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.414 -0.958 . . . . 91.790000000000006 108.414 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.48 128.87 37.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.585 -0.446 . . . . 68.989999999999995 110.102 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 30.8 t -106.19 -43.28 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.232 0.827 . . . . 68.939999999999998 113.232 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . . . -156.46 135.68 12.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.709 -0.849 . . . . 67.689999999999998 108.709 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . 127.35 -176.64 17.79 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-O 122.18 0.878 . . . . 69.390000000000001 112.061 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 447' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 448' ' ' GLY . 54.7 t0 -70.23 141.43 52.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.72 -0.74 . . . . 76.629999999999995 109.563 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 448' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 447' ' ' ASP . . . -70.33 -43.04 63.98 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.056 -1.068 . . . . 57.32 112.539 -176.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.48 -30.7 61.94 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.267 -0.549 . . . . 79.870000000000005 111.499 -177.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -67.22 -29.52 69.19 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.355 -0.938 . . . . 75.459999999999994 111.087 170.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -67.78 -44.71 76.76 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.46 0.647 . . . . 60.719999999999999 110.806 174.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.64 -37.66 88.19 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.852 -0.613 . . . . 79.519999999999996 110.5 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -73.04 -37.64 66.79 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.026 -0.421 . . . . 76.489999999999995 111.915 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -70.52 -32.15 69.5 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.478 -0.889 . . . . 58.350000000000001 111.61 177.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.58 -46.45 88.26 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.348 -0.541 . . . . 51.859999999999999 110.941 172.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.79 -31.08 72.15 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.579 -0.448 . . . . 52.600000000000001 111.559 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . . . -68.02 -40.37 82.94 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.265 -0.574 . . . . 57.369999999999997 111.077 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.22 -44.66 87.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.596 -0.442 . . . . 50.240000000000002 110.71 176.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 601' ' ' HOH . 87.3 tttt -61.08 -39.44 89.9 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.904 -0.498 . . . . 50.090000000000003 111.422 -178.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.3 92.46 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 119.953 -1.118 . . . . 53.049999999999997 112.64 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -69.63 -21.08 63.59 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.667 0.617 . . . . 62.369999999999997 112.667 -177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.4 35.76 4.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.42 0.629 . . . . 56.039999999999999 110.572 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' ILE . . . . . . . . . . . . . 9.1 tp -62.81 -20.68 25.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 122.085 -0.384 . . . . 60.539999999999999 111.933 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -75.91 -19.12 59.06 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.045 0.757 . . . . 71.680000000000007 113.045 -178.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 6.9 pt -96.72 0.72 10.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 118.694 0.679 . . . . 60.189999999999998 112.453 174.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' VAL . . . . . . . . . . . . . 53.2 t -83.12 127.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.12 -0.696 . . . . 63.969999999999999 109.12 -177.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 3.0 t -86.78 147.44 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.425 0.631 . . . . 78.790000000000006 110.017 -177.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.246 -0.888 . . . . 89.640000000000001 112.886 179.741 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 376' ' ' SER . . . . . 0.628 ' N ' ' NH2' ' B' ' 379' ' ' ARG . 97.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.919 0.39 . . . . 82.030000000000001 110.876 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 377' ' ' MET . . . . . . . . . . . . . 14.7 ttp -93.02 -28.97 16.06 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.136 0.791 . . . . 81.299999999999997 113.136 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 378' ' ' THR . . . . . . . . . . . . . 60.2 p -83.65 33.96 0.48 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.062 0.945 . . . . 56.280000000000001 113.176 -173.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 379' ' ' ARG . . . . . 0.628 ' NH2' ' N ' ' B' ' 376' ' ' SER . 10.1 ptp85 -136.79 161.28 36.41 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 118.422 0.556 . . . . 77.019999999999996 110.809 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 380' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -164.33 158.83 19.15 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.243 0.544 . . . . 60.670000000000002 109.649 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 381' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -93.84 147.71 22.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.31 -0.859 . . . . 74.640000000000001 110.55 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 5.8 p -109.86 163.76 13.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.64 0.734 . . . . 66.299999999999997 111.064 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 383' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -93.74 7.39 45.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.178 -0.919 . . . . 97.280000000000001 112.743 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.14 174.86 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.714 . . . . 71.120000000000005 109.684 -172.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.19 -173.22 3.95 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.568 -0.742 . . . . 79.390000000000001 110.144 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 386' ' ' ALA . . . . . . . . . . . . . . . -66.8 -43.31 84.2 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.039 0.385 . . . . 75.709999999999994 112.039 -167.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 387' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -84.75 -23.38 29.28 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.557 -0.857 . . . . 89.090000000000003 112.526 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 388' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -82.87 -30.56 28.5 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.466 -0.494 . . . . 69.989999999999995 111.951 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 62.1 m -70.76 -40.51 72.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.111 -0.635 . . . . 69.219999999999999 110.558 170.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 390' ' ' TYR . . . . . 0.517 ' OH ' ' O ' ' B' ' 504' ' ' ACT . 76.6 t80 -62.18 -39.26 92.1 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.738 -0.385 . . . . 71.540000000000006 111.16 174.826 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 391' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -72.43 -50.18 28.21 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.004 -0.678 . . . . 81.849999999999994 110.849 -175.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 392' ' ' CYS . . . . . . . . . . . . . 20.6 m -57.97 -39.67 78.73 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.587 -0.445 . . . . 62.079999999999998 111.216 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 393' ' ' LEU . . . . . . . . . . . . . 46.0 tp -62.0 -41.37 97.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.619 -0.432 . . . . 66.799999999999997 110.927 177.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 394' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -68.19 -44.36 76.04 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 122.201 -0.312 . . . . 64.359999999999999 111.352 -177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 395' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.84 -39.7 93.99 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.21 -0.596 . . . . 87.329999999999998 111.35 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 396' ' ' THR . . . . . . . . . . . . . 25.0 m -62.81 -44.12 96.99 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.587 0.218 . . . . 53.420000000000002 111.587 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 397' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.58 -36.0 73.34 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.524 -0.47 . . . . 56.509999999999998 111.654 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.45 -32.78 73.04 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.023 -0.671 . . . . 67.650000000000006 111.622 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -71.28 -30.15 65.94 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.113 -0.635 . . . . 77.549999999999997 111.588 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.87 -6.85 54.08 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.983 0.734 . . . . 56.649999999999999 112.983 175.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 401' ' ' GLY . . . . . . . . . . . . . . . 86.66 17.58 59.82 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 119.207 -0.774 . . . . 60.020000000000003 114.973 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 402' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -91.74 140.76 29.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.372 1.086 . . . . 63.920000000000002 109.736 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -71.51 137.15 47.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 67.140000000000001 110.276 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 404' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -120.51 108.12 13.69 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.939 -1.134 . . . . 70.629999999999995 107.939 -173.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 405' ' ' LYS . . . . . . . . . . . . . . . -116.44 133.06 56.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.051 -0.722 . . . . 74.379999999999995 109.051 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 406' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -96.95 123.54 40.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.895 -0.593 . . . . 90.400000000000006 110.19 -173.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 407' ' ' SER . . . . . . . . . . . . . 34.0 t -100.68 -45.13 5.6 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.377 0.671 . . . . 87.299999999999997 112.535 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 408' ' ' CYS . . . . . . . . . . . . . 85.0 m -140.65 -177.09 4.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 106.996 -1.483 . . . . 107.56999999999999 106.996 176.243 -59.705 -79.216 123.3 103.625 2.027 104.872 119.166 42.073 1 1 . 1 . 001 ecloud orig full ' B' B ' 409' ' ' MET . . . . . . . . . . . . . . . -66.8 -6.27 15.45 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.801 -0.36 . . . . 91.459999999999994 111.969 175.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . . . -153.05 26.2 0.54 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-O 119.329 -0.367 . . . . 84.950000000000003 111.657 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 411' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -131.86 123.11 26.84 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.631 -1.618 . . . . 84.890000000000001 106.631 175.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 412' ' ' VAL . . . . . . . . . . . . . 41.7 t -138.91 136.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.783 -0.821 . . . . 67.049999999999997 108.783 -171.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 413' ' ' THR . . . . . . . . . . . . . 88.3 m -100.7 126.87 47.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.734 -1.209 . . . . 60.969999999999999 107.734 172.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 414' ' ' ILE . . . . . . . . . . . . . 