data_4jnv_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 4jnv _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 ' 451' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 451' ' ' SER . 10.8 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.841 0.353 . . . . 62.31 111.44 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 452' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -102.15 140.6 36.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.403 -0.592 . . . . 35.21 109.403 174.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 453' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' C' ' 453' ' ' TYR . 97.8 m-85 -134.69 160.67 37.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.193 1.183 . . . . 39.95 114.193 -173.444 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 454' ' ' ILE . . . . . 0.474 ' CD1' HG23 ' C' ' 454' ' ' ILE . 0.7 OUTLIER -128.91 153.44 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 CA-C-N 116.429 -0.35 . . . . 44.09 110.108 164.586 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 455' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -47.71 124.46 7.23 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.742 0.782 . . . . 58.44 111.043 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -56.51 -33.31 65.91 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 113.238 0.829 . . . . 22.63 113.238 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -56.19 -30.95 62.98 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-O 122.842 1.306 . . . . 53.42 112.518 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.83 -29.44 66.71 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.47 -0.786 . . . . 24.79 110.404 -177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 459' ' ' LEU . . . . . 0.507 HD21 HD23 ' C' ' 458' ' ' LEU . 0.9 OUTLIER -76.3 -31.16 58.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.106 0.479 . . . . 75.25 110.56 178.365 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 460' ' ' ARG . . . . . 0.539 ' HD2' ' N ' ' A' ' 461' ' ' GLU . 0.0 OUTLIER -64.86 -40.4 95.08 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 119.82 -0.752 . . . . 73.22 110.517 174.005 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 461' ' ' GLU . . . . . 0.539 ' N ' ' HD2' ' A' ' 460' ' ' ARG . 8.5 tt0 -61.51 -46.23 90.85 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 122.154 0.978 . . . . 45.7 110.133 -177.763 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 97.8 mt -53.91 -49.99 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.36 -0.836 . . . . 42.42 109.356 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -57.73 -40.01 78.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.421 . . . . 65.2 111.999 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.72 -40.97 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.279 -0.568 . . . . 99.42 111.628 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -63.7 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.865 0.364 . . . . 31.35 110.231 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 466' ' ' LEU . . . . . 0.496 HD22 HD23 ' D' ' 476' ' ' LEU . 96.2 mt -66.28 -30.66 71.13 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 120.077 -0.649 . . . . 44.58 111.042 178.559 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -73.79 -37.29 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.22 -0.592 . . . . 71.2 109.891 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 468' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.59 -45.58 89.72 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.935 -0.575 . . . . 86.09 110.119 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 469' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -55.41 -46.57 76.63 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.855 0.359 . . . . 47.62 110.381 175.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -49.78 73.52 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 112.736 0.643 . . . . 106.28 112.736 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -54.28 -46.83 72.8 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.707 0.632 . . . . 75.0 112.707 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . -66.77 -32.86 82.47 Favored Glycine 0 C--O 1.235 0.192 0 C-N-CA 120.009 -1.091 . . . . 46.66 111.895 -179.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.85 -39.87 66.18 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.322 -0.621 . . . . 66.46 109.322 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -67.52 -21.51 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.534 . . . . 70.92 110.132 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 475' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -72.97 -53.6 10.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 97.32 111.116 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 476' ' ' LEU . . . . . 0.708 HD11 ' HB3' ' B' ' 465' ' ' HIS . 5.9 mp -49.01 -54.46 15.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 120.344 -0.542 . . . . 78.54 110.039 175.351 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 477' ' ' ILE . . . . . 0.61 ' O ' ' NZ ' ' D' ' 463' ' ' LYS . 96.7 mt -52.27 -41.97 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.637 -0.711 . . . . 98.18 109.147 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 12.9 t -71.97 -22.77 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.575 0.583 . . . . 103.63 112.575 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 479' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 479' ' ' ILE . 9.9 mt -80.32 -3.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.132 0.491 . . . . 72.29 112.223 179.964 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 480' ' ' ILE . . . . . 0.56 HG21 ' HG2' ' D' ' 460' ' ' ARG . 1.5 mm -96.6 -45.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.195 -1.039 . . . . 103.45 108.195 171.558 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 481' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 480' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.944 -0.571 . . . . 114.74 111.717 175.269 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 112.155 0.428 . . . . 90.37 112.155 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 458' ' ' LEU . . . . . . . . . . . . . 56.3 tp -86.42 -48.77 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 100.54 111.849 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 459' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.72 -37.28 73.51 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.2 0.444 . . . . 102.96 112.2 176.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -48.04 63.19 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.877 -0.786 . . . . 119.23 108.877 173.206 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 461' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.09 -53.16 59.32 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.493 -0.483 . . . . 75.55 112.097 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 462' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.42 -51.35 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.284 0.564 . . . . 52.43 110.189 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 463' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -56.65 -43.31 80.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.88 -0.6 . . . . 81.6 112.013 -178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 464' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.24 98.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 91.34 112.146 177.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 465' ' ' HIS . . . . . 0.708 ' HB3' HD11 ' A' ' 476' ' ' LEU . 26.0 m170 -67.52 -37.17 82.38 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 119.462 -0.895 . . . . 69.85 111.252 179.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 466' ' ' LEU . . . . . 0.486 ' HG ' HD21 ' A' ' 476' ' ' LEU . 36.2 mt -64.97 -41.66 95.26 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.206 0.527 . . . . 46.22 111.171 179.364 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 467' ' ' LYS . . . . . 0.492 ' HG2' ' N ' ' B' ' 468' ' ' GLN . 7.1 pttt -59.67 -40.78 88.92 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.433 -0.349 . . . . 72.28 110.421 176.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 468' ' ' GLN . . . . . 0.492 ' N ' ' HG2' ' B' ' 467' ' ' LYS . 80.4 mt-30 -65.19 -47.06 78.26 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.91 0.386 . . . . 64.29 110.556 178.661 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 469' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 59.98 111.185 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.11 80.21 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.686 0.279 . . . . 64.75 111.465 -178.413 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 471' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.99 -46.8 87.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.654 -0.248 . . . . 38.64 111.378 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 472' ' ' GLY . . . . . . . . . . . . . . . -62.43 -37.57 94.87 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 122.182 0.879 . . . . 14.95 111.059 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 473' ' ' LEU . . . . . 0.412 HD13 HD22 ' C' ' 466' ' ' LEU . 9.2 tp -68.51 -44.39 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.216 -0.492 . . . . 38.72 111.386 -179.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 474' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 -39.11 89.55 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.103 0.477 . . . . 25.18 111.411 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 475' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -61.42 -45.52 93.98 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 109.472 -0.566 . . . . 19.99 109.472 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 42.2 tp -64.82 -38.81 92.23 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-O 121.556 0.694 . . . . 21.25 111.173 -178.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 477' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.85 -39.83 86.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-N 115.773 -0.648 . . . . 