data_2no2_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 2no2 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 114.375 0.51 . . . . 80.15 114.375 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.5 m -64.29 -33.9 76.9 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 110.073 -0.343 . . . . 88.14 110.073 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 482' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.08 -46.71 64.33 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.794 -0.817 . . . . 67.2 108.794 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 483' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.28 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.953 -0.758 . . . . 58.83 108.953 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -58.88 -49.7 76.8 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.024 0.75 . . . . 70.6 113.024 -179.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 485' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.27 -45.38 91.38 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.14 -0.624 . . . . 55.86 111.67 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.16 -41.2 96.34 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.866 0.365 . . . . 52.08 111.509 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 487' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 587' ' ' HOH . 50.8 ttp180 -70.79 -49.1 50.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.779 -0.823 . . . . 100.33 108.779 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -53.96 -49.6 68.37 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.465 -0.789 . . . . 134.73 109.664 -179.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 489' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.77 -34.95 78.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 113.229 0.825 . . . . 67.08 113.229 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -63.41 -35.13 79.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.045 0.45 . . . . 66.0 111.167 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.78 -47.68 65.58 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.226 -0.897 . . . . 126.51 110.172 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 74.7 t -55.67 -35.43 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.389 -0.524 . . . . 73.56 110.745 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -66.46 -41.27 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.137 0.494 . . . . 66.02 110.659 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 494' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -64.32 -41.99 96.54 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 86.44 110.212 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -65.65 -42.96 90.8 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.173 0.511 . . . . 91.11 110.609 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 496' ' ' VAL . . . . . . . . . . . . . 72.7 t -54.38 -49.56 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 N-CA-C 107.809 -1.182 . . . . 53.19 107.809 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 13.1 t -56.75 -46.48 81.37 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.277 0.361 . . . . 84.07 110.541 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 498' ' ' MET . . . . . . . . . . . . . 93.7 mtp -60.76 -40.94 94.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.268 0.47 . . . . 80.19 112.268 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.46 92.68 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.488 -0.56 . . . . 59.2 109.488 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -63.52 -27.14 69.06 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.694 -0.854 . . . . 152.19 108.694 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -76.6 -43.8 37.08 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.136 -0.484 . . . . 82.14 109.789 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.06 74.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.724 -1.213 . . . . 65.75 107.724 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -61.54 2.21 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.401 -1.703 . . . . 102.77 106.401 177.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 78.2 t -53.21 -52.95 25.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 114.2 1.185 . . . . 70.98 114.2 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -61.66 -43.56 98.62 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.827 0.677 . . . . 93.88 112.827 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.77 -53.68 37.14 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.777 -0.369 . . . . 52.09 111.609 179.464 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -53.54 -26.23 20.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 137.01 111.795 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -41.91 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.352 0.596 . . . . 137.92 110.103 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.35 -27.81 69.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.192 -0.67 . . . . 76.8 109.192 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -77.62 -24.01 49.69 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 120.116 -0.634 . . . . 90.81 111.228 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.99 -32.0 71.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.473 -0.491 . . . . 136.83 110.292 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.08 -24.09 32.84 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.648 -0.821 . . . . 105.04 111.308 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.69 -43.19 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 105.09 -2.189 . . . . 57.24 105.09 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -49.69 69.47 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 108.453 -0.943 . . . . 105.93 108.453 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -53.34 46.81 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.551 -0.46 . . . . 114.02 111.857 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 54.5 m -53.0 -44.37 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.055 0.455 . . . . 90.25 110.713 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -47.36 84.76 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.289 -0.634 . . . . 59.3 109.289 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.08 -27.47 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 156.95 111.779 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -83.98 -59.0 2.55 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.805 -0.358 . . . . 137.07 111.324 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 11.3 tt -51.94 -18.31 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.704 0.288 . . . . 66.72 111.378 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 46.2 t -89.44 -50.96 5.8 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 107.662 -1.236 . . . . 81.59 107.662 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.29 -43.54 67.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.263 -0.881 . . . . 