75.3 mt -116.1 131.37 68.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.378 -1.342 . . . . 59.159999999999997 107.378 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 80.4 p -136.98 147.97 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.18 0.514 . . . . 64.519999999999996 109.831 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 416' ' ' THR . . . . . . . . . . . . . 14.8 t -161.31 179.64 8.15 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.142 -1.059 . . . . 67.819999999999993 108.142 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 6.2 p -121.2 115.0 22.21 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.128 -1.064 . . . . 81.890000000000001 108.128 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 418' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -83.63 -176.76 6.45 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.081 0.943 . . . . 85.689999999999998 111.577 -169.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 419' ' ' ARG . . . . . . . . . . . . . . . -43.48 -52.11 6.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.624 -1.171 . . . . 93.109999999999999 113.936 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 420' ' ' ARG . . . . . . . . . . . . . . . -81.11 19.02 0.95 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.795 0.665 . . . . 90.75 112.795 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.57 28.33 16.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.906 0.883 . . . . 91.439999999999998 111.822 175.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 422' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -101.07 146.95 26.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.347 0.594 . . . . 82.129999999999995 109.903 173.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 423' ' ' LYS . . . . . . . . . . . . . . . -70.68 131.02 43.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.495 -0.775 . . . . 74.930000000000007 110.502 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 424' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.69 119.27 34.96 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.852 -1.166 . . . . 63.130000000000003 107.852 177.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 425' ' ' ILE . . . . . . . . . . . . . 45.7 mt -129.15 126.8 64.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.489 -0.93 . . . . 60.060000000000002 108.489 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 426' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -142.84 153.8 43.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.28 -0.637 . . . . 57.189999999999998 109.28 174.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 427' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' B' ' 604' ' ' HOH . 27.8 mttt -111.26 149.13 31.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.392 -0.822 . . . . 76.400000000000006 109.822 -174.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 428' ' ' VAL . . . . . . . . . . . . . 46.7 t -121.97 138.62 51.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.42 -0.585 . . . . 58.460000000000001 109.42 -177.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 429' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -122.97 130.3 52.64 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.172 -0.677 . . . . 63.990000000000002 109.172 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 430' ' ' LEU . . . . . . . . . . . . . 66.9 mt -107.94 109.46 20.96 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.532 -1.284 . . . . 71.099999999999994 107.532 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 431' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.65 139.77 52.92 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 81.019999999999996 110.84 -175.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 432' ' ' GLU . . . . . . . . . . . . . . . -82.98 133.17 35.12 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.353 -0.839 . . . . 80.200000000000003 110.79 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 433' ' ' MET . . . . . . . . . . . . . 25.4 mtt -142.9 96.53 2.95 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.496 -0.557 . . . . 95.799999999999997 109.496 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 434' ' ' ASP . . . . . . . . . . . . . . . 60.88 53.05 3.94 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.685 1.365 . . . . 92.239999999999995 114.685 173.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 435' ' ' ASP . . . . . . . . . . . . . . . 65.15 31.04 11.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.465 -1.243 . . . . 90.430000000000007 109.552 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 436' ' ' LYS . . . . . . . . . . . . . . . -149.64 153.94 37.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.781 -1.563 . . . . 84.379999999999995 106.781 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 437' ' ' ILE . . . . . . . . . . . . . 66.8 mt -117.15 129.15 74.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 72.879999999999995 110.178 -174.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 438' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.58 125.99 47.01 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.864 -0.791 . . . . 66.760000000000005 108.864 175.789 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 37.4 t -99.21 112.87 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.462 -1.311 . . . . 57.369999999999997 107.462 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 440' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -108.85 128.27 54.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.506 0.322 . . . . 64.480000000000004 110.535 -175.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 441' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -108.03 127.34 53.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.359 -0.978 . . . . 57.390000000000001 108.359 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 442' ' ' ARG . . . . . 0.524 ' NH2' ' OE2' ' A' ' 432' ' ' GLU . 5.6 ptm180 -125.32 137.45 54.06 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.229 -0.656 . . . . 76.640000000000001 109.229 175.403 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.45 130.37 39.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.944 -0.571 . . . . 61.579999999999998 110.267 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 444' ' ' SER . . . . . . . . . . . . . 30.9 t -104.59 -43.03 5.25 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.543 0.572 . . . . 64.510000000000005 112.543 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . . . -156.48 135.46 11.9 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.574 -0.899 . . . . 61.75 108.574 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . 127.15 -177.51 17.36 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 122.298 0.944 . . . . 56.640000000000001 111.946 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 447' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.48 143.01 50.16 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.484 -0.858 . . . . 64.129999999999995 110.871 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 448' ' ' GLY . . . . . . . . . . . . . . . -70.35 -43.78 61.31 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.171 -1.014 . . . . 57.789999999999999 113.605 -175.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.96 -30.96 61.35 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.819 -0.753 . . . . 65.310000000000002 111.811 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 450' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -67.42 -30.95 70.83 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.73 -0.788 . . . . 74.989999999999995 110.965 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 451' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -65.96 -45.92 79.96 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.702 0.287 . . . . 53.049999999999997 111.054 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 452' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -63.96 -36.2 83.19 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.277 -0.569 . . . . 61.119999999999997 111.352 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 453' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -70.64 -37.23 73.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.04 -0.664 . . . . 79.659999999999997 111.191 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 454' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -70.65 -32.93 70.4 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.83 -0.748 . . . . 56.240000000000002 111.414 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 455' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.79 -46.45 87.96 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.074 -0.65 . . . . 50.32 111.007 172.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 456' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.8 -31.76 73.14 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.411 -0.516 . . . . 48.780000000000001 111.861 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -68.84 -39.27 80.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.01 -0.676 . . . . 80.140000000000001 111.081 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 458' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.99 -44.25 92.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.457 -0.497 . . . . 51.280000000000001 110.405 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 459' ' ' LYS . . . . . 0.641 ' NZ ' ' O ' ' B' ' 603' ' ' HOH . 87.2 tttt -61.12 -38.35 86.05 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.914 -0.492 . . . . 52.75 111.288 -179.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.0 -36.62 93.28 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.093 -1.051 . . . . 55.759999999999998 112.859 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -69.8 -20.33 63.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.71 0.633 . . . . 66.340000000000003 112.71 -177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pp -127.69 34.86 4.58 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.359 0.527 . . . . 63.759999999999998 111.295 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 463' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.81 -22.05 30.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 112.323 0.49 . . . . 65.769999999999996 112.323 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -75.66 -18.5 59.63 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.723 0.638 . . . . 78.689999999999998 112.723 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 465' ' ' ILE . . . . . . . . . . . . . 8.4 pt -96.29 0.82 10.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 118.35 0.523 . . . . 68.540000000000006 112.39 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 466' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.09 122.44 37.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.334 -0.617 . . . . 67.340000000000003 109.334 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 467' ' ' SER . . . . . . . . . . . . . 3.5 t -95.54 151.28 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.394 1.078 . . . . 77.890000000000001 111.364 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 468' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.736 -0.666 . . . . 90.049999999999997 110.991 175.048 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' ACT . . . . . 0.658 ' O ' ' ND2' ' A' ' 421' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' ACT . . . . . 0.517 ' O ' ' OH ' ' B' ' 390' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 601' ' ' HOH . . . . . 0.456 ' O ' ' NZ ' ' A' ' 459' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' HOH . . . . . 0.641 ' O ' ' NZ ' ' B' ' 459' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' HOH . . . . . 0.552 ' O ' ' NZ ' ' B' ' 427' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 377' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 CA--C 1.523 -0.089 0 N-CA-C 112.25 0.463 . . . . 108.31999999999999 112.25 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 378' ' ' THR . . . . . . . . . . . . . 44.8 p -98.55 28.96 3.89 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.48 0.548 . . . . 68.709999999999994 112.48 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 379' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -130.68 159.69 36.5 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.83 -0.544 . . . . 76.230000000000004 109.869 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 380' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -162.22 159.55 25.9 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.308 -0.627 . . . . 55.82 109.308 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.9 149.04 21.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.425 -0.807 . . . . 