26.4 110.978 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 478' ' ' SER . . . . . . . . . . . . . 58.3 m -65.19 -38.13 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.778 1.029 . . . . 28.26 113.778 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 479' ' ' ILE . . . . . . . . . . . . . 60.1 mt -60.22 -43.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 122.998 0.519 . . . . 17.12 110.864 173.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 480' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.85 -43.74 89.42 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 C-N-CA 120.959 -0.296 . . . . 28.92 110.698 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 481' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.19 -35.9 78.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.969 -0.56 . . . . 70.88 110.683 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 482' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.73 -41.92 74.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.746 0.248 . . . . 23.42 110.977 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 483' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -57.18 -34.68 68.73 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.594 0.591 . . . . 18.2 112.594 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 484' ' ' MSE . . . . . . . . . . . . . 40.7 mtt -69.83 -1.85 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.826 0.704 . . . . 31.62 112.648 -175.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 485' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -111.76 14.15 21.09 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.151 -0.619 . . . . 45.51 112.123 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 486' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -125.57 40.38 3.75 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.948 -0.39 . . . . 44.12 109.948 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 487' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.87 150.36 5.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 106.892 -1.521 . . . . 48.34 106.892 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 488' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -126.15 141.75 51.81 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 119.6 -0.84 . . . . 80.85 109.58 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 489' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.46 137.19 34.86 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 108.366 -0.976 . . . . 92.08 108.366 178.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 490' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.601 1.188 . . . . 61.17 108.505 177.797 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 451' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.307 0.575 . . . . 85.4 110.443 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 452' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' D' ' 489' ' ' LEU . 96.7 m-85 -111.34 136.91 49.79 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 120.408 -0.517 . . . . 29.71 110.209 -172.175 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 453' ' ' TYR . . . . . 0.422 ' HB3' ' HB3' ' A' ' 453' ' ' TYR . 76.2 m-85 -130.98 147.68 52.64 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 111.998 0.369 . . . . 56.33 111.998 -169.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 454' ' ' ILE . . . . . 0.583 HD12 ' O ' ' D' ' 502' ' ' HOH . 8.7 tp -126.37 152.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 119.201 -0.428 . . . . 62.2 110.86 169.376 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 455' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -50.55 127.03 16.83 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 124.782 1.233 . . . . 55.87 110.096 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 456' ' ' ALA . . . . . . . . . . . . . . . -75.83 -16.89 60.01 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.499 -0.773 . . . . 32.33 112.025 -171.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 457' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -55.33 -25.73 36.5 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.703 -0.399 . . . . 82.05 111.984 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 458' ' ' LEU . . . . . 0.507 HD23 HD21 ' A' ' 459' ' ' LEU . 24.2 tp -66.36 -28.14 68.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.691 0.626 . . . . 66.98 112.691 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 459' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.47 -41.31 97.06 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.774 0.797 . . . . 41.75 110.143 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 460' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -55.45 -51.46 66.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.88 . . . . 115.65 110.897 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 461' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -63.04 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 82.25 110.59 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 462' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.55 -45.08 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.592 -0.731 . . . . 40.07 111.645 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 463' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -48.13 80.44 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.428 -0.582 . . . . 87.74 109.428 -178.173 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 464' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.422 -0.354 . . . . 61.75 111.558 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 465' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -67.91 -41.03 83.29 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.332 0.493 . . . . 105.8 112.332 -176.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 466' ' ' LEU . . . . . 0.412 HD22 HD13 ' B' ' 473' ' ' LEU . 45.5 mt -63.35 -33.67 76.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 46.91 110.503 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 467' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.49 -41.95 91.01 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.384 -0.371 . . . . 84.58 111.175 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 468' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -53.86 17.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.991 -0.55 . . . . 92.18 110.85 177.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 469' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.78 -27.4 28.71 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.196 -0.668 . . . . 67.54 109.196 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -75.05 -45.67 39.99 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.986 -0.552 . . . . 83.84 110.506 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 471' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.35 -38.42 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.636 -0.426 . . . . 91.75 110.936 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 472' ' ' GLY . . . . . . . . . . . . . . . -58.98 -44.83 95.93 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 114.039 0.376 . . . . 46.9 114.039 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 473' ' ' LEU . . . . . 0.441 ' O ' HG23 ' C' ' 477' ' ' ILE . 45.9 mt -65.72 -42.63 90.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 122.737 -0.272 . . . . 63.33 110.31 -179.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 474' ' ' SER . . . . . . . . . . . . . 27.7 t -62.18 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.581 -0.448 . . . . 81.21 110.333 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 475' ' ' HIS . . . . . 0.469 ' NE2' HD11 ' C' ' 479' ' ' ILE . 3.1 t-160 -66.82 -43.15 84.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.215 -1.032 . . . . 88.91 108.215 178.608 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 476' ' ' LEU . . . . . 0.513 HD11 HG23 ' D' ' 462' ' ' ILE . 12.0 tp -59.93 -43.97 94.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 77.96 111.94 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 477' ' ' ILE . . . . . 0.441 HG23 ' O ' ' C' ' 473' ' ' LEU . 4.0 pt -76.56 -33.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 118.862 -1.135 . . . . 83.37 111.013 -179.124 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 478' ' ' SER . . . . . . . . . . . . . 24.1 t -63.87 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.444 -0.576 . . . . 88.02 109.444 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 479' ' ' ILE . . . . . 0.469 HD11 ' NE2' ' C' ' 475' ' ' HIS . 18.1 mt -58.88 -60.54 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 78.35 111.258 175.898 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 480' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.29 -27.13 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.694 -0.403 . . . . 102.62 110.105 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 481' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -68.06 -23.94 65.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.587 -0.523 . . . . 111.23 109.587 174.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 482' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.557 . . . . 124.78 110.916 177.131 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 460' ' ' ARG . . . . . 0.56 ' HG2' HG21 ' A' ' 480' ' ' ILE . 10.9 mtp180 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.297 0.57 . . . . 139.9 111.121 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 461' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.63 -21.37 66.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.855 -1.535 . . . . 119.49 106.855 168.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 462' ' ' ILE . . . . . 0.513 HG23 HD11 ' C' ' 476' ' ' LEU . 8.7 mt -64.99 -57.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.417 -0.81 . . . . 86.26 110.763 171.961 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 463' ' ' LYS . . . . . 0.61 ' NZ ' ' O ' ' A' ' 477' ' ' ILE . 0.2 OUTLIER -46.17 -52.45 12.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.276 -0.639 . . . . 108.68 109.276 173.546 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -12.26 60.