156.64 108.935 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -69.92 -41.35 74.77 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.85 0.357 . . . . 165.02 110.976 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -63.85 -29.44 74.79 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.319 -0.943 . . . . 92.74 115.324 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -80.96 -22.35 39.63 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.099 -0.641 . . . . 145.83 111.478 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -85.67 -29.04 24.31 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.142 -0.688 . . . . 145.75 109.142 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -68.71 -36.05 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.498 -0.927 . . . . 123.07 108.498 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 17.1 m -61.81 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.612 -0.884 . . . . 79.69 108.612 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 530' ' ' GLU . 19.1 mm-40 -71.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.538 -0.301 . . . . 104.47 111.693 179.286 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 529' ' ' GLN . 51.7 mt-10 -41.42 -47.49 3.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.269 -0.641 . . . . 129.32 109.269 179.739 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -56.41 -54.17 48.78 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.275 -0.421 . . . . 78.34 110.91 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 55.2 mt -54.46 -35.17 62.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.583 -0.447 . . . . 64.12 110.645 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -76.47 -26.38 55.32 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.901 0.381 . . . . 120.45 110.76 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.41 -43.35 42.72 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 N-CA-C 108.197 -1.038 . . . . 63.07 108.197 178.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.32 -40.71 96.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.299 -0.864 . . . . 84.19 111.553 179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 28.0 tp10 -65.73 -50.87 63.24 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.318 -0.623 . . . . 97.0 109.318 179.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.1 t -57.2 -45.16 84.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.899 -0.591 . . . . 64.5 111.107 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 6.4 tp -52.53 -48.79 65.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.883 -0.598 . . . . 62.74 110.457 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.26 -48.2 82.75 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.723 -0.843 . . . . 81.94 108.723 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -49.22 66.32 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.841 -0.618 . . . . 109.82 110.621 178.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.57 -49.7 76.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.49 -0.323 . . . . 118.52 111.762 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.08 -45.65 90.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.63 -0.259 . . . . 61.37 111.269 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.14 90.27 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.383 0.427 . . . . 63.36 110.68 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 77.3 m -64.15 -50.19 69.18 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.832 -0.747 . . . . 67.03 109.833 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 9.5 t -52.81 -39.44 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.233 -0.44 . . . . 60.98 110.082 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.88 -50.54 70.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.591 -0.444 . . . . 106.39 110.495 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 547' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -55.75 -47.32 77.17 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.582 -0.525 . . . . 112.01 109.582 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.82 -46.94 87.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.805 0.298 . . . . 98.03 111.805 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.0 -38.2 75.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.56 -0.456 . . . . 69.01 111.282 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -67.67 -35.28 78.56 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.17 -0.612 . . . . 126.47 110.665 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.91 -41.11 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 C-N-CA 119.756 -0.777 . . . . 77.59 110.429 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.48 -38.51 89.98 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.071 -1.052 . . . . 55.06 111.346 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.4 -34.57 64.5 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.769 -0.826 . . . . 155.62 108.769 178.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.11 -41.53 31.63 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.778 -0.725 . . . . 54.27 112.122 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.0 m -61.75 -39.54 91.97 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 122.008 -0.701 . . . . 72.33 109.463 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -46.56 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.489 -1.3 . . . . 65.12 107.489 177.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.53 -51.81 52.14 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.416 0.686 . . . . 170.02 111.214 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 558' ' ' THR . . . . . . . . . . . . . 13.5 m -66.4 -51.94 51.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.741 0.305 . . . . 62.92 111.244 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 16.4 t -51.71 -48.01 63.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.634 -1.247 . . . . 65.9 107.634 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.8 -53.17 52.16 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.395 -0.522 . . . . 60.66 110.405 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -55.27 -34.4 64.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.959 -0.564 . . . . 95.1 110.188 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 25.4 t -68.68 -43.76 75.43 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.353 -0.539 . . . . 60.05 112.135 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.2 -36.56 75.59 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 119.893 -0.723 . . . . 59.23 109.264 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.62 44.45 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.562 -0.532 . . . . 50.25 109.562 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 565' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.46 -46.86 70.06 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.262 -0.575 . . . . 76.82 111.857 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 566' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -50.98 -49.67 59.82 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.056 -1.058 . . . . 