62.560000000000002 110.724 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 382' ' ' THR . . . . . . . . . . . . . 4.9 p -108.09 164.22 12.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.806 0.812 . . . . 59.359999999999999 110.699 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 383' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 466' ' ' VAL . 77.9 mttt -91.84 6.13 47.29 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.794 -1.093 . . . . 78.709999999999994 112.116 176.32 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 87.2 mt -118.21 175.82 5.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.098 0.959 . . . . 68.75 109.552 -170.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 385' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -88.45 -174.39 4.57 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.192 -0.67 . . . . 83.510000000000005 109.192 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 386' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.67 86.62 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.883 -0.511 . . . . 72.530000000000001 111.662 -169.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 387' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -83.64 -24.29 31.44 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.089 0.774 . . . . 97.159999999999997 113.089 -175.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -82.53 -28.81 30.82 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.088 -0.645 . . . . 77.469999999999999 111.555 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -40.84 74.67 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.145 -0.622 . . . . 67.730000000000004 110.594 170.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -62.16 -39.72 93.59 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 121.022 -0.271 . . . . 82.579999999999998 111.178 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.0 -47.24 46.85 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.619 -0.432 . . . . 79.489999999999995 111.516 -177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 392' ' ' CYS . . . . . . . . . . . . . 76.7 m -61.28 -39.67 91.29 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.36 -0.536 . . . . 65.75 111.367 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.99 -39.06 89.99 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.052 -0.405 . . . . 55.399999999999999 111.393 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 394' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -65.22 -48.36 73.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.919 -0.312 . . . . 68.879999999999995 111.498 -174.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.54 -36.05 80.24 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.189 -0.604 . . . . 98.349999999999994 111.526 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 22.7 m -60.1 -44.48 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.502 -0.479 . . . . 52.82 110.931 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 96.7 m -71.84 -36.48 70.18 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.269 -0.573 . . . . 57.520000000000003 111.283 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.17 -33.97 74.22 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.984 -0.686 . . . . 74.840000000000003 111.671 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . . . -72.03 -30.48 65.24 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.107 -0.637 . . . . 65.049999999999997 111.302 175.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.98 -6.46 52.7 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.779 0.659 . . . . 56.560000000000002 112.779 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.88 17.71 57.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.752 1.061 . . . . 61.630000000000003 115.752 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -92.63 140.26 29.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 118.495 1.148 . . . . 66.090000000000003 109.991 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -72.01 137.8 47.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.028 0.442 . . . . 67.859999999999999 110.367 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 404' ' ' TRP . . . . . 0.417 ' CZ2' HG21 ' A' ' 412' ' ' VAL . 49.5 t-105 -121.99 106.81 11.56 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.939 0.495 . . . . 69.950000000000003 109.708 -172.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . . . -120.69 133.99 55.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.555 0.742 . . . . 78.629999999999995 109.758 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . . . -96.47 157.04 16.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.732 0.777 . . . . 82.230000000000004 110.619 -175.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -124.22 -55.01 1.68 Allowed 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.594 -0.73 . . . . 100.87 112.485 -176.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 2.0 p -157.42 57.42 0.5 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 122.268 1.032 . . . . 108.48 111.024 -177.72 42.073 119.166 123.3 104.872 2.027 103.625 -79.216 -59.705 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . . . 66.4 -12.27 0.2 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 127.971 2.508 . . . . 103.98 117.098 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -156.48 26.97 0.34 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.254 -1.017 . . . . 93.599999999999994 108.254 175.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . . . -134.09 125.35 27.82 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.025 -1.472 . . . . 78.109999999999999 107.025 173.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 412' ' ' VAL . . . . . 0.417 HG21 ' CZ2' ' A' ' 404' ' ' TRP . 24.6 t -138.99 138.13 41.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.378 . . . . 70.579999999999998 109.978 -172.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 413' ' ' THR . . . . . . . . . . . . . 88.2 m -100.32 128.21 46.44 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.099 -0.704 . . . . 71.810000000000002 109.099 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 73.9 mt -116.76 133.58 63.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.51 -0.922 . . . . 61.479999999999997 108.51 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 14.0 t -136.29 146.58 46.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.188 0.518 . . . . 69.469999999999999 110.338 -173.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 14.8 t -162.44 179.34 7.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.561 -0.903 . . . . 63.5 108.561 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.11 113.28 19.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.064 -1.087 . . . . 72.540000000000006 108.064 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 418' ' ' ASP . . . . . 0.452 ' OD2' ' HG2' ' A' ' 450' ' ' GLU . 24.1 p-10 -84.46 -178.63 6.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.829 0.823 . . . . 87.700000000000003 111.358 -170.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . . . -52.16 136.26 30.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.452 -0.794 . . . . 97.829999999999998 110.25 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 420' ' ' ARG . . . . . . . . . . . . . . . 74.5 19.8 2.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.64 1.176 . . . . 97.700000000000003 112.481 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 421' ' ' ASN . . . . . 0.65 ' ND2' ' O ' ' A' ' 502' ' ' ACT . 1.4 m-20 65.06 33.55 9.49 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.923 1.453 . . . . 94.819999999999993 114.923 168.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.67 143.1 30.29 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 120.603 -1.311 . . . . 92.299999999999997 109.599 173.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . . . -73.67 130.75 40.66 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.576 -0.45 . . . . 80.010000000000005 109.912 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 67.9 tp -118.07 119.62 35.3 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.697 -0.853 . . . . 71.730000000000004 108.697 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 49.0 mt -128.9 125.96 63.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.117 -1.068 . . . . 63.090000000000003 108.117 -177.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -143.85 155.41 44.11 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.473 0.654 . . . . 63.140000000000001 109.272 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -111.98 148.56 33.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.225 -0.898 . . . . 88.959999999999994 110.791 -174.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.37 135.71 61.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 108.51 -0.922 . . . . 59.600000000000001 108.51 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 429' ' ' ASN . . . . . 0.501 ' OD1' ' NH2' ' A' ' 442' ' ' ARG . 20.0 m120 -124.54 127.83 48.02 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.574 -0.898 . . . . 77.549999999999997 108.574 174.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.77 109.42 20.98 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 69.420000000000002 107.182 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 431' ' ' LEU . . . . . 0.502 HD21 HD13 ' B' ' 431' ' ' LEU . 1.5 mp -125.17 148.87 48.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.717 -0.845 . . . . 69.670000000000002 108.717 -177.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 432' ' ' GLU . . . . . 0.524 ' OE2' ' NH2' ' B' ' 442' ' ' ARG . 3.9 tt0 -83.95 130.44 34.9 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-O 121.292 0.568 . . . . 89.079999999999998 110.544 178.701 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 10.0 mmt -139.87 99.35 3.67 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.577 -0.898 . . . . 91.890000000000001 108.577 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.96 61.01 1.98 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.604 0.716 . . . . 88.280000000000001 110.939 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . . . 56.81 34.08 24.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.533 -0.758 . . . . 85.069999999999993 112.291 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -149.05 159.91 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.032 -1.099 . . . . 84.329999999999998 108.032 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.2 mm -108.84 124.37 65.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 107.236 -1.394 . . . . 60.32 107.236 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.68 131.23 52.36 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.465 -1.309 . . . . 61.640000000000001 107.465 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.55 111.59 36.42 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.179 0 N-CA-C 105.315 -2.105 . . . . 60.369999999999997 105.315 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 440' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.32 133.76 52.08 Favored 'General case' 0 C--O 1.187 -2.202 0 N-CA-C 112.578 0.584 . . . . 62.710000000000001 112.578 -177.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 441' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -110.85 128.32 55.74 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.38 -0.6 . . . . 56.07 109.38 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 442' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 429' ' ' ASN . 12.0 ttm105 -124.17 122.68 38.46 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.414 -0.958 . . . . 91.790000000000006 108.414 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.48 128.87 37.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.585 -0.446 . . . . 68.989999999999995 110.102 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 30.8 t -106.19 -43.28 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.232 0.827 . . . . 68.939999999999998 113.232 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . . . -156.46 135.68 12.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.709 -0.849 . . . . 67.689999999999998 108.709 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . 127.35 -176.64 17.79 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-O 122.18 0.878 . . . . 69.390000000000001 112.061 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 447' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 448' ' ' GLY . 54.7 t0 -70.23 141.43 52.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.72 -0.74 . . . . 76.629999999999995 109.563 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 448' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 447' ' ' ASP . . . -70.33 -43.04 63.98 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.056 -1.068 . . . . 57.32 112.539 -176.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.48 -30.7 61.94 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.267 -0.549 . . . . 