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.38 -0.528 . . . . 94.22 110.801 -178.122 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 465' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -29.76 45.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.102 -0.703 . . . . 110.35 109.102 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 466' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.04 -40.81 62.6 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.015 0.436 . . . . 78.0 110.182 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 467' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -55.58 -40.34 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 107.84 109.482 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 468' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -56.7 -43.29 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 99.18 110.469 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 469' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -74.73 -37.61 62.48 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.253 0.464 . . . . 86.75 112.253 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.09 -31.68 72.7 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.973 -0.691 . . . . 80.58 109.756 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 471' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -72.31 -31.92 66.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.817 -0.808 . . . . 107.63 108.817 175.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 472' ' ' GLY . . . . . . . . . . . . . . . -55.55 -51.33 55.43 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.66 -0.976 . . . . 62.07 110.66 173.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 473' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.67 -36.05 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 63.18 110.456 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 474' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -47.14 85.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 78.13 110.609 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 475' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -56.45 -59.28 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.556 -1.276 . . . . 122.49 107.556 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 476' ' ' LEU . . . . . 0.496 HD23 HD22 ' A' ' 466' ' ' LEU . 7.5 tp -38.63 -53.97 1.58 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.107 -0.951 . . . . 92.95 110.298 177.521 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 477' ' ' ILE . . . . . . . . . . . . . 10.0 mt -67.76 -42.11 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 60.24 111.194 -174.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 478' ' ' SER . . . . . . . . . . . . . 58.1 m -58.68 -45.12 90.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 71.11 112.129 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 479' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.08 -37.48 79.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 84.8 110.674 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 480' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.59 -46.92 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 119.929 -0.708 . . . . 40.19 109.219 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 481' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' D' ' 485' ' ' GLU . 82.4 mttt -54.62 -40.65 69.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.494 0.553 . . . . 89.74 112.494 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 482' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' D' ' 483' ' ' ASP . 13.3 p30 -67.75 -37.93 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.38 -0.528 . . . . 84.19 110.315 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 483' ' ' ASP . . . . . 0.723 ' N ' ' OD1' ' D' ' 482' ' ' ASP . 7.7 m-20 -70.26 -30.57 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.193 -0.603 . . . . 58.95 111.347 179.033 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 484' ' ' MSE . . . . . . . . . . . . . 12.3 mtm -77.79 5.72 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.407 -0.917 . . . . 102.87 112.79 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 485' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' D' ' 481' ' ' LYS . 48.3 mt-10 -100.79 9.2 42.67 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.512 -0.922 . . . . 74.41 108.512 171.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 486' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -134.43 43.38 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.779 -0.646 . . . . 62.29 110.399 -174.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 487' ' ' ILE . . . . . 0.466 HD13 HD13 ' C' ' 454' ' ' ILE . 10.9 mm -82.6 147.94 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 108.877 -0.786 . . . . 34.89 108.877 -175.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.87 135.62 53.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 70.79 108.809 179.28 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 489' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' C' ' 452' ' ' TYR . 27.5 tp -104.9 126.02 51.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.167 -1.049 . . . . 28.03 108.167 179.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 490' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 108.868 -0.79 . . . . 72.06 108.868 168.926 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 502' ' ' HOH . . . . . 0.583 ' O ' HD12 ' C' ' 454' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 451' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 451' ' ' SER . 10.8 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.841 0.353 . . . . 60.850000000000001 111.44 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 452' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -102.15 140.6 36.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.403 -0.592 . . . . 29.34 109.403 174.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 453' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' C' ' 453' ' ' TYR . 97.8 m-85 -134.69 160.67 37.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.193 1.183 . . . . 33.289999999999999 114.193 -173.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 454' ' ' ILE . . . . . 0.485 ' CD1' HG23 ' C' ' 454' ' ' ILE . 0.7 OUTLIER -128.91 153.44 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 CA-C-N 116.429 -0.35 . . . . 36.740000000000002 110.108 164.586 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 455' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -47.71 124.46 7.23 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.742 0.782 . . . . 58.439999999999998 111.043 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -56.51 -33.31 65.91 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 113.238 0.829 . . . . 18.859999999999999 113.238 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -56.19 -30.95 62.98 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-O 122.842 1.306 . . . . 53.420000000000002 112.518 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.83 -29.44 66.71 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.47 -0.786 . . . . 24.789999999999999 110.404 -177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 459' ' ' LEU . . . . . 0.524 HD21 HD23 ' C' ' 458' ' ' LEU . 0.9 OUTLIER -76.3 -31.16 58.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.106 0.479 . . . . 62.710000000000001 110.56 178.365 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 460' ' ' ARG . . . . . 0.558 ' HD2' ' N ' ' A' ' 461' ' ' GLU . 0.0 OUTLIER -64.86 -40.4 95.08 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 119.82 -0.752 . . . . 61.020000000000003 110.517 174.005 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 461' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' A' ' 460' ' ' ARG . 8.5 tt0 -61.51 -46.23 90.85 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 122.154 0.978 . . . . 45.700000000000003 110.133 -177.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 97.8 mt -53.91 -49.99 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.36 -0.836 . . . . 35.350000000000001 109.356 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -57.73 -40.01 78.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.421 . . . . 54.340000000000003 111.999 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.72 -40.97 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.279 -0.568 . . . . 82.849999999999994 111.628 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -63.7 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.865 0.364 . . . . 26.129999999999999 110.231 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 466' ' ' LEU . . . . . 0.515 HD22 HD23 ' D' ' 476' ' ' LEU . 96.2 mt -66.28 -30.66 71.13 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 120.077 -0.649 . . . . 37.149999999999999 111.042 178.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -73.79 -37.29 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.22 -0.592 . . . . 59.329999999999998 109.891 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 468' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.59 -45.58 89.72 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.935 -0.575 . . . . 71.739999999999995 110.119 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 469' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -55.41 -46.57 76.63 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.855 0.359 . . . . 39.68 110.381 175.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -49.78 73.52 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 112.736 0.643 . . . . 88.569999999999993 112.736 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -54.28 -46.83 72.8 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.707 0.632 . . . . 70.439999999999998 112.707 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . -66.77 -32.86 82.47 Favored Glycine 0 C--O 1.235 0.192 0 C-N-CA 120.009 -1.091 . . . . 46.659999999999997 111.895 -179.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.85 -39.87 66.18 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.322 -0.621 . . . . 