59.33 111.277 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.0 -53.49 55.1 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.21 -0.45 . . . . 62.21 109.95 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.38 -46.64 85.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.957 -0.386 . . . . 46.1 109.957 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.1 -48.66 75.73 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 108.604 -0.887 . . . . 61.58 108.604 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 570' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.68 -37.8 82.81 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 121.695 0.759 . . . . 61.32 110.39 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.33 78.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.314 -0.857 . . . . 53.04 111.104 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.01 -44.53 91.71 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 112.65 0.611 . . . . 113.13 112.65 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -44.25 97.13 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 107.829 -1.175 . . . . 62.51 107.829 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 574' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -57.49 -50.22 73.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.194 -0.457 . . . . 67.99 110.273 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.88 -47.67 64.41 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.618 -0.512 . . . . 91.01 109.618 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.05 -51.96 65.86 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.241 -0.287 . . . . 75.88 111.692 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.52 -43.78 65.32 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.459 0.474 . . . . 83.54 109.907 179.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 578' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -64.92 -37.85 89.0 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.916 -0.314 . . . . 77.48 110.962 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 75.5 m -61.5 -42.04 98.2 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.642 0.377 . . . . 66.41 111.274 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.62 -28.09 61.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.641 0.978 . . . . 71.89 113.641 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.254 1.331 0 C-N-CA 119.283 -0.967 . . . . 74.62 110.669 -179.619 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 587' ' ' HOH . . . . . 0.436 ' O ' ' NH1' ' A' ' 487' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 588' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 589' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 590' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 591' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 593' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 596' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 597' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 598' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 599' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 600' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 114.375 0.51 . . . . 80.15 114.375 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.5 m -64.29 -33.9 76.9 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 110.073 -0.343 . . . . 88.14 110.073 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 482' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.08 -46.71 64.33 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.794 -0.817 . . . . 67.2 108.794 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 483' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.28 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.953 -0.758 . . . . 58.83 108.953 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 484' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 488' ' ' LYS . 75.4 m-20 -58.88 -49.7 76.8 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.024 0.75 . . . . 70.6 113.024 -179.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 485' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.27 -45.38 91.38 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.14 -0.624 . . . . 55.86 111.67 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.16 -41.2 96.34 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.866 0.365 . . . . 52.08 111.509 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 487' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 587' ' ' HOH . 50.8 ttp180 -70.79 -49.1 50.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.779 -0.823 . . . . 100.33 108.779 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 488' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 484' ' ' ASP . 21.3 ttmt -53.96 -49.6 68.37 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.465 -0.789 . . . . 134.73 109.664 -179.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 489' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.77 -34.95 78.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 113.229 0.825 . . . . 67.08 113.229 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -63.41 -35.13 79.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.045 0.45 . . . . 66.0 111.167 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.78 -47.68 65.58 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.226 -0.897 . . . . 126.51 110.172 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 492' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 496' ' ' VAL . 74.7 t -55.67 -35.43 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.389 -0.524 . . . . 73.56 110.745 -179.466 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -66.46 -41.27 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.137 0.494 . . . . 66.02 110.659 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 494' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -64.32 -41.99 96.54 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 86.44 110.212 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -65.65 -42.96 90.8 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.173 0.511 . . . . 91.11 110.609 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 496' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 492' ' ' VAL . 72.7 t -54.38 -49.56 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 N-CA-C 107.809 -1.182 . . . . 53.19 107.809 178.057 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 13.1 t -56.75 -46.48 81.37 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.277 0.361 . . . . 84.07 110.541 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 498' ' ' MET . . . . . . . . . . . . . 93.7 mtp -60.76 -40.94 94.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.268 0.47 . . . . 80.19 112.268 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.46 92.68 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.488 -0.56 . . . . 59.2 109.488 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -63.52 -27.14 69.06 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.694 -0.854 . . . . 152.19 108.694 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -76.6 -43.8 37.08 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.136 -0.484 . . . . 