79.870000000000005 111.499 -177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 450' ' ' GLU . . . . . 0.452 ' HG2' ' OD2' ' A' ' 418' ' ' ASP . 12.3 tp10 -67.22 -29.52 69.19 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.355 -0.938 . . . . 75.459999999999994 111.087 170.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -67.78 -44.71 76.76 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.46 0.647 . . . . 60.719999999999999 110.806 174.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.64 -37.66 88.19 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.852 -0.613 . . . . 79.519999999999996 110.5 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -73.04 -37.64 66.79 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.026 -0.421 . . . . 76.489999999999995 111.915 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 454' ' ' HIS . . . . . 0.445 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 28.7 m80 -70.52 -32.15 69.5 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.478 -0.889 . . . . 58.350000000000001 111.61 177.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 455' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.58 -46.45 88.26 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.348 -0.541 . . . . 51.859999999999999 110.941 172.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.79 -31.08 72.15 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.579 -0.448 . . . . 52.600000000000001 111.559 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . . . -68.02 -40.37 82.94 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.265 -0.574 . . . . 57.369999999999997 111.077 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.22 -44.66 87.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.596 -0.442 . . . . 50.240000000000002 110.71 176.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.08 -39.44 89.9 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.904 -0.498 . . . . 50.090000000000003 111.422 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.3 92.46 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 119.953 -1.118 . . . . 53.049999999999997 112.64 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 461' ' ' LYS . . . . . 0.545 ' HG3' ' H11' ' A' ' 503' ' ' GOL . 19.8 tptt -69.63 -21.08 63.59 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.667 0.617 . . . . 62.369999999999997 112.667 -177.009 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.4 35.76 4.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.42 0.629 . . . . 56.039999999999999 110.572 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 463' ' ' ILE . . . . . . . . . . . . . 9.1 tp -62.81 -20.68 25.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 122.085 -0.384 . . . . 60.539999999999999 111.933 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -75.91 -19.12 59.06 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.045 0.757 . . . . 71.680000000000007 113.045 -178.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 6.9 pt -96.72 0.72 10.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 118.694 0.679 . . . . 60.189999999999998 112.453 174.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 466' ' ' VAL . . . . . 0.455 ' O ' ' HE3' ' A' ' 383' ' ' LYS . 53.2 t -83.12 127.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.12 -0.696 . . . . 63.969999999999999 109.12 -177.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 3.0 t -86.78 147.44 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.425 0.631 . . . . 78.790000000000006 110.017 -177.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 468' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.246 -0.888 . . . . 89.640000000000001 112.886 179.741 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 376' ' ' SER . . . . . 0.628 ' N ' ' NH2' ' B' ' 379' ' ' ARG . 97.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.919 0.39 . . . . 82.030000000000001 110.876 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 377' ' ' MET . . . . . . . . . . . . . 14.7 ttp -93.02 -28.97 16.06 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.136 0.791 . . . . 81.299999999999997 113.136 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 378' ' ' THR . . . . . 0.507 HG21 ' CE2' ' B' ' 451' ' ' PHE . 60.2 p -83.65 33.96 0.48 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.062 0.945 . . . . 56.280000000000001 113.176 -173.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 379' ' ' ARG . . . . . 0.843 ' HD3' HD11 ' B' ' 438' ' ' LEU . 10.1 ptp85 -136.79 161.28 36.41 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 118.422 0.556 . . . . 77.019999999999996 110.809 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 380' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -164.33 158.83 19.15 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.243 0.544 . . . . 60.670000000000002 109.649 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 381' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -93.84 147.71 22.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.31 -0.859 . . . . 74.640000000000001 110.55 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 5.8 p -109.86 163.76 13.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.64 0.734 . . . . 66.299999999999997 111.064 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 383' ' ' LYS . . . . . 0.48 ' HG2' ' HB2' ' B' ' 467' ' ' SER . 75.5 mttt -93.74 7.39 45.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.178 -0.919 . . . . 97.280000000000001 112.743 174.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.14 174.86 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.714 . . . . 71.120000000000005 109.684 -172.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.19 -173.22 3.95 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.568 -0.742 . . . . 79.390000000000001 110.144 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 386' ' ' ALA . . . . . . . . . . . . . . . -66.8 -43.31 84.2 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.039 0.385 . . . . 75.709999999999994 112.039 -167.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 387' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -84.75 -23.38 29.28 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.557 -0.857 . . . . 89.090000000000003 112.526 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 388' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -82.87 -30.56 28.5 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.466 -0.494 . . . . 69.989999999999995 111.951 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 62.1 m -70.76 -40.51 72.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.111 -0.635 . . . . 69.219999999999999 110.558 170.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 390' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.18 -39.26 92.1 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.738 -0.385 . . . . 71.540000000000006 111.16 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 391' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' B' ' 395' ' ' GLU . 51.1 tp60 -72.43 -50.18 28.21 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.004 -0.678 . . . . 81.849999999999994 110.849 -175.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 392' ' ' CYS . . . . . . . . . . . . . 20.6 m -57.97 -39.67 78.73 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.587 -0.445 . . . . 62.700000000000003 111.216 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 393' ' ' LEU . . . . . 0.542 HD21 HG11 ' B' ' 428' ' ' VAL . 46.0 tp -62.0 -41.37 97.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.619 -0.432 . . . . 66.799999999999997 110.927 177.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 394' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -68.19 -44.36 76.04 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 122.201 -0.312 . . . . 64.359999999999999 111.352 -177.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 395' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' B' ' 391' ' ' GLN . 14.8 mm-40 -64.84 -39.7 93.99 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.21 -0.596 . . . . 87.329999999999998 111.35 179.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 396' ' ' THR . . . . . . . . . . . . . 25.0 m -62.81 -44.12 96.99 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.587 0.218 . . . . 53.420000000000002 111.587 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 397' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.58 -36.0 73.34 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.524 -0.47 . . . . 56.509999999999998 111.654 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.45 -32.78 73.04 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.023 -0.671 . . . . 67.650000000000006 111.622 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -71.28 -30.15 65.94 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.113 -0.635 . . . . 77.549999999999997 111.588 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.87 -6.85 54.08 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.983 0.734 . . . . 56.649999999999999 112.983 175.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 401' ' ' GLY . . . . . . . . . . . . . . . 86.66 17.58 59.82 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 119.207 -0.774 . . . . 60.020000000000003 114.973 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 402' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -91.74 140.76 29.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.372 1.086 . . . . 63.920000000000002 109.736 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -71.51 137.15 47.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 67.140000000000001 110.276 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 404' ' ' TRP . . . . . 0.425 ' CZ2' HG21 ' B' ' 412' ' ' VAL . 48.4 t-105 -120.51 108.12 13.69 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.939 -1.134 . . . . 70.629999999999995 107.939 -173.744 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 405' ' ' LYS . . . . . . . . . . . . . . . -116.44 133.06 56.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.051 -0.722 . . . . 74.379999999999995 109.051 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 406' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -96.95 123.54 40.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.895 -0.593 . . . . 90.400000000000006 110.19 -173.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 407' ' ' SER . . . . . . . . . . . . . 34.0 t -100.68 -45.13 5.6 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.377 0.671 . . . . 87.299999999999997 112.535 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 408' ' ' CYS . . . . . 0.416 ' HB2' ' HB2' ' B' ' 411' ' ' GLN . 85.0 m -140.65 -177.09 4.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 106.996 -1.483 . . . . 107.56999999999999 106.996 176.243 -59.705 -79.216 123.3 103.625 2.027 104.872 119.166 42.073 2 2 . 1 . 001 ecloud build full ' B' B ' 409' ' ' MET . . . . . . . . . . . . . . . -66.8 -6.27 15.45 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.801 -0.36 . . . . 91.459999999999994 111.969 175.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . . . -153.05 26.2 0.54 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-O 119.329 -0.367 . . . . 84.950000000000003 111.657 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 411' ' ' GLN . . . . . 0.419 ' HG2' ' OD1' ' B' ' 429' ' ' ASN . 7.1 mt-30 -131.86 123.11 26.84 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.631 -1.618 . . . . 84.890000000000001 106.631 175.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 412' ' ' VAL . . . . . 0.425 HG21 ' CZ2' ' B' ' 404' ' ' TRP . 41.7 t -138.91 136.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.783 -0.821 . . . . 67.049999999999997 108.783 -171.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 413' ' ' THR . . . . . . . . . . . . . 88.3 m -100.7 126.87 47.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.734 -1.209 . . . . 60.969999999999999 107.734 172.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 414' ' ' ILE . . . . . . . . . . . . . 75.3 mt -116.1 131.37 68.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.378 -1.342 . . . . 59.159999999999997 107.378 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 80.4 p -136.98 147.97 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.18 0.514 . . . . 64.519999999999996 109.831 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 416' ' ' THR . . . . . . . . . . . . . 14.8 t -161.31 179.64 8.15 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.142 -1.059 . . . . 67.819999999999993 108.142 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 6.2 p -121.2 115.0 22.21 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.128 -1.064 . . . . 81.890000000000001 108.128 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 418' ' ' ASP . . . . . 0.419 ' HB2' ' HG2' ' B' ' 450' ' ' GLU . 