55.380000000000003 109.322 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -67.52 -21.51 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.534 . . . . 59.100000000000001 110.132 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 475' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -72.97 -53.6 10.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 81.099999999999994 111.116 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 476' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' B' ' 465' ' ' HIS . 5.9 mp -49.01 -54.46 15.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 120.344 -0.542 . . . . 66.900000000000006 110.039 175.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 477' ' ' ILE . . . . . 0.61 ' O ' ' NZ ' ' D' ' 463' ' ' LYS . 96.7 mt -52.27 -41.97 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.637 -0.711 . . . . 81.810000000000002 109.147 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 12.9 t -71.97 -22.77 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.575 0.583 . . . . 86.349999999999994 112.575 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 479' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 479' ' ' ILE . 9.9 mt -80.32 -3.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.132 0.491 . . . . 68.090000000000003 112.223 179.964 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 480' ' ' ILE . . . . . 0.567 HG21 ' HG2' ' D' ' 460' ' ' ARG . 1.5 mm -96.6 -45.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.195 -1.039 . . . . 86.209999999999994 108.195 171.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 481' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 480' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.944 -0.571 . . . . 114.73999999999999 111.717 175.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 112.155 0.428 . . . . 90.370000000000005 112.155 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 458' ' ' LEU . . . . . . . . . . . . . 56.3 tp -86.42 -48.77 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 83.780000000000001 111.849 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 459' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.72 -37.28 73.51 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.2 0.444 . . . . 85.799999999999997 112.2 176.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -48.04 63.19 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.877 -0.786 . . . . 99.359999999999999 108.877 173.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 461' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.09 -53.16 59.32 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.493 -0.483 . . . . 75.549999999999997 112.097 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 462' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.42 -51.35 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.284 0.564 . . . . 43.689999999999998 110.189 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 463' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -56.65 -43.31 80.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.88 -0.6 . . . . 68.0 112.013 -178.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 464' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -61.66 -42.24 98.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 78.859999999999999 112.146 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 465' ' ' HIS . . . . . 0.742 ' HB3' HD11 ' A' ' 476' ' ' LEU . 22.9 m-70 -67.52 -37.17 82.38 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 119.462 -0.895 . . . . 58.210000000000001 111.252 179.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 466' ' ' LEU . . . . . 0.481 ' HG ' HD21 ' A' ' 476' ' ' LEU . 36.2 mt -64.97 -41.66 95.26 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.206 0.527 . . . . 38.520000000000003 111.171 179.364 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 467' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' B' ' 468' ' ' GLN . 7.1 pttt -59.67 -40.78 88.92 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.433 -0.349 . . . . 60.229999999999997 110.421 176.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 468' ' ' GLN . . . . . 0.508 ' N ' ' HG2' ' B' ' 467' ' ' LYS . 20.2 mt-30 -65.19 -47.06 78.26 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.91 0.386 . . . . 58.359999999999999 110.556 178.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 469' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 49.979999999999997 111.185 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.11 80.21 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.686 0.279 . . . . 64.75 111.465 -178.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 471' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.99 -46.8 87.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.654 -0.248 . . . . 38.640000000000001 111.378 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 472' ' ' GLY . . . . . . . . . . . . . . . -62.43 -37.57 94.87 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 122.182 0.879 . . . . 12.699999999999999 111.059 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 473' ' ' LEU . . . . . 0.43 HD11 HD22 ' C' ' 466' ' ' LEU . 9.2 tp -68.51 -44.39 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.216 -0.492 . . . . 32.270000000000003 111.386 -179.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 474' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 -39.11 89.55 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.103 0.477 . . . . 20.98 111.411 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 475' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -61.42 -45.52 93.98 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 109.472 -0.566 . . . . 16.66 109.472 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 42.2 tp -64.82 -38.81 92.23 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-O 121.556 0.694 . . . . 17.710000000000001 111.173 -178.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 477' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.85 -39.83 86.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-N 115.773 -0.648 . . . . 22.0 110.978 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 478' ' ' SER . . . . . . . . . . . . . 58.3 m -65.19 -38.13 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.778 1.029 . . . . 23.550000000000001 113.778 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 479' ' ' ILE . . . . . . . . . . . . . 60.1 mt -60.22 -43.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 122.998 0.519 . . . . 14.26 110.864 173.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 480' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.85 -43.74 89.42 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 C-N-CA 120.959 -0.296 . . . . 24.100000000000001 110.698 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 481' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.19 -35.9 78.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.969 -0.56 . . . . 59.07 110.683 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 482' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.73 -41.92 74.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.746 0.248 . . . . 23.420000000000002 110.977 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 483' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -57.18 -34.68 68.73 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.594 0.591 . . . . 15.960000000000001 112.594 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 484' ' ' MSE . . . . . . . . . . . . . 40.7 mtt -69.83 -1.85 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.826 0.704 . . . . 26.350000000000001 112.648 -175.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 485' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -111.76 14.15 21.09 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.151 -0.619 . . . . 45.509999999999998 112.123 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 486' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -125.57 40.38 3.75 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.948 -0.39 . . . . 44.119999999999997 109.948 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 487' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.87 150.36 5.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 106.892 -1.521 . . . . 40.280000000000001 106.892 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 488' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -126.15 141.75 51.81 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 119.6 -0.84 . . . . 67.379999999999995 109.58 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 489' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.46 137.19 34.86 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 108.366 -0.976 . . . . 76.730000000000004 108.366 178.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 490' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.601 1.188 . . . . 61.170000000000002 108.505 177.797 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 451' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.307 0.575 . . . . 71.159999999999997 110.443 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 452' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' D' ' 489' ' ' LEU . 96.7 m-85 -111.34 136.91 49.79 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 120.408 -0.517 . . . . 24.760000000000002 110.209 -172.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 453' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 453' ' ' TYR . 76.2 m-85 -130.98 147.68 52.64 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 111.998 0.369 . . . . 46.950000000000003 111.998 -169.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 454' ' ' ILE . . . . . 0.593 HD12 ' O ' ' D' ' 502' ' ' HOH . 8.7 tp -126.37 152.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 119.201 -0.428 . . . . 51.829999999999998 110.86 169.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 455' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -50.55 127.03 16.83 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 124.782 1.233 . . . . 55.869999999999997 110.096 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 456' ' ' ALA . . . . . . . . . . . . . . . -75.83 -16.89 60.01 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.499 -0.773 . . . . 26.940000000000001 112.025 -171.