82.14 109.789 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.06 74.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.724 -1.213 . . . . 65.75 107.724 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 503' ' ' GLN . . . . . 0.63 ' HG3' ' OE2' ' A' ' 507' ' ' GLU . 2.1 tp60 -52.26 -61.54 2.21 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.401 -1.703 . . . . 102.77 106.401 177.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 78.2 t -53.21 -52.95 25.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 114.2 1.185 . . . . 70.98 114.2 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -61.66 -43.56 98.62 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.827 0.677 . . . . 93.88 112.827 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 506' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -65.77 -53.68 37.14 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.777 -0.369 . . . . 52.09 111.609 179.464 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 507' ' ' GLU . . . . . 0.63 ' OE2' ' HG3' ' A' ' 503' ' ' GLN . 34.8 mt-10 -53.54 -26.23 20.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 137.01 111.795 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 508' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -41.91 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.352 0.596 . . . . 137.92 110.103 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.35 -27.81 69.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.192 -0.67 . . . . 76.8 109.192 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -77.62 -24.01 49.69 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 120.116 -0.634 . . . . 90.81 111.228 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.99 -32.0 71.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.473 -0.491 . . . . 136.83 110.292 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.08 -24.09 32.84 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.648 -0.821 . . . . 105.04 111.308 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.69 -43.19 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 105.09 -2.189 . . . . 57.24 105.09 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -49.69 69.47 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 108.453 -0.943 . . . . 105.93 108.453 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -53.34 46.81 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.551 -0.46 . . . . 114.02 111.857 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 516' ' ' SER . . . . . 0.577 ' HA ' ' NH1' ' A' ' 519' ' ' ARG . 54.5 m -53.0 -44.37 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.055 0.455 . . . . 90.25 110.713 -179.808 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -47.36 84.76 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.289 -0.634 . . . . 59.3 109.289 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 518' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.08 -27.47 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 156.95 111.779 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 519' ' ' ARG . . . . . 0.577 ' NH1' ' HA ' ' A' ' 516' ' ' SER . 21.5 mtt85 -83.98 -59.0 2.55 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.805 -0.358 . . . . 137.07 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 11.3 tt -51.94 -18.31 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.704 0.288 . . . . 66.72 111.378 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 46.2 t -89.44 -50.96 5.8 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 107.662 -1.236 . . . . 81.59 107.662 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.29 -43.54 67.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.263 -0.881 . . . . 156.64 108.935 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 523' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 30.8 mm100 -69.92 -41.35 74.77 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.85 0.357 . . . . 165.02 110.976 -179.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -63.85 -29.44 74.79 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.319 -0.943 . . . . 92.74 115.324 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -80.96 -22.35 39.63 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.099 -0.641 . . . . 145.83 111.478 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 526' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' A' ' 530' ' ' GLU . 7.2 ptp180 -85.67 -29.04 24.31 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.142 -0.688 . . . . 145.75 109.142 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -68.71 -36.05 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.498 -0.927 . . . . 123.07 108.498 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 17.1 m -61.81 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.612 -0.884 . . . . 79.69 108.612 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 529' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 530' ' ' GLU . 19.1 mm-40 -71.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.538 -0.301 . . . . 104.47 111.693 179.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 530' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 534' ' ' VAL . 51.7 mt-10 -41.42 -47.49 3.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.269 -0.641 . . . . 129.32 109.269 179.739 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 531' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -56.41 -54.17 48.78 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.275 -0.421 . . . . 78.34 110.91 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 55.2 mt -54.46 -35.17 62.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.583 -0.447 . . . . 64.12 110.645 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -76.47 -26.38 55.32 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.901 0.381 . . . . 120.45 110.76 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 534' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 530' ' ' GLU . 91.7 t -75.41 -43.35 42.72 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 N-CA-C 108.197 -1.038 . . . . 63.07 108.197 178.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 535' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 590' ' ' HOH . 6.4 tt -64.32 -40.71 96.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.299 -0.864 . . . . 84.19 111.553 179.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 536' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 536' ' ' GLU . 28.0 tp10 -65.73 -50.87 63.24 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.318 -0.623 . . . . 97.0 109.318 179.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.1 t -57.2 -45.16 84.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.899 -0.591 . . . . 64.5 111.107 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 6.4 tp -52.53 -48.79 65.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.883 -0.598 . . . . 62.74 110.457 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 539' ' ' LYS . . . . . 0.429 ' HE3' HD21 ' A' ' 535' ' ' LEU . 94.9 mttt -60.26 -48.2 82.75 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.723 -0.843 . . . . 