21.6 p-10 -83.63 -176.76 6.45 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.081 0.943 . . . . 85.689999999999998 111.577 -169.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 419' ' ' ARG . . . . . . . . . . . . . . . -43.48 -52.11 6.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.624 -1.171 . . . . 93.109999999999999 113.936 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 420' ' ' ARG . . . . . . . . . . . . . . . -81.11 19.02 0.95 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.795 0.665 . . . . 90.75 112.795 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.57 28.33 16.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.906 0.883 . . . . 91.439999999999998 111.822 175.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 422' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -101.07 146.95 26.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.347 0.594 . . . . 82.129999999999995 109.903 173.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 423' ' ' LYS . . . . . . . . . . . . . . . -70.68 131.02 43.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.495 -0.775 . . . . 74.930000000000007 110.502 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 424' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.69 119.27 34.96 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.852 -1.166 . . . . 63.130000000000003 107.852 177.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 425' ' ' ILE . . . . . . . . . . . . . 45.7 mt -129.15 126.8 64.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.489 -0.93 . . . . 60.060000000000002 108.489 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 426' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -142.84 153.8 43.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.28 -0.637 . . . . 57.189999999999998 109.28 174.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -111.26 149.13 31.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.392 -0.822 . . . . 76.400000000000006 109.822 -174.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 428' ' ' VAL . . . . . 0.542 HG11 HD21 ' B' ' 393' ' ' LEU . 46.7 t -121.97 138.62 51.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.42 -0.585 . . . . 58.460000000000001 109.42 -177.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 429' ' ' ASN . . . . . 0.459 ' HB3' HD23 ' A' ' 431' ' ' LEU . 88.2 m-20 -122.97 130.3 52.64 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.172 -0.677 . . . . 63.990000000000002 109.172 176.19 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 430' ' ' LEU . . . . . . . . . . . . . 66.9 mt -107.94 109.46 20.96 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.532 -1.284 . . . . 71.099999999999994 107.532 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 431' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 431' ' ' LEU . 1.0 OUTLIER -126.65 139.77 52.92 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 81.019999999999996 110.84 -175.806 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 432' ' ' GLU . . . . . . . . . . . . . . . -82.98 133.17 35.12 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.353 -0.839 . . . . 80.200000000000003 110.79 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 433' ' ' MET . . . . . . . . . . . . . 25.4 mtt -142.9 96.53 2.95 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.496 -0.557 . . . . 95.799999999999997 109.496 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 434' ' ' ASP . . . . . . . . . . . . . . . 60.88 53.05 3.94 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.685 1.365 . . . . 92.239999999999995 114.685 173.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 435' ' ' ASP . . . . . . . . . . . . . . . 65.15 31.04 11.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.465 -1.243 . . . . 90.430000000000007 109.552 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 436' ' ' LYS . . . . . . . . . . . . . . . -149.64 153.94 37.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.781 -1.563 . . . . 84.379999999999995 106.781 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 437' ' ' ILE . . . . . . . . . . . . . 66.8 mt -117.15 129.15 74.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 72.879999999999995 110.178 -174.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 438' ' ' LEU . . . . . 0.843 HD11 ' HD3' ' B' ' 379' ' ' ARG . 1.0 OUTLIER -100.58 125.99 47.01 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.864 -0.791 . . . . 66.760000000000005 108.864 175.789 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 37.4 t -99.21 112.87 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.462 -1.311 . . . . 57.369999999999997 107.462 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 440' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -108.85 128.27 54.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.506 0.322 . . . . 64.480000000000004 110.535 -175.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 441' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' B' ' 378' ' ' THR . 21.3 m-85 -108.03 127.34 53.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.359 -0.978 . . . . 57.390000000000001 108.359 177.62 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 442' ' ' ARG . . . . . 0.524 ' NH2' ' OE2' ' A' ' 432' ' ' GLU . 5.6 ptm180 -125.32 137.45 54.06 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.229 -0.656 . . . . 76.640000000000001 109.229 175.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.45 130.37 39.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.944 -0.571 . . . . 61.579999999999998 110.267 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 444' ' ' SER . . . . . . . . . . . . . 30.9 t -104.59 -43.03 5.25 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.543 0.572 . . . . 64.510000000000005 112.543 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . . . -156.48 135.46 11.9 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.574 -0.899 . . . . 61.75 108.574 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . 127.15 -177.51 17.36 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 122.298 0.944 . . . . 56.640000000000001 111.946 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 447' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.48 143.01 50.16 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.484 -0.858 . . . . 64.129999999999995 110.871 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 448' ' ' GLY . . . . . . . . . . . . . . . -70.35 -43.78 61.31 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.171 -1.014 . . . . 57.789999999999999 113.605 -175.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.96 -30.96 61.35 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.819 -0.753 . . . . 65.310000000000002 111.811 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 450' ' ' GLU . . . . . 0.419 ' HG2' ' HB2' ' B' ' 418' ' ' ASP . 24.5 tp10 -67.42 -30.95 70.83 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.73 -0.788 . . . . 74.989999999999995 110.965 172.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 451' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' B' ' 378' ' ' THR . 18.9 t80 -65.96 -45.92 79.96 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.702 0.287 . . . . 53.049999999999997 111.054 173.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 452' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -63.96 -36.2 83.19 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.277 -0.569 . . . . 61.119999999999997 111.352 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 453' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -70.64 -37.23 73.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.04 -0.664 . . . . 79.659999999999997 111.191 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 454' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -70.65 -32.93 70.4 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.83 -0.748 . . . . 56.240000000000002 111.414 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 455' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.79 -46.45 87.96 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.074 -0.65 . . . . 50.32 111.007 172.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 456' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.8 -31.76 73.14 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.411 -0.516 . . . . 48.780000000000001 111.861 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -68.84 -39.27 80.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.01 -0.676 . . . . 80.140000000000001 111.081 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 458' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.99 -44.25 92.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.457 -0.497 . . . . 51.280000000000001 110.405 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 459' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.12 -38.35 86.05 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.914 -0.492 . . . . 52.75 111.288 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.0 -36.62 93.28 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.093 -1.051 . . . . 55.759999999999998 112.859 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -69.8 -20.33 63.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.71 0.633 . . . . 66.340000000000003 112.71 -177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pp -127.69 34.86 4.58 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.359 0.527 . . . . 63.759999999999998 111.295 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 463' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.81 -22.05 30.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 112.323 0.49 . . . . 65.769999999999996 112.323 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -75.66 -18.5 59.63 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.723 0.638 . . . . 78.689999999999998 112.723 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 465' ' ' ILE . . . . . . . . . . . . . 8.4 pt -96.29 0.82 10.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 118.35 0.523 . . . . 68.540000000000006 112.39 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 466' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.09 122.44 37.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.334 -0.617 . . . . 67.340000000000003 109.334 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 467' ' ' SER . . . . . 0.48 ' HB2' ' HG2' ' B' ' 383' ' ' LYS . 3.5 t -95.54 151.28 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.394 1.078 . . . . 77.890000000000001 111.364 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 468' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.736 -0.666 . . . . 90.049999999999997 110.991 175.048 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' ACT . . . . . 0.65 ' O ' ' ND2' ' A' ' 421' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 503' ' ' GOL . . . . . 0.545 ' H11' ' HG3' ' A' ' 461' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 501' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 502' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 503' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 504' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' MET . . . . . . . . . . . . . 2.0 mtt . . . . . 0 CA--C 1.523 -0.089 0 N-CA-C 112.25 0.463 . . . . 108.31999999999999 112.25 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' THR . . . . . . . . . . . . . 44.8 p -98.55 28.96 3.89 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.48 0.548 . . . . 68.709999999999994 112.48 -178.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' ARG . . . . . . . . . . . . . 9.0 ptp85 -130.68 159.69 36.5 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 121.83 -0.544 . . . . 76.230000000000004 109.869 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -162.22 159.55 25.9 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.308 -0.627 . . . . 55.82 109.308 175.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 381' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -91.9 149.04 21.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.425 -0.807 . . . . 62.560000000000002 110.724 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 382' ' ' THR . . . . . . . . . . . . . 4.9 p -108.09 164.22 12.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.806 0.812 . . . . 59.359999999999999 110.699 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 383' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 466' ' ' VAL . 77.9 mttt -91.84 6.13 47.29 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 114.794 -1.093 . . . . 78.709999999999994 112.116 176.32 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 87.2 mt -118.21 175.82 5.51 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.098 0.959 . . . . 68.75 109.552 -170.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 385' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -88.45 -174.39 4.57 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.192 -0.67 . . . . 