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 457' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -55.33 -25.73 36.5 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.703 -0.399 . . . . 82.049999999999997 111.984 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 458' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 459' ' ' LEU . 24.2 tp -66.36 -28.14 68.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.691 0.626 . . . . 55.82 112.691 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 459' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.47 -41.31 97.06 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.774 0.797 . . . . 34.789999999999999 110.143 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 460' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -55.45 -51.46 66.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.88 . . . . 96.379999999999995 110.897 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 461' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -63.04 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 82.25 110.59 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 462' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.55 -45.08 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.592 -0.731 . . . . 33.390000000000001 111.645 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 463' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -48.13 80.44 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.428 -0.582 . . . . 73.109999999999999 109.428 -178.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 464' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.422 -0.354 . . . . 61.030000000000001 111.558 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 465' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -67.91 -41.03 83.29 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.332 0.493 . . . . 88.170000000000002 112.332 -176.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 466' ' ' LEU . . . . . 0.43 HD22 HD11 ' B' ' 473' ' ' LEU . 45.5 mt -63.35 -33.67 76.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 39.090000000000003 110.503 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 467' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.49 -41.95 91.01 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.384 -0.371 . . . . 70.489999999999995 111.175 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 468' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -53.86 17.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.991 -0.55 . . . . 76.810000000000002 110.85 177.986 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 469' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.78 -27.4 28.71 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.196 -0.668 . . . . 62.460000000000001 109.196 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -75.05 -45.67 39.99 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.986 -0.552 . . . . 69.859999999999999 110.506 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 471' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.35 -38.42 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.636 -0.426 . . . . 91.75 110.936 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 472' ' ' GLY . . . . . . . . . . . . . . . -58.98 -44.83 95.93 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 114.039 0.376 . . . . 46.899999999999999 114.039 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 473' ' ' LEU . . . . . 0.45 ' O ' HG23 ' C' ' 477' ' ' ILE . 45.9 mt -65.72 -42.63 90.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 122.737 -0.272 . . . . 52.770000000000003 110.31 -179.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 474' ' ' SER . . . . . . . . . . . . . 27.7 t -62.18 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.581 -0.448 . . . . 67.670000000000002 110.333 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 475' ' ' HIS . . . . . 0.473 ' NE2' HD11 ' C' ' 479' ' ' ILE . 3.1 t-160 -66.82 -43.15 84.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.215 -1.032 . . . . 74.090000000000003 108.215 178.608 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 476' ' ' LEU . . . . . 0.528 HD11 HG23 ' D' ' 462' ' ' ILE . 12.0 tp -59.93 -43.97 94.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 64.969999999999999 111.94 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 477' ' ' ILE . . . . . 0.45 HG23 ' O ' ' C' ' 473' ' ' LEU . 4.0 pt -76.56 -33.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 118.862 -1.135 . . . . 69.469999999999999 111.013 -179.124 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 478' ' ' SER . . . . . 0.415 ' N ' HG13 ' C' ' 477' ' ' ILE . 24.1 t -63.87 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.444 -0.576 . . . . 73.349999999999994 109.444 177.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 479' ' ' ILE . . . . . 0.473 HD11 ' NE2' ' C' ' 475' ' ' HIS . 18.1 mt -58.88 -60.54 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 75.689999999999998 111.258 175.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 480' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.29 -27.13 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.694 -0.403 . . . . 85.519999999999996 110.105 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 481' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -68.06 -23.94 65.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.587 -0.523 . . . . 92.689999999999998 109.587 174.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 482' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.557 . . . . 124.78 110.916 177.131 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 460' ' ' ARG . . . . . 0.567 ' HG2' HG21 ' A' ' 480' ' ' ILE . 10.9 mtp180 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.297 0.57 . . . . 116.58 111.121 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 461' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.63 -21.37 66.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.855 -1.535 . . . . 111.27 106.855 168.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 462' ' ' ILE . . . . . 0.528 HG23 HD11 ' C' ' 476' ' ' LEU . 8.7 mt -64.99 -57.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.417 -0.81 . . . . 71.879999999999995 110.763 171.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 463' ' ' LYS . . . . . 0.61 ' NZ ' ' O ' ' A' ' 477' ' ' ILE . 0.2 OUTLIER -46.17 -52.45 12.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.276 -0.639 . . . . 90.560000000000002 109.276 173.546 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -12.26 60.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.38 -0.528 . . . . 80.0 110.801 -178.122 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 465' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -29.76 45.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.102 -0.703 . . . . 91.959999999999994 109.102 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 466' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.04 -40.81 62.6 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.015 0.436 . . . . 65.0 110.182 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 467' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -55.58 -40.34 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 89.859999999999999 109.482 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 468' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -56.7 -43.29 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 96.040000000000006 110.469 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 469' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -74.73 -37.61 62.48 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.253 0.464 . . . . 72.290000000000006 112.253 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.09 -31.68 72.7 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.973 -0.691 . . . . 68.700000000000003 109.756 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 471' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -72.31 -31.92 66.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.817 -0.808 . . . . 102.31 108.817 175.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 472' ' ' GLY . . . . . . . . . . . . . . . -55.55 -51.33 55.43 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.66 -0.976 . . . . 51.729999999999997 110.66 173.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 473' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.67 -36.05 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 52.649999999999999 110.456 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 474' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -47.14 85.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 65.109999999999999 110.609 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 475' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.45 -59.28 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.556 -1.276 . . . . 102.08 107.556 175.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 476' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 466' ' ' LEU . 7.5 tp -38.63 -53.97 1.58 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.107 -0.951 . . . . 77.459999999999994 110.298 177.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 477' ' ' ILE . . . . . . . . . . . . . 10.0 mt -67.76 -42.11 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 50.200000000000003 111.194 -174.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 478' ' ' SER . . . . . . . . . . . . . 58.1 m -58.68 -45.12 90.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 59.259999999999998 112.129 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 479' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.08 -37.48 79.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 70.670000000000002 110.674 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 480' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.59 -46.92 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 119.929 -0.708 . . . . 37.359999999999999 109.219 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 481' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' D' ' 485' ' ' GLU . 82.4 mttt -54.62 -40.65 69.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.494 0.553 . . . . 