81.94 108.723 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -49.22 66.32 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.841 -0.618 . . . . 109.82 110.621 178.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.57 -49.7 76.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.49 -0.323 . . . . 118.52 111.762 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.08 -45.65 90.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.63 -0.259 . . . . 61.37 111.269 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.14 90.27 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.383 0.427 . . . . 63.36 110.68 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 77.3 m -64.15 -50.19 69.18 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.832 -0.747 . . . . 67.03 109.833 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 9.5 t -52.81 -39.44 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.233 -0.44 . . . . 60.98 110.082 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.88 -50.54 70.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.591 -0.444 . . . . 106.39 110.495 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 547' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -55.75 -47.32 77.17 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.582 -0.525 . . . . 112.01 109.582 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.82 -46.94 87.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.805 0.298 . . . . 98.03 111.805 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.0 -38.2 75.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.56 -0.456 . . . . 69.01 111.282 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -67.67 -35.28 78.56 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.17 -0.612 . . . . 126.47 110.665 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.91 -41.11 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 C-N-CA 119.756 -0.777 . . . . 77.59 110.429 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.48 -38.51 89.98 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.071 -1.052 . . . . 55.06 111.346 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.4 -34.57 64.5 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.769 -0.826 . . . . 155.62 108.769 178.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.11 -41.53 31.63 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.778 -0.725 . . . . 54.27 112.122 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.0 m -61.75 -39.54 91.97 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 122.008 -0.701 . . . . 72.33 109.463 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -46.56 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.489 -1.3 . . . . 65.12 107.489 177.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.53 -51.81 52.14 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.416 0.686 . . . . 170.02 111.214 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 558' ' ' THR . . . . . . . . . . . . . 13.5 m -66.4 -51.94 51.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.741 0.305 . . . . 62.92 111.244 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 16.4 t -51.71 -48.01 63.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.634 -1.247 . . . . 65.9 107.634 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.8 -53.17 52.16 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.395 -0.522 . . . . 60.66 110.405 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 561' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -55.27 -34.4 64.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.959 -0.564 . . . . 95.1 110.188 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 25.4 t -68.68 -43.76 75.43 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.353 -0.539 . . . . 60.05 112.135 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.2 -36.56 75.59 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 119.893 -0.723 . . . . 59.23 109.264 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.62 44.45 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.562 -0.532 . . . . 50.25 109.562 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 565' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.46 -46.86 70.06 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.262 -0.575 . . . . 76.82 111.857 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 566' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -50.98 -49.67 59.82 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.056 -1.058 . . . . 59.33 111.277 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.0 -53.49 55.1 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.21 -0.45 . . . . 62.21 109.95 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.38 -46.64 85.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.957 -0.386 . . . . 46.1 109.957 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.1 -48.66 75.73 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 108.604 -0.887 . . . . 61.58 108.604 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 570' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.68 -37.8 82.81 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 121.695 0.759 . . . . 61.32 110.39 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.33 78.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.314 -0.857 . . . . 53.04 111.104 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.01 -44.53 91.71 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 112.65 0.611 . . . . 113.13 112.65 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -44.25 97.13 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 107.829 -1.175 . . . . 62.51 107.829 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 574' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -57.49 -50.22 73.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.194 -0.457 . . . . 67.99 110.273 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.88 -47.67 64.41 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.618 -0.512 . . . . 91.01 109.618 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.05 -51.96 65.86 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.241 -0.287 . . . . 75.88 111.692 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.52 -43.78 65.32 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.459 0.474 . . . . 83.54 109.907 179.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 578' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -64.92 -37.85 89.0 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.916 -0.314 . . . . 77.48 110.962 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 75.5 m -61.5 -42.04 98.2 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.642 0.377 . . . . 66.41 111.274 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.62 -28.09 61.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.641 0.978 . . . . 71.89 113.641 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.254 1.331 0 C-N-CA 119.283 -0.967 . . . . 74.62 110.669 -179.619 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 587' ' ' HOH . . . . . 0.436 ' O ' ' NH1' ' A' ' 487' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 588' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 589' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 590' ' ' HOH . . . . . 