83.510000000000005 109.192 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 386' ' ' ALA . . . . . . . . . . . . . . . -66.93 -41.67 86.62 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 121.883 -0.511 . . . . 72.530000000000001 111.662 -169.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 387' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -83.64 -24.29 31.44 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.089 0.774 . . . . 97.159999999999997 113.089 -175.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 45.8 mttp -82.53 -28.81 30.82 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.088 -0.645 . . . . 77.469999999999999 111.555 172.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 38.1 m -70.11 -40.84 74.67 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.145 -0.622 . . . . 67.730000000000004 110.594 170.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 390' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -62.16 -39.72 93.59 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 121.022 -0.271 . . . . 82.579999999999998 111.178 175.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 391' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -73.0 -47.24 46.85 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.619 -0.432 . . . . 79.489999999999995 111.516 -177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 392' ' ' CYS . . . . . . . . . . . . . 76.7 m -61.28 -39.67 91.29 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.36 -0.536 . . . . 65.75 111.367 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' LEU . . . . . . . . . . . . . 61.3 tp -65.99 -39.06 89.99 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.052 -0.405 . . . . 55.399999999999999 111.393 178.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 394' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -65.22 -48.36 73.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.919 -0.312 . . . . 68.879999999999995 111.498 -174.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.54 -36.05 80.24 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.189 -0.604 . . . . 98.349999999999994 111.526 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 396' ' ' THR . . . . . . . . . . . . . 22.7 m -60.1 -44.48 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.502 -0.479 . . . . 52.82 110.931 177.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 96.7 m -71.84 -36.48 70.18 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.269 -0.573 . . . . 57.520000000000003 111.283 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 398' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.17 -33.97 74.22 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.984 -0.686 . . . . 74.840000000000003 111.671 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . . . -72.03 -30.48 65.24 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.107 -0.637 . . . . 65.049999999999997 111.302 175.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.98 -6.46 52.7 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.779 0.659 . . . . 56.560000000000002 112.779 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' GLY . . . . . . . . . . . . . . . 87.88 17.71 57.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 115.752 1.061 . . . . 61.630000000000003 115.752 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -92.63 140.26 29.73 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 118.495 1.148 . . . . 66.090000000000003 109.991 179.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -72.01 137.8 47.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.028 0.442 . . . . 67.859999999999999 110.367 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' TRP . . . . . 0.417 ' CZ2' HG21 ' A' ' 412' ' ' VAL . 49.5 t-105 -121.99 106.81 11.56 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 122.939 0.495 . . . . 69.950000000000003 109.708 -172.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' LYS . . . . . . . . . . . . . . . -120.69 133.99 55.31 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.555 0.742 . . . . 78.629999999999995 109.758 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' LYS . . . . . . . . . . . . . . . -96.47 157.04 16.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.732 0.777 . . . . 82.230000000000004 110.619 -175.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 5.1 m -124.22 -55.01 1.68 Allowed 'General case' 0 C--O 1.24 0.558 0 CA-C-N 115.594 -0.73 . . . . 100.87 112.485 -176.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' CYS . . . . . . . . . . . . . 2.0 p -157.42 57.42 0.5 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-O 122.268 1.032 . . . . 108.48 111.024 -177.72 42.073 119.166 123.3 104.872 2.027 103.625 -79.216 -59.705 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' MET . . . . . . . . . . . . . . . 66.4 -12.27 0.2 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 127.971 2.508 . . . . 103.98 117.098 174.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -156.48 26.97 0.34 Allowed 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.254 -1.017 . . . . 93.599999999999994 108.254 175.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . . . -134.09 125.35 27.82 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 107.025 -1.472 . . . . 78.109999999999999 107.025 173.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.417 HG21 ' CZ2' ' A' ' 404' ' ' TRP . 24.6 t -138.99 138.13 41.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.978 -0.378 . . . . 70.579999999999998 109.978 -172.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' THR . . . . . . . . . . . . . 88.2 m -100.32 128.21 46.44 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 109.099 -0.704 . . . . 71.810000000000002 109.099 173.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' ILE . . . . . . . . . . . . . 73.9 mt -116.76 133.58 63.0 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 108.51 -0.922 . . . . 61.479999999999997 108.51 -177.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 14.0 t -136.29 146.58 46.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.188 0.518 . . . . 69.469999999999999 110.338 -173.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' THR . . . . . . . . . . . . . 14.8 t -162.44 179.34 7.88 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 108.561 -0.903 . . . . 63.5 108.561 177.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.11 113.28 19.29 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.064 -1.087 . . . . 72.540000000000006 108.064 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' ASP . . . . . 0.452 ' OD2' ' HG2' ' A' ' 450' ' ' GLU . 24.1 p-10 -84.46 -178.63 6.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.829 0.823 . . . . 87.700000000000003 111.358 -170.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . . . -52.16 136.26 30.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.452 -0.794 . . . . 97.829999999999998 110.25 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' ARG . . . . . . . . . . . . . . . 74.5 19.8 2.62 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.64 1.176 . . . . 97.700000000000003 112.481 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.65 ' ND2' ' O ' ' A' ' 502' ' ' ACT . 1.4 m-20 65.06 33.55 9.49 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.923 1.453 . . . . 94.819999999999993 114.923 168.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.67 143.1 30.29 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 120.603 -1.311 . . . . 92.299999999999997 109.599 173.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . . . -73.67 130.75 40.66 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 120.576 -0.45 . . . . 80.010000000000005 109.912 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' LEU . . . . . . . . . . . . . 67.9 tp -118.07 119.62 35.3 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 108.697 -0.853 . . . . 71.730000000000004 108.697 178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' ILE . . . . . . . . . . . . . 49.0 mt -128.9 125.96 63.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 N-CA-C 108.117 -1.068 . . . . 63.090000000000003 108.117 -177.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -143.85 155.41 44.11 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.473 0.654 . . . . 63.140000000000001 109.272 175.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' LYS . . . . . . . . . . . . . 1.8 mttp -111.98 148.56 33.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.225 -0.898 . . . . 88.959999999999994 110.791 -174.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' VAL . . . . . . . . . . . . . 61.3 t -122.37 135.71 61.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 N-CA-C 108.51 -0.922 . . . . 59.600000000000001 108.51 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 429' ' ' ASN . . . . . 0.501 ' OD1' ' NH2' ' A' ' 442' ' ' ARG . 20.0 m120 -124.54 127.83 48.02 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.574 -0.898 . . . . 77.549999999999997 108.574 174.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.77 109.42 20.98 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 107.182 -1.414 . . . . 69.420000000000002 107.182 176.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 431' ' ' LEU . . . . . 0.502 HD21 HD13 ' B' ' 431' ' ' LEU . 1.5 mp -125.17 148.87 48.4 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.717 -0.845 . . . . 69.670000000000002 108.717 -177.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 432' ' ' GLU . . . . . 0.524 ' OE2' ' NH2' ' B' ' 442' ' ' ARG . 3.9 tt0 -83.95 130.44 34.9 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-O 121.292 0.568 . . . . 89.079999999999998 110.544 178.701 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 10.0 mmt -139.87 99.35 3.67 Favored 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.577 -0.898 . . . . 91.890000000000001 108.577 -178.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 59.96 61.01 1.98 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.604 0.716 . . . . 88.280000000000001 110.939 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 435' ' ' ASP . . . . . . . . . . . . . . . 56.81 34.08 24.12 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.533 -0.758 . . . . 85.069999999999993 112.291 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -149.05 159.91 43.8 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.032 -1.099 . . . . 84.329999999999998 108.032 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 437' ' ' ILE . . . . . . . . . . . . . 37.2 mm -108.84 124.37 65.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 107.236 -1.394 . . . . 60.32 107.236 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 1.1 tp -104.68 131.23 52.36 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 107.465 -1.309 . . . . 61.640000000000001 107.465 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 439' ' ' VAL . . . . . . . . . . . . . 23.0 t -107.55 111.59 36.42 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.179 0 N-CA-C 105.315 -2.105 . . . . 60.369999999999997 105.315 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 440' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -108.32 133.76 52.08 Favored 'General case' 0 C--O 1.187 -2.202 0 N-CA-C 112.578 0.584 . . . . 62.710000000000001 112.578 -177.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 441' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -110.85 128.32 55.74 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.38 -0.6 . . . . 56.07 109.38 -179.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.501 ' NH2' ' OD1' ' A' ' 429' ' ' ASN . 12.0 ttm105 -124.17 122.68 38.46 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 108.414 -0.958 . . . . 91.790000000000006 108.414 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 55.4 tp -66.48 128.87 37.87 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 120.585 -0.446 . . . . 68.989999999999995 110.102 176.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 444' ' ' SER . . . . . . . . . . . . . 30.8 t -106.19 -43.28 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.232 0.827 . . . . 68.939999999999998 113.232 177.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 445' ' ' LYS . . . . . . . . . . . . . . . -156.46 135.68 12.1 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 108.709 -0.849 . . . . 67.689999999999998 108.709 177.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 446' ' ' GLY . . . . . . . . . . . . . . . 127.35 -176.64 17.79 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-O 122.18 0.878 . . . . 69.390000000000001 112.061 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 448' ' ' GLY . 54.7 t0 -70.23 141.43 52.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.72 -0.74 . . . . 76.629999999999995 109.563 -179.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 448' ' ' GLY . . . . . 