74.790000000000006 112.494 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 482' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' D' ' 483' ' ' ASP . 13.3 p30 -67.75 -37.93 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.38 -0.528 . . . . 84.189999999999998 110.315 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 483' ' ' ASP . . . . . 0.723 ' N ' ' OD1' ' D' ' 482' ' ' ASP . 7.7 m-20 -70.26 -30.57 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.193 -0.603 . . . . 58.950000000000003 111.347 179.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 484' ' ' MSE . . . . . . . . . . . . . 12.3 mtm -77.79 5.72 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.407 -0.917 . . . . 102.87 112.79 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 485' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' D' ' 481' ' ' LYS . 48.3 mt-10 -100.79 9.2 42.67 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.512 -0.922 . . . . 74.409999999999997 108.512 171.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 486' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -134.43 43.38 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.779 -0.646 . . . . 62.289999999999999 110.399 -174.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 487' ' ' ILE . . . . . 0.487 HD13 HD13 ' C' ' 454' ' ' ILE . 10.9 mm -82.6 147.94 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 108.877 -0.786 . . . . 29.07 108.877 -175.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.87 135.62 53.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 58.990000000000002 108.809 179.28 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 489' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' C' ' 452' ' ' TYR . 27.5 tp -104.9 126.02 51.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.167 -1.049 . . . . 26.079999999999998 108.167 179.679 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 490' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 108.868 -0.79 . . . . 60.049999999999997 108.868 168.926 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 502' ' ' HOH . . . . . 0.593 ' O ' HD12 ' C' ' 454' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 451' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 451' ' ' SER . 10.8 t . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.841 0.353 . . . . 60.850000000000001 111.44 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 452' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -102.15 140.6 36.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.403 -0.592 . . . . 29.34 109.403 174.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 453' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' C' ' 453' ' ' TYR . 97.8 m-85 -134.69 160.67 37.42 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.193 1.183 . . . . 33.289999999999999 114.193 -173.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 454' ' ' ILE . . . . . 0.485 ' CD1' HG23 ' C' ' 454' ' ' ILE . 0.7 OUTLIER -128.91 153.44 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.807 0 CA-C-N 116.429 -0.35 . . . . 36.740000000000002 110.108 164.586 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 455' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -47.71 124.46 7.23 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 121.742 0.782 . . . . 58.439999999999998 111.043 177.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -56.51 -33.31 65.91 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 113.238 0.829 . . . . 18.859999999999999 113.238 -177.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -56.19 -30.95 62.98 Favored 'General case' 0 C--O 1.257 1.482 0 CA-C-O 122.842 1.306 . . . . 53.420000000000002 112.518 178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 458' ' ' LEU . . . . . . . . . . . . . 91.0 mt -69.83 -29.44 66.71 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.47 -0.786 . . . . 24.789999999999999 110.404 -177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 459' ' ' LEU . . . . . 0.524 HD21 HD23 ' C' ' 458' ' ' LEU . 0.9 OUTLIER -76.3 -31.16 58.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.106 0.479 . . . . 62.710000000000001 110.56 178.365 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.558 ' HD2' ' N ' ' A' ' 461' ' ' GLU . 0.0 OUTLIER -64.86 -40.4 95.08 Favored 'General case' 0 C--O 1.246 0.885 0 C-N-CA 119.82 -0.752 . . . . 61.020000000000003 110.517 174.005 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 461' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' A' ' 460' ' ' ARG . 8.5 tt0 -61.51 -46.23 90.85 Favored 'General case' 0 C--O 1.245 0.844 0 CA-C-O 122.154 0.978 . . . . 45.700000000000003 110.133 -177.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 97.8 mt -53.91 -49.99 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.36 -0.836 . . . . 35.350000000000001 109.356 175.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 463' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -57.73 -40.01 78.64 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.985 0.421 . . . . 54.340000000000003 111.999 -174.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.72 -40.97 92.76 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.279 -0.568 . . . . 82.849999999999994 111.628 177.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -63.7 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 120.865 0.364 . . . . 26.129999999999999 110.231 177.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.515 HD22 HD23 ' D' ' 476' ' ' LEU . 96.2 mt -66.28 -30.66 71.13 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 120.077 -0.649 . . . . 37.149999999999999 111.042 178.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 467' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -73.79 -37.29 64.99 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.22 -0.592 . . . . 59.329999999999998 109.891 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 468' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -63.59 -45.58 89.72 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.935 -0.575 . . . . 71.739999999999995 110.119 175.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 469' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -55.41 -46.57 76.63 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-O 120.855 0.359 . . . . 39.68 110.381 175.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -56.4 -49.78 73.52 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 112.736 0.643 . . . . 88.569999999999993 112.736 177.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 471' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -54.28 -46.83 72.8 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.707 0.632 . . . . 70.439999999999998 112.707 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . -66.77 -32.86 82.47 Favored Glycine 0 C--O 1.235 0.192 0 C-N-CA 120.009 -1.091 . . . . 46.659999999999997 111.895 -179.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.3 tp -72.85 -39.87 66.18 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.322 -0.621 . . . . 55.380000000000003 109.322 -177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -67.52 -21.51 65.48 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.024 -0.534 . . . . 59.100000000000001 110.132 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 475' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -72.97 -53.6 10.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.011 -0.54 . . . . 81.099999999999994 111.116 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 476' ' ' LEU . . . . . 0.742 HD11 ' HB3' ' B' ' 465' ' ' HIS . 5.9 mp -49.01 -54.46 15.62 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 120.344 -0.542 . . . . 66.900000000000006 110.039 175.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.61 ' O ' ' NZ ' ' D' ' 463' ' ' LYS . 96.7 mt -52.27 -41.97 35.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.637 -0.711 . . . . 81.810000000000002 109.147 -179.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 478' ' ' SER . . . . . . . . . . . . . 12.9 t -71.97 -22.77 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.575 0.583 . . . . 86.349999999999994 112.575 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 479' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 479' ' ' ILE . 9.9 mt -80.32 -3.97 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.132 0.491 . . . . 68.090000000000003 112.223 179.964 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 480' ' ' ILE . . . . . 0.567 HG21 ' HG2' ' D' ' 460' ' ' ARG . 1.5 mm -96.6 -45.76 12.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.195 -1.039 . . . . 86.209999999999994 108.195 171.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 480' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.944 -0.571 . . . . 114.73999999999999 111.717 175.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 457' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.222 0 N-CA-C 112.155 0.428 . . . . 90.370000000000005 112.155 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 458' ' ' LEU . . . . . . . . . . . . . 56.3 tp -86.42 -48.77 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.782 0.325 . . . . 83.780000000000001 111.849 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 459' ' ' LEU . . . . . . . . . . . . . 94.9 mt -70.72 -37.28 73.51 Favored 'General case' 0 CA--C 1.516 -0.342 0 N-CA-C 112.2 0.444 . . . . 85.799999999999997 112.2 176.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 460' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -48.04 63.19 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.877 -0.786 . . . . 99.359999999999999 108.877 173.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 461' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.09 -53.16 59.32 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.493 -0.483 . . . . 75.549999999999997 112.097 -175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 462' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.42 -51.35 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.284 0.564 . . . . 43.689999999999998 110.189 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 463' ' ' LYS . . . . . . . . . . . . . 13.7 ttpp -56.65 -43.31 80.