0.539 ' O ' HD22 ' A' ' 535' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 591' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 593' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 596' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 597' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 598' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 599' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 600' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 480' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 114.375 0.51 . . . . 80.15 114.375 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 481' ' ' SER . . . . . . . . . . . . . 68.5 m -64.29 -33.9 76.9 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 110.073 -0.343 . . . . 88.14 110.073 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 482' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.08 -46.71 64.33 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 108.794 -0.817 . . . . 67.2 108.794 179.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 483' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.28 81.35 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.953 -0.758 . . . . 58.83 108.953 179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 484' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 488' ' ' LYS . 75.4 m-20 -58.88 -49.7 76.8 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.024 0.75 . . . . 70.6 113.024 -179.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 485' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.27 -45.38 91.38 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 120.14 -0.624 . . . . 55.86 111.67 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 486' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.16 -41.2 96.34 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 120.866 0.365 . . . . 52.08 111.509 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 487' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 587' ' ' HOH . 50.8 ttp180 -70.79 -49.1 50.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.779 -0.823 . . . . 100.33 108.779 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 488' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 484' ' ' ASP . 21.3 ttmt -53.96 -49.6 68.37 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.465 -0.789 . . . . 134.73 109.664 -179.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 489' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -62.77 -34.95 78.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 113.229 0.825 . . . . 67.08 113.229 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -63.41 -35.13 79.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.045 0.45 . . . . 66.0 111.167 -179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -68.78 -47.68 65.58 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.226 -0.897 . . . . 126.51 110.172 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.58 ' O ' HG23 ' A' ' 496' ' ' VAL . 74.7 t -55.67 -35.43 38.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 120.389 -0.524 . . . . 73.56 110.745 -179.466 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -66.46 -41.27 89.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.137 0.494 . . . . 66.02 110.659 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 494' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -64.32 -41.99 96.54 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.929 -0.578 . . . . 86.44 110.212 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -65.65 -42.96 90.8 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.173 0.511 . . . . 91.11 110.609 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 496' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 492' ' ' VAL . 72.7 t -54.38 -49.56 63.7 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.636 0 N-CA-C 107.809 -1.182 . . . . 53.19 107.809 178.057 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 13.1 t -56.75 -46.48 81.37 Favored 'General case' 0 C--O 1.238 0.486 0 O-C-N 123.277 0.361 . . . . 84.07 110.541 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 498' ' ' MET . . . . . . . . . . . . . 93.7 mtp -60.76 -40.94 94.36 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.268 0.47 . . . . 80.19 112.268 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.46 92.68 Favored 'General case' 0 CA--C 1.519 -0.221 0 N-CA-C 109.488 -0.56 . . . . 59.2 109.488 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 500' ' ' ARG . . . . . . . . . . . . . 8.5 ttp180 -63.52 -27.14 69.06 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.694 -0.854 . . . . 152.19 108.694 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -76.6 -43.8 37.08 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.136 -0.484 . . . . 82.14 109.789 179.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' ALA . . . . . . . . . . . . . . . -56.5 -40.06 74.32 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 107.724 -1.213 . . . . 65.75 107.724 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' GLN . . . . . 0.63 ' HG3' ' OE2' ' A' ' 507' ' ' GLU . 0.0 OUTLIER -52.26 -61.54 2.21 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 106.401 -1.703 . . . . 102.77 106.401 177.556 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' VAL . . . . . . . . . . . . . 78.2 t -53.21 -52.95 25.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 114.2 1.185 . . . . 70.98 114.2 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -61.66 -43.56 98.62 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.827 0.677 . . . . 93.88 112.827 -179.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -65.77 -53.68 37.14 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.777 -0.369 . . . . 52.09 111.609 179.464 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.63 ' OE2' ' HG3' ' A' ' 503' ' ' GLN . 34.8 mt-10 -53.54 -26.23 20.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 137.01 111.795 179.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 -41.91 15.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.352 0.596 . . . . 137.92 110.103 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -63.35 -27.81 69.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.192 -0.67 . . . . 76.8 109.192 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -77.62 -24.01 49.69 Favored 'General case' 0 N--CA 1.442 -0.857 0 C-N-CA 120.116 -0.634 . . . . 90.81 111.228 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -68.99 -32.0 71.25 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.473 -0.491 . . . . 136.83 110.292 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -83.08 -24.09 32.84 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 119.648 -0.821 . . . . 105.04 111.308 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.69 -43.19 66.4 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 105.09 -2.189 . . . . 57.24 105.09 177.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.46 -49.69 69.47 Favored 'General case' 0 C--O 1.224 -0.258 0 N-CA-C 108.453 -0.943 . . . . 