0.48 ' N ' ' OD1' ' A' ' 447' ' ' ASP . . . -70.33 -43.04 63.98 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.056 -1.068 . . . . 57.32 112.539 -176.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 449' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.48 -30.7 61.94 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 122.267 -0.549 . . . . 79.870000000000005 111.499 -177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.452 ' HG2' ' OD2' ' A' ' 418' ' ' ASP . 12.3 tp10 -67.22 -29.52 69.19 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.355 -0.938 . . . . 75.459999999999994 111.087 170.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -67.78 -44.71 76.76 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.46 0.647 . . . . 60.719999999999999 110.806 174.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.64 -37.66 88.19 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.852 -0.613 . . . . 79.519999999999996 110.5 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -73.04 -37.64 66.79 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 122.026 -0.421 . . . . 76.489999999999995 111.915 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' HIS . . . . . 0.445 ' CE1' ' HG3' ' A' ' 450' ' ' GLU . 28.7 m80 -70.52 -32.15 69.5 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 119.478 -0.889 . . . . 58.350000000000001 111.61 177.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -62.58 -46.45 88.26 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.348 -0.541 . . . . 51.859999999999999 110.941 172.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 68.2 mt -64.79 -31.08 72.15 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.579 -0.448 . . . . 52.600000000000001 111.559 -179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' LYS . . . . . . . . . . . . . . . -68.02 -40.37 82.94 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.265 -0.574 . . . . 57.369999999999997 111.077 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.22 -44.66 87.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.596 -0.442 . . . . 50.240000000000002 110.71 176.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.08 -39.44 89.9 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.904 -0.498 . . . . 50.090000000000003 111.422 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.41 -36.3 92.46 Favored Glycine 0 C--N 1.333 0.399 0 C-N-CA 119.953 -1.118 . . . . 53.049999999999997 112.64 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' LYS . . . . . 0.545 ' HG3' ' H11' ' A' ' 503' ' ' GOL . 19.8 tptt -69.63 -21.08 63.59 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 112.667 0.617 . . . . 62.369999999999997 112.667 -177.009 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.4 35.76 4.49 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.42 0.629 . . . . 56.039999999999999 110.572 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' ILE . . . . . . . . . . . . . 9.1 tp -62.81 -20.68 25.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 122.085 -0.384 . . . . 60.539999999999999 111.933 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -75.91 -19.12 59.06 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 113.045 0.757 . . . . 71.680000000000007 113.045 -178.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' ILE . . . . . . . . . . . . . 6.9 pt -96.72 0.72 10.53 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 118.694 0.679 . . . . 60.189999999999998 112.453 174.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' VAL . . . . . 0.455 ' O ' ' HE3' ' A' ' 383' ' ' LYS . 53.2 t -83.12 127.72 39.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.12 -0.696 . . . . 63.969999999999999 109.12 -177.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 3.0 t -86.78 147.44 25.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.425 0.631 . . . . 78.790000000000006 110.017 -177.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 115.246 -0.888 . . . . 89.640000000000001 112.886 179.741 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 376' ' ' SER . . . . . 0.628 ' N ' ' NH2' ' B' ' 379' ' ' ARG . 97.8 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.919 0.39 . . . . 82.030000000000001 110.876 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 377' ' ' MET . . . . . . . . . . . . . 14.7 ttp -93.02 -28.97 16.06 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 113.136 0.791 . . . . 81.299999999999997 113.136 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 378' ' ' THR . . . . . 0.507 HG21 ' CE2' ' B' ' 451' ' ' PHE . 60.2 p -83.65 33.96 0.48 Allowed 'General case' 0 C--O 1.236 0.368 0 C-N-CA 124.062 0.945 . . . . 56.280000000000001 113.176 -173.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 379' ' ' ARG . . . . . 0.843 ' HD3' HD11 ' B' ' 438' ' ' LEU . 10.1 ptp85 -136.79 161.28 36.41 Favored 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 118.422 0.556 . . . . 77.019999999999996 110.809 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 380' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -164.33 158.83 19.15 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.243 0.544 . . . . 60.670000000000002 109.649 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 381' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -93.84 147.71 22.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.31 -0.859 . . . . 74.640000000000001 110.55 174.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 5.8 p -109.86 163.76 13.22 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.64 0.734 . . . . 66.299999999999997 111.064 177.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 383' ' ' LYS . . . . . 0.48 ' HG2' ' HB2' ' B' ' 467' ' ' SER . 75.5 mttt -93.74 7.39 45.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.178 -0.919 . . . . 97.280000000000001 112.743 174.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 384' ' ' LEU . . . . . . . . . . . . . 2.9 mp -116.14 174.86 5.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.714 . . . . 71.120000000000005 109.684 -172.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 385' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -89.19 -173.22 3.95 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.568 -0.742 . . . . 79.390000000000001 110.144 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 386' ' ' ALA . . . . . . . . . . . . . . . -66.8 -43.31 84.2 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.039 0.385 . . . . 75.709999999999994 112.039 -167.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 387' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -84.75 -23.38 29.28 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.557 -0.857 . . . . 89.090000000000003 112.526 -175.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 388' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -82.87 -30.56 28.5 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.466 -0.494 . . . . 69.989999999999995 111.951 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 389' ' ' SER . . . . . . . . . . . . . 62.1 m -70.76 -40.51 72.64 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.111 -0.635 . . . . 69.219999999999999 110.558 170.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 390' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -62.18 -39.26 92.1 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.738 -0.385 . . . . 71.540000000000006 111.16 174.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 391' ' ' GLN . . . . . 0.458 ' O ' ' HG2' ' B' ' 395' ' ' GLU . 9.7 tp-100 -72.43 -50.18 28.21 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.004 -0.678 . . . . 81.849999999999994 110.849 -175.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 392' ' ' CYS . . . . . . . . . . . . . 20.6 m -57.97 -39.67 78.73 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.587 -0.445 . . . . 62.700000000000003 111.216 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 393' ' ' LEU . . . . . 0.542 HD21 HG11 ' B' ' 428' ' ' VAL . 46.0 tp -62.0 -41.37 97.99 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.619 -0.432 . . . . 66.799999999999997 110.927 177.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 394' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -68.19 -44.36 76.04 Favored 'General case' 0 C--O 1.236 0.389 0 O-C-N 122.201 -0.312 . . . . 64.359999999999999 111.352 -177.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 395' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' B' ' 391' ' ' GLN . 14.8 mm-40 -64.84 -39.7 93.99 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.21 -0.596 . . . . 87.329999999999998 111.35 179.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 396' ' ' THR . . . . . . . . . . . . . 25.0 m -62.81 -44.12 96.99 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 111.587 0.218 . . . . 53.420000000000002 111.587 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 397' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.58 -36.0 73.34 Favored 'General case' 0 C--O 1.236 0.395 0 C-N-CA 120.524 -0.47 . . . . 56.509999999999998 111.654 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 398' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.45 -32.78 73.04 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.023 -0.671 . . . . 67.650000000000006 111.622 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 399' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -71.28 -30.15 65.94 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.113 -0.635 . . . . 77.549999999999997 111.588 175.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.87 -6.85 54.08 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.983 0.734 . . . . 56.649999999999999 112.983 175.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 401' ' ' GLY . . . . . . . . . . . . . . . 86.66 17.58 59.82 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 119.207 -0.774 . . . . 60.020000000000003 114.973 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 402' ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -91.74 140.76 29.39 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 118.372 1.086 . . . . 63.920000000000002 109.736 179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -71.51 137.15 47.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.252 0.548 . . . . 67.140000000000001 110.276 176.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 404' ' ' TRP . . . . . 0.425 ' CZ2' HG21 ' B' ' 412' ' ' VAL . 48.4 t-105 -120.51 108.12 13.69 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 107.939 -1.134 . . . . 70.629999999999995 107.939 -173.744 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 405' ' ' LYS . . . . . . . . . . . . . . . -116.44 133.06 56.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.051 -0.722 . . . . 74.379999999999995 109.051 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 406' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -96.95 123.54 40.69 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.895 -0.593 . . . . 90.400000000000006 110.19 -173.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 407' ' ' SER . . . . . . . . . . . . . 34.0 t -100.68 -45.13 5.6 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.377 0.671 . . . . 87.299999999999997 112.535 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 408' ' ' CYS . . . . . 0.416 ' HB2' ' HB2' ' B' ' 411' ' ' GLN . 85.0 m -140.65 -177.09 4.9 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 106.996 -1.483 . . . . 107.56999999999999 106.996 176.243 -59.705 -79.216 123.3 103.625 2.027 104.872 119.166 42.073 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 409' ' ' MET . . . . . . . . . . . . . . . -66.8 -6.27 15.45 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.801 -0.36 . . . . 91.459999999999994 111.969 175.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 410' ' ' ASN . . . . . . . . . . . . . . . -153.05 26.2 0.54 Allowed 'General case' 0 C--O 1.238 0.457 0 CA-C-O 119.329 -0.367 . . . . 84.950000000000003 111.657 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 411' ' ' GLN . . . . . 0.419 ' HG2' ' OD1' ' B' ' 429' ' ' ASN . 7.1 mt-30 -131.86 123.11 26.84 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 106.631 -1.618 . . . . 84.890000000000001 106.631 175.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 412' ' ' VAL . . . . . 0.425 HG21 ' CZ2' ' B' ' 404' ' ' TRP . 41.7 t -138.91 136.62 42.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 108.783 -0.821 . . . . 67.049999999999997 108.783 -171.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 413' ' ' THR . . . . . . . . . . . . . 88.3 m -100.7 126.87 47.27 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 107.734 -1.209 . . . . 60.969999999999999 107.734 172.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 414' ' ' ILE . . . . . . . . . . . . . 75.3 mt -116.1 131.37 68.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 107.378 -1.342 . . . . 59.159999999999997 107.378 -178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 415' ' ' SER . . . . . . . . . . . . . 