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.88 -0.6 . . . . 68.0 112.013 -178.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 464' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -42.24 98.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.046 0.451 . . . . 78.859999999999999 112.146 177.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 465' ' ' HIS . . . . . 0.742 ' HB3' HD11 ' A' ' 476' ' ' LEU . 26.0 m170 -67.52 -37.17 82.38 Favored 'General case' 0 C--O 1.245 0.867 0 C-N-CA 119.462 -0.895 . . . . 58.210000000000001 111.252 179.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 466' ' ' LEU . . . . . 0.481 ' HG ' HD21 ' A' ' 476' ' ' LEU . 36.2 mt -64.97 -41.66 95.26 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.206 0.527 . . . . 38.520000000000003 111.171 179.364 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 467' ' ' LYS . . . . . 0.508 ' HG2' ' N ' ' B' ' 468' ' ' GLN . 7.1 pttt -59.67 -40.78 88.92 Favored 'General case' 0 C--O 1.244 0.764 0 CA-C-N 116.433 -0.349 . . . . 60.229999999999997 110.421 176.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 468' ' ' GLN . . . . . 0.508 ' N ' ' HG2' ' B' ' 467' ' ' LYS . 80.4 mt-30 -65.19 -47.06 78.26 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.91 0.386 . . . . 58.359999999999999 110.556 178.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 469' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -53.5 -43.34 68.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 49.979999999999997 111.185 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 470' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -36.11 80.21 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-O 120.686 0.279 . . . . 64.75 111.465 -178.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 471' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -61.99 -46.8 87.63 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.654 -0.248 . . . . 38.640000000000001 111.378 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 472' ' ' GLY . . . . . . . . . . . . . . . -62.43 -37.57 94.87 Favored Glycine 0 C--O 1.24 0.47 0 CA-C-O 122.182 0.879 . . . . 12.699999999999999 111.059 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 473' ' ' LEU . . . . . 0.43 HD11 HD22 ' C' ' 466' ' ' LEU . 9.2 tp -68.51 -44.39 74.77 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.216 -0.492 . . . . 32.270000000000003 111.386 -179.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 474' ' ' SER . . . . . . . . . . . . . 46.7 t -61.41 -39.11 89.55 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 121.103 0.477 . . . . 20.98 111.411 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 475' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -61.42 -45.52 93.98 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 109.472 -0.566 . . . . 16.66 109.472 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 476' ' ' LEU . . . . . . . . . . . . . 42.2 tp -64.82 -38.81 92.23 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-O 121.556 0.694 . . . . 17.710000000000001 111.173 -178.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 477' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.85 -39.83 86.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.409 0 CA-C-N 115.773 -0.648 . . . . 22.0 110.978 177.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 478' ' ' SER . . . . . . . . . . . . . 58.3 m -65.19 -38.13 89.51 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.778 1.029 . . . . 23.550000000000001 113.778 174.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 479' ' ' ILE . . . . . . . . . . . . . 60.1 mt -60.22 -43.22 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 C-N-CA 122.998 0.519 . . . . 14.26 110.864 173.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 480' ' ' ILE . . . . . . . . . . . . . 88.0 mt -66.85 -43.74 89.42 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 C-N-CA 120.959 -0.296 . . . . 24.100000000000001 110.698 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 481' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.19 -35.9 78.41 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.969 -0.56 . . . . 59.07 110.683 179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 482' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -69.73 -41.92 74.65 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 117.746 0.248 . . . . 23.420000000000002 110.977 176.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 483' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -57.18 -34.68 68.73 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 112.594 0.591 . . . . 15.960000000000001 112.594 174.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 484' ' ' MSE . . . . . . . . . . . . . 40.7 mtt -69.83 -1.85 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.826 0.704 . . . . 26.350000000000001 112.648 -175.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 485' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -111.76 14.15 21.09 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 120.151 -0.619 . . . . 45.509999999999998 112.123 174.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 486' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -125.57 40.38 3.75 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.948 -0.39 . . . . 44.119999999999997 109.948 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 487' ' ' ILE . . . . . . . . . . . . . 26.4 mm -79.87 150.36 5.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 106.892 -1.521 . . . . 40.280000000000001 106.892 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 488' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -126.15 141.75 51.81 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 119.6 -0.84 . . . . 67.379999999999995 109.58 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 489' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.46 137.19 34.86 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 108.366 -0.976 . . . . 76.730000000000004 108.366 178.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 490' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.601 1.188 . . . . 61.170000000000002 108.505 177.797 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 451' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.307 0.575 . . . . 71.159999999999997 110.443 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 452' ' ' TYR . . . . . 0.406 ' CE1' HD13 ' D' ' 489' ' ' LEU . 96.7 m-85 -111.34 136.91 49.79 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 120.408 -0.517 . . . . 24.760000000000002 110.209 -172.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 453' ' ' TYR . . . . . 0.414 ' HB3' ' HB3' ' A' ' 453' ' ' TYR . 76.2 m-85 -130.98 147.68 52.64 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 111.998 0.369 . . . . 46.950000000000003 111.998 -169.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 454' ' ' ILE . . . . . 0.593 HD12 ' O ' ' D' ' 502' ' ' HOH . 8.7 tp -126.37 152.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 119.201 -0.428 . . . . 51.829999999999998 110.86 169.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 455' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -50.55 127.03 16.83 Favored 'General case' 0 C--O 1.245 0.818 0 C-N-CA 124.782 1.233 . . . . 55.869999999999997 110.096 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 456' ' ' ALA . . . . . . . . . . . . . . . -75.83 -16.89 60.01 Favored 'General case' 0 CA--C 1.507 -0.7 0 CA-C-N 115.499 -0.773 . . . . 26.940000000000001 112.025 -171.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 457' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -55.33 -25.73 36.5 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.703 -0.399 . . . . 82.049999999999997 111.984 -179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 458' ' ' LEU . . . . . 0.524 HD23 HD21 ' A' ' 459' ' ' LEU . 24.2 tp -66.36 -28.14 68.43 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.691 0.626 . . . . 55.82 112.691 -177.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 459' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.47 -41.31 97.06 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-O 121.774 0.797 . . . . 34.789999999999999 110.143 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 460' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -55.45 -51.46 66.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.263 -0.88 . . . . 96.379999999999995 110.897 177.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 461' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -63.04 -48.99 76.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.328 0.585 . . . . 82.25 110.59 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 462' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.55 -45.08 86.1 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.592 -0.731 . . . . 33.390000000000001 111.645 -179.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 463' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.81 -48.13 80.44 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.428 -0.582 . . . . 73.109999999999999 109.428 -178.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 464' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -48.33 -51.78 24.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.422 -0.354 . . . . 61.030000000000001 111.558 -179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 465' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -67.91 -41.03 83.29 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 112.332 0.493 . . . . 88.170000000000002 112.332 -176.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 466' ' ' LEU . . . . . 0.43 HD22 HD11 ' B' ' 473' ' ' LEU . 45.5 mt -63.35 -33.67 76.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 39.090000000000003 110.503 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 467' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -59.49 -41.95 91.01 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.384 -0.371 . . . . 70.489999999999995 111.175 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 468' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.27 -53.86 17.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.991 -0.55 . . . . 