105.93 108.453 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -53.34 46.81 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.551 -0.46 . . . . 114.02 111.857 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' SER . . . . . 0.577 ' HA ' ' NH1' ' A' ' 519' ' ' ARG . 54.5 m -53.0 -44.37 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.055 0.455 . . . . 90.25 110.713 -179.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -47.36 84.76 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.289 -0.634 . . . . 59.3 109.289 179.552 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -58.08 -27.47 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 156.95 111.779 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' ARG . . . . . 0.577 ' NH1' ' HA ' ' A' ' 516' ' ' SER . 21.5 mtt85 -83.98 -59.0 2.55 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.805 -0.358 . . . . 137.07 111.324 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' ILE . . . . . . . . . . . . . 11.3 tt -51.94 -18.31 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-O 120.704 0.288 . . . . 66.72 111.378 -178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' SER . . . . . . . . . . . . . 46.2 t -89.44 -50.96 5.8 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 107.662 -1.236 . . . . 81.59 107.662 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -53.29 -43.54 67.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.263 -0.881 . . . . 156.64 108.935 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 526' ' ' ARG . 99.3 mm-40 -69.92 -41.35 74.77 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.85 0.357 . . . . 165.02 110.976 -179.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -63.85 -29.44 74.79 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.319 -0.943 . . . . 92.74 115.324 -179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -80.96 -22.35 39.63 Favored 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 120.099 -0.641 . . . . 145.83 111.478 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' A' ' 530' ' ' GLU . 7.2 ptp180 -85.67 -29.04 24.31 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.142 -0.688 . . . . 145.75 109.142 179.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -68.71 -36.05 77.95 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.498 -0.927 . . . . 123.07 108.498 178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' THR . . . . . . . . . . . . . 17.1 m -61.81 -34.15 75.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.612 -0.884 . . . . 79.69 108.612 178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 530' ' ' GLU . 19.1 mm-40 -71.19 -61.41 1.78 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.538 -0.301 . . . . 104.47 111.693 179.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' GLU . . . . . 0.605 ' O ' HG23 ' A' ' 534' ' ' VAL . 51.7 mt-10 -41.42 -47.49 3.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.269 -0.641 . . . . 129.32 109.269 179.739 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -56.41 -54.17 48.78 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 116.275 -0.421 . . . . 78.34 110.91 -179.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 55.2 mt -54.46 -35.17 62.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.583 -0.447 . . . . 64.12 110.645 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -76.47 -26.38 55.32 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 120.901 0.381 . . . . 120.45 110.76 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 530' ' ' GLU . 91.7 t -75.41 -43.35 42.72 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 N-CA-C 108.197 -1.038 . . . . 63.07 108.197 178.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' LEU . . . . . 0.539 HD22 ' O ' ' A' ' 590' ' ' HOH . 6.4 tt -64.32 -40.71 96.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.299 -0.864 . . . . 84.19 111.553 179.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' GLU . . . . . 0.474 ' HA ' ' OE1' ' A' ' 536' ' ' GLU . 28.0 tp10 -65.73 -50.87 63.24 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.318 -0.623 . . . . 97.0 109.318 179.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.1 t -57.2 -45.16 84.01 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 115.899 -0.591 . . . . 64.5 111.107 179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' LEU . . . . . . . . . . . . . 6.4 tp -52.53 -48.79 65.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.883 -0.598 . . . . 62.74 110.457 179.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.429 ' HE3' HD21 ' A' ' 535' ' ' LEU . 94.9 mttt -60.26 -48.2 82.75 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.723 -0.843 . . . . 81.94 108.723 178.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 540' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -52.89 -49.22 66.32 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.841 -0.618 . . . . 109.82 110.621 178.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 541' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -59.57 -49.7 76.75 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.49 -0.323 . . . . 118.52 111.762 -179.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 542' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.08 -45.65 90.29 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.63 -0.259 . . . . 61.37 111.269 179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 543' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.14 90.27 Favored 'General case' 0 CA--C 1.508 -0.64 0 O-C-N 123.383 0.427 . . . . 63.36 110.68 -179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 77.3 m -64.15 -50.19 69.18 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 119.832 -0.747 . . . . 67.03 109.833 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 545' ' ' SER . . . . . . . . . . . . . 9.5 t -52.81 -39.44 62.41 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.233 -0.44 . . . . 60.98 110.082 -179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 546' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.88 -50.54 70.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.591 -0.444 . . . . 106.39 110.495 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 547' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -55.75 -47.32 77.17 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.582 -0.525 . . . . 112.01 109.582 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -59.82 -46.94 87.68 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.805 0.298 . . . . 98.03 111.805 178.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 549' ' ' LEU . . . . . . . . . . . . . 6.4 mt -58.0 -38.2 75.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 120.56 -0.456 . . . . 69.01 111.282 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 550' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -67.67 -35.28 78.56 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 120.17 -0.612 . . . . 126.47 110.665 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 551' ' ' VAL . . . . . . . . . . . . . 69.6 t -68.91 -41.11 81.85 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.502 0 C-N-CA 119.756 -0.777 . . . . 77.59 110.429 179.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 552' ' ' LEU . . . . . . . . . . . . . 