80.4 p -136.98 147.97 46.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.18 0.514 . . . . 64.519999999999996 109.831 -173.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 416' ' ' THR . . . . . . . . . . . . . 14.8 t -161.31 179.64 8.15 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 108.142 -1.059 . . . . 67.819999999999993 108.142 178.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 417' ' ' THR . . . . . . . . . . . . . 6.2 p -121.2 115.0 22.21 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.128 -1.064 . . . . 81.890000000000001 108.128 179.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 418' ' ' ASP . . . . . 0.419 ' HB2' ' HG2' ' B' ' 450' ' ' GLU . 21.6 p-10 -83.63 -176.76 6.45 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 122.081 0.943 . . . . 85.689999999999998 111.577 -169.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 419' ' ' ARG . . . . . . . . . . . . . . . -43.48 -52.11 6.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.624 -1.171 . . . . 93.109999999999999 113.936 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 420' ' ' ARG . . . . . . . . . . . . . . . -81.11 19.02 0.95 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 112.795 0.665 . . . . 90.75 112.795 -179.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 421' ' ' ASN . . . . . . . . . . . . . 4.1 t30 62.57 28.33 16.63 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.906 0.883 . . . . 91.439999999999998 111.822 175.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 422' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -101.07 146.95 26.78 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.347 0.594 . . . . 82.129999999999995 109.903 173.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 423' ' ' LYS . . . . . . . . . . . . . . . -70.68 131.02 43.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.495 -0.775 . . . . 74.930000000000007 110.502 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 424' ' ' LEU . . . . . . . . . . . . . 24.2 tp -116.69 119.27 34.96 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 107.852 -1.166 . . . . 63.130000000000003 107.852 177.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 425' ' ' ILE . . . . . . . . . . . . . 45.7 mt -129.15 126.8 64.82 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 N-CA-C 108.489 -0.93 . . . . 60.060000000000002 108.489 -176.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 426' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -142.84 153.8 43.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 109.28 -0.637 . . . . 57.189999999999998 109.28 174.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 427' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -111.26 149.13 31.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.392 -0.822 . . . . 76.400000000000006 109.822 -174.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 428' ' ' VAL . . . . . 0.542 HG11 HD21 ' B' ' 393' ' ' LEU . 46.7 t -121.97 138.62 51.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 109.42 -0.585 . . . . 58.460000000000001 109.42 -177.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 429' ' ' ASN . . . . . 0.459 ' HB3' HD23 ' A' ' 431' ' ' LEU . 88.2 m-20 -122.97 130.3 52.64 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 109.172 -0.677 . . . . 63.990000000000002 109.172 176.19 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 430' ' ' LEU . . . . . . . . . . . . . 66.9 mt -107.94 109.46 20.96 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 107.532 -1.284 . . . . 71.099999999999994 107.532 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 431' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 431' ' ' LEU . 1.0 OUTLIER -126.65 139.77 52.92 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.039 0.447 . . . . 81.019999999999996 110.84 -175.806 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 432' ' ' GLU . . . . . . . . . . . . . . . -82.98 133.17 35.12 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.353 -0.839 . . . . 80.200000000000003 110.79 -177.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 433' ' ' MET . . . . . . . . . . . . . 25.4 mtt -142.9 96.53 2.95 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.496 -0.557 . . . . 95.799999999999997 109.496 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 434' ' ' ASP . . . . . . . . . . . . . . . 60.88 53.05 3.94 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.685 1.365 . . . . 92.239999999999995 114.685 173.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 435' ' ' ASP . . . . . . . . . . . . . . . 65.15 31.04 11.18 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.465 -1.243 . . . . 90.430000000000007 109.552 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 436' ' ' LYS . . . . . . . . . . . . . . . -149.64 153.94 37.83 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.781 -1.563 . . . . 84.379999999999995 106.781 173.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 437' ' ' ILE . . . . . . . . . . . . . 66.8 mt -117.15 129.15 74.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.095 -0.502 . . . . 72.879999999999995 110.178 -174.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 438' ' ' LEU . . . . . 0.843 HD11 ' HD3' ' B' ' 379' ' ' ARG . 1.0 OUTLIER -100.58 125.99 47.01 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.864 -0.791 . . . . 66.760000000000005 108.864 175.789 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 439' ' ' VAL . . . . . . . . . . . . . 37.4 t -99.21 112.87 32.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 107.462 -1.311 . . . . 57.369999999999997 107.462 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 440' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -108.85 128.27 54.76 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.506 0.322 . . . . 64.480000000000004 110.535 -175.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 441' ' ' PHE . . . . . 0.479 ' HB2' ' HB ' ' B' ' 378' ' ' THR . 21.3 m-85 -108.03 127.34 53.69 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.359 -0.978 . . . . 57.390000000000001 108.359 177.62 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 442' ' ' ARG . . . . . 0.524 ' NH2' ' OE2' ' A' ' 432' ' ' GLU . 5.6 ptm180 -125.32 137.45 54.06 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.229 -0.656 . . . . 76.640000000000001 109.229 175.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 443' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.45 130.37 39.97 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.944 -0.571 . . . . 61.579999999999998 110.267 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 444' ' ' SER . . . . . . . . . . . . . 30.9 t -104.59 -43.03 5.25 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.543 0.572 . . . . 64.510000000000005 112.543 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 445' ' ' LYS . . . . . . . . . . . . . . . -156.48 135.46 11.9 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.574 -0.899 . . . . 61.75 108.574 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 446' ' ' GLY . . . . . . . . . . . . . . . 127.15 -177.51 17.36 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-O 122.298 0.944 . . . . 56.640000000000001 111.946 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 447' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.48 143.01 50.16 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.484 -0.858 . . . . 64.129999999999995 110.871 -178.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 448' ' ' GLY . . . . . . . . . . . . . . . -70.35 -43.78 61.31 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 120.171 -1.014 . . . . 57.789999999999999 113.605 -175.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 449' ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.96 -30.96 61.35 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.819 -0.753 . . . . 65.310000000000002 111.811 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 450' ' ' GLU . . . . . 0.419 ' HG2' ' HB2' ' B' ' 418' ' ' ASP . 24.5 tp10 -67.42 -30.95 70.83 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.73 -0.788 . . . . 74.989999999999995 110.965 172.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 451' ' ' PHE . . . . . 0.507 ' CE2' HG21 ' B' ' 378' ' ' THR . 18.9 t80 -65.96 -45.92 79.96 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.702 0.287 . . . . 53.049999999999997 111.054 173.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 452' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -63.96 -36.2 83.19 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.277 -0.569 . . . . 61.119999999999997 111.352 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 453' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -70.64 -37.23 73.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.04 -0.664 . . . . 79.659999999999997 111.191 179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 454' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -70.65 -32.93 70.4 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.83 -0.748 . . . . 56.240000000000002 111.414 176.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 455' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -62.79 -46.45 87.96 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.074 -0.65 . . . . 50.32 111.007 172.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 456' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.8 -31.76 73.14 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.411 -0.516 . . . . 48.780000000000001 111.861 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 457' ' ' LYS . . . . . . . . . . . . . 9.7 tttm -68.84 -39.27 80.04 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.01 -0.676 . . . . 80.140000000000001 111.081 175.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 458' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.99 -44.25 92.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.457 -0.497 . . . . 51.280000000000001 110.405 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 459' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.12 -38.35 86.05 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 121.914 -0.492 . . . . 52.75 111.288 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 460' ' ' GLY . . . . . . . . . . . . . . . -65.0 -36.62 93.28 Favored Glycine 0 C--N 1.335 0.504 0 C-N-CA 120.093 -1.051 . . . . 55.759999999999998 112.859 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 461' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -69.8 -20.33 63.46 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 112.71 0.633 . . . . 66.340000000000003 112.71 -177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 462' ' ' LEU . . . . . . . . . . . . . 1.5 pp -127.69 34.86 4.58 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 118.359 0.527 . . . . 63.759999999999998 111.295 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 463' ' ' ILE . . . . . . . . . . . . . 9.2 tp -63.81 -22.05 30.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 N-CA-C 112.323 0.49 . . . . 65.769999999999996 112.323 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 464' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -75.66 -18.5 59.63 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.723 0.638 . . . . 78.689999999999998 112.723 -178.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 465' ' ' ILE . . . . . . . . . . . . . 8.4 pt -96.29 0.82 10.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 CA-C-N 118.35 0.523 . . . . 68.540000000000006 112.39 174.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 466' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.09 122.44 37.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.334 -0.617 . . . . 67.340000000000003 109.334 -177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 467' ' ' SER . . . . . 0.48 ' HB2' ' HG2' ' B' ' 383' ' ' LYS . 3.5 t -95.54 151.28 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.394 1.078 . . . . 77.890000000000001 111.364 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 468' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 115.736 -0.666 . . . . 90.049999999999997 110.991 175.048 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' ACT . . . . . 0.65 ' O ' ' ND2' ' A' ' 421' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' GOL . . . . . 0.545 ' H11' ' HG3' ' A' ' 461' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . 001 ecloud nobuild full ' A' A ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 611' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 612' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 613' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 614' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 615' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 616' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 617' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_