76.810000000000002 110.85 177.986 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 469' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -53.78 -27.4 28.71 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.196 -0.668 . . . . 62.460000000000001 109.196 179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 470' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -75.05 -45.67 39.99 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.986 -0.552 . . . . 69.859999999999999 110.506 178.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 471' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -59.35 -38.42 80.35 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.636 -0.426 . . . . 91.75 110.936 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 472' ' ' GLY . . . . . . . . . . . . . . . -58.98 -44.83 95.93 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 114.039 0.376 . . . . 46.899999999999999 114.039 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 473' ' ' LEU . . . . . 0.45 ' O ' HG23 ' C' ' 477' ' ' ILE . 45.9 mt -65.72 -42.63 90.84 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 122.737 -0.272 . . . . 52.770000000000003 110.31 -179.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 474' ' ' SER . . . . . . . . . . . . . 27.7 t -62.18 -39.47 92.8 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.581 -0.448 . . . . 67.670000000000002 110.333 -179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 475' ' ' HIS . . . . . 0.473 ' NE2' HD11 ' C' ' 479' ' ' ILE . 3.1 t-160 -66.82 -43.15 84.55 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.215 -1.032 . . . . 74.090000000000003 108.215 178.608 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 476' ' ' LEU . . . . . 0.528 HD11 HG23 ' D' ' 462' ' ' ILE . 12.0 tp -59.93 -43.97 94.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.425 -0.807 . . . . 64.969999999999999 111.94 -179.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 477' ' ' ILE . . . . . 0.45 HG23 ' O ' ' C' ' 473' ' ' LEU . 4.0 pt -76.56 -33.71 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 118.862 -1.135 . . . . 69.469999999999999 111.013 -179.124 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 478' ' ' SER . . . . . 0.415 ' N ' HG13 ' C' ' 477' ' ' ILE . 24.1 t -63.87 -30.97 72.01 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.444 -0.576 . . . . 73.349999999999994 109.444 177.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 479' ' ' ILE . . . . . 0.473 HD11 ' NE2' ' C' ' 475' ' ' HIS . 18.1 mt -58.88 -60.54 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.083 0.468 . . . . 75.689999999999998 111.258 175.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 480' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.29 -27.13 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.694 -0.403 . . . . 85.519999999999996 110.105 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 481' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -68.06 -23.94 65.01 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.587 -0.523 . . . . 92.689999999999998 109.587 174.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 482' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.976 -0.557 . . . . 124.78 110.916 177.131 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 460' ' ' ARG . . . . . 0.567 ' HG2' HG21 ' A' ' 480' ' ' ILE . 10.9 mtp180 . . . . . 0 CA--C 1.516 -0.351 0 CA-C-O 121.297 0.57 . . . . 116.58 111.121 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 461' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -63.63 -21.37 66.33 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 106.855 -1.535 . . . . 111.27 106.855 168.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 462' ' ' ILE . . . . . 0.528 HG23 HD11 ' C' ' 476' ' ' LEU . 8.7 mt -64.99 -57.01 12.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.417 -0.81 . . . . 71.879999999999995 110.763 171.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 463' ' ' LYS . . . . . 0.61 ' NZ ' ' O ' ' A' ' 477' ' ' ILE . 0.2 OUTLIER -46.17 -52.45 12.27 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.276 -0.639 . . . . 90.560000000000002 109.276 173.546 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 464' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -12.26 60.19 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.38 -0.528 . . . . 80.0 110.801 -178.122 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 465' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.7 -29.76 45.63 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.102 -0.703 . . . . 91.959999999999994 109.102 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 466' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.04 -40.81 62.6 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.015 0.436 . . . . 65.0 110.182 176.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 467' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -55.58 -40.34 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.949 -0.569 . . . . 89.859999999999999 109.482 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 468' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -56.7 -43.29 80.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 96.040000000000006 110.469 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 469' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -74.73 -37.61 62.48 Favored 'General case' 0 C--O 1.238 0.487 0 N-CA-C 112.253 0.464 . . . . 72.290000000000006 112.253 -177.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 470' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -66.09 -31.68 72.7 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 119.973 -0.691 . . . . 68.700000000000003 109.756 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 471' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -72.31 -31.92 66.11 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.817 -0.808 . . . . 102.31 108.817 175.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 472' ' ' GLY . . . . . . . . . . . . . . . -55.55 -51.33 55.43 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.66 -0.976 . . . . 51.729999999999997 110.66 173.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 473' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.67 -36.05 81.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 52.649999999999999 110.456 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 474' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -47.14 85.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 65.109999999999999 110.609 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 475' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -56.45 -59.28 5.2 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 107.556 -1.276 . . . . 102.08 107.556 175.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 476' ' ' LEU . . . . . 0.515 HD23 HD22 ' A' ' 466' ' ' LEU . 7.5 tp -38.63 -53.97 1.58 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.107 -0.951 . . . . 77.459999999999994 110.298 177.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 477' ' ' ILE . . . . . . . . . . . . . 10.0 mt -67.76 -42.11 85.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 50.200000000000003 111.194 -174.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 478' ' ' SER . . . . . . . . . . . . . 58.1 m -58.68 -45.12 90.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.421 . . . . 59.259999999999998 112.129 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 479' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.08 -37.48 79.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 70.670000000000002 110.674 179.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 480' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.59 -46.92 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 119.929 -0.708 . . . . 37.359999999999999 109.219 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 481' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' D' ' 485' ' ' GLU . 82.4 mttt -54.62 -40.65 69.12 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.494 0.553 . . . . 74.790000000000006 112.494 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 482' ' ' ASP . . . . . 0.723 ' OD1' ' N ' ' D' ' 483' ' ' ASP . 13.3 p30 -67.75 -37.93 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.38 -0.528 . . . . 84.189999999999998 110.315 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 483' ' ' ASP . . . . . 0.723 ' N ' ' OD1' ' D' ' 482' ' ' ASP . 7.7 m-20 -70.26 -30.57 67.64 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.193 -0.603 . . . . 58.950000000000003 111.347 179.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 484' ' ' MSE . . . . . . . . . . . . . 12.3 mtm -77.79 5.72 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.407 -0.917 . . . . 102.87 112.79 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 485' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' D' ' 481' ' ' LYS . 48.3 mt-10 -100.79 9.2 42.67 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.512 -0.922 . . . . 74.409999999999997 108.512 171.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 486' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -134.43 43.38 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.779 -0.646 . . . . 62.289999999999999 110.399 -174.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 487' ' ' ILE . . . . . 0.487 HD13 HD13 ' C' ' 454' ' ' ILE . 10.9 mm -82.6 147.94 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.82 0 N-CA-C 108.877 -0.786 . . . . 29.07 108.877 -175.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.87 135.62 53.59 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.809 -0.811 . . . . 58.990000000000002 108.809 179.28 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 489' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' C' ' 452' ' ' TYR . 27.5 tp -104.9 126.02 51.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.167 -1.049 . . . . 26.079999999999998 108.167 179.679 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 490' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--N 1.328 -0.337 0 N-CA-C 108.868 -0.79 . . . . 60.049999999999997 108.868 168.926 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 502' ' ' HOH . . . . . 0.593 ' O ' HD12 ' C' ' 454' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_