7.2 mt -65.48 -38.51 89.98 Favored 'General case' 0 C--O 1.239 0.525 0 C-N-CA 119.071 -1.052 . . . . 55.06 111.346 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 553' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -55.4 -34.57 64.5 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.769 -0.826 . . . . 155.62 108.769 178.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 554' ' ' GLY . . . . . . . . . . . . . . . -75.11 -41.53 31.63 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 120.778 -0.725 . . . . 54.27 112.122 178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 555' ' ' SER . . . . . . . . . . . . . 70.0 m -61.75 -39.54 91.97 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 122.008 -0.701 . . . . 72.33 109.463 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 556' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -46.56 86.29 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 107.489 -1.3 . . . . 65.12 107.489 177.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 557' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -51.53 -51.81 52.14 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.416 0.686 . . . . 170.02 111.214 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 558' ' ' THR . . . . . . . . . . . . . 13.5 m -66.4 -51.94 51.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.741 0.305 . . . . 62.92 111.244 179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 559' ' ' SER . . . . . . . . . . . . . 16.4 t -51.71 -48.01 63.74 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.634 -1.247 . . . . 65.9 107.634 179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 560' ' ' ALA . . . . . . . . . . . . . . . -52.8 -53.17 52.16 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 120.395 -0.522 . . . . 60.66 110.405 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 561' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 561' ' ' GLN . 6.0 tp-100 -55.27 -34.4 64.03 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.959 -0.564 . . . . 95.1 110.188 178.771 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 562' ' ' SER . . . . . . . . . . . . . 25.4 t -68.68 -43.76 75.43 Favored 'General case' 0 CA--C 1.511 -0.54 0 C-N-CA 120.353 -0.539 . . . . 60.05 112.135 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 563' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -59.2 -36.56 75.59 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 119.893 -0.723 . . . . 59.23 109.264 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 564' ' ' ALA . . . . . . . . . . . . . . . -56.9 -54.62 44.45 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 109.562 -0.532 . . . . 50.25 109.562 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 565' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -53.46 -46.86 70.06 Favored 'General case' 0 C--O 1.242 0.664 0 C-N-CA 120.262 -0.575 . . . . 76.82 111.857 179.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 566' ' ' TRP . . . . . . . . . . . . . 45.7 m95 -50.98 -49.67 59.82 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.056 -1.058 . . . . 59.33 111.277 179.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 567' ' ' ALA . . . . . . . . . . . . . . . -55.0 -53.49 55.1 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.21 -0.45 . . . . 62.21 109.95 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 568' ' ' ALA . . . . . . . . . . . . . . . -58.38 -46.64 85.96 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.957 -0.386 . . . . 46.1 109.957 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 569' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.1 -48.66 75.73 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 108.604 -0.887 . . . . 61.58 108.604 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 570' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.68 -37.8 82.81 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 121.695 0.759 . . . . 61.32 110.39 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 571' ' ' ALA . . . . . . . . . . . . . . . -56.81 -48.33 78.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.314 -0.857 . . . . 53.04 111.104 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 572' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.01 -44.53 91.71 Favored 'General case' 0 C--O 1.249 1.067 0 N-CA-C 112.65 0.611 . . . . 113.13 112.65 -179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 573' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.98 -44.25 97.13 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 107.829 -1.175 . . . . 62.51 107.829 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 574' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -57.49 -50.22 73.76 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.194 -0.457 . . . . 67.99 110.273 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 575' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -51.88 -47.67 64.41 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 109.618 -0.512 . . . . 91.01 109.618 178.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -62.05 -51.96 65.86 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.241 -0.287 . . . . 75.88 111.692 178.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 577' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.52 -43.78 65.32 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 123.459 0.474 . . . . 83.54 109.907 179.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 578' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -64.92 -37.85 89.0 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.916 -0.314 . . . . 77.48 110.962 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 75.5 m -61.5 -42.04 98.2 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 122.642 0.377 . . . . 66.41 111.274 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 580' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -73.62 -28.09 61.61 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 113.641 0.978 . . . . 71.89 113.641 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 581' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 C--O 1.254 1.331 0 C-N-CA 119.283 -0.967 . . . . 74.62 110.669 -179.619 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 587' ' ' HOH . . . . . 0.436 ' O ' ' NH1' ' A' ' 487' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 588' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 589' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 590' ' ' HOH . . . . . 0.539 ' O ' HD22 ' A' ' 535' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 591' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 592' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 593' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 594' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 595' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 596' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 597' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 598' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 599' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 600' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_