data_1ku3_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 1ku3 _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 ' 368' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.68 0.276 . . . . 125.66 110.58 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' LEU . . . . . . . . . . . . . . . 53.01 -95.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 114.424 1.268 . . . . 118.54 114.424 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' GLU . . . . . . . . . . . . . . . -140.45 -136.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.659 0.614 . . . . 119.62 112.659 -179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . . . 63.53 10.93 5.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.444 0.64 . . . . 105.7 110.6 -179.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -172.8 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.563 -2.754 . . . . 158.41 103.563 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.41 -14.26 61.23 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 104.111 -2.551 . . . . 128.56 104.111 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 374' ' ' SER . . . . . . . . . . . . . 43.1 t -78.43 -34.22 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.901 -1.045 . . . . 76.78 108.523 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 375' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -76.45 -16.17 59.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 66.77 110.882 179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.95 141.26 47.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.981 -0.748 . . . . 42.83 108.981 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 377' ' ' SER . . . . . . . . . . . . . 92.4 p -74.86 178.87 5.22 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.635 -1.246 . . . . 54.08 107.635 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.21 -41.22 73.93 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.66 -0.416 . . . . 134.46 110.319 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.06 -44.53 88.66 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.098 -0.641 . . . . 66.89 109.904 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -61.69 -48.54 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.221 0.822 . . . . 29.85 113.221 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 381' ' ' ALA . . . . . . . . . . . . . . . -62.05 -37.52 85.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.239 0.542 . . . . 30.41 111.002 -179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 382' ' ' MET . . . . . . . . . . . . . 6.6 ttp -71.86 -42.99 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.153 -0.476 . . . . 42.22 111.206 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.02 -42.88 98.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.166 -0.679 . . . . 29.62 109.166 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.54 -50.78 69.98 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.104 -0.638 . . . . 37.29 112.667 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 385' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -59.17 -43.06 92.13 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 112.709 0.633 . . . . 122.18 112.709 -179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 39.1 ttm -66.63 -47.23 73.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.328 -0.949 . . . . 90.48 109.51 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 387' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 534' ' ' HOH . 16.6 mmm180 -59.2 -43.19 92.24 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.797 1.036 . . . . 33.45 113.797 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 388' ' ' LYS . . . . . 0.497 ' NZ ' ' O ' ' A' ' 534' ' ' HOH . 71.3 mmtt -87.95 1.61 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 117.96 2.578 . . . . 37.79 117.96 -176.47 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 389' ' ' GLY . . . . . . . . . . . . . . . 84.13 10.93 79.62 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.118 -1.039 . . . . 33.07 115.183 179.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 3.6 mp -78.09 -11.18 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.683 1.364 . . . . 63.17 114.683 -178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.55 -60.78 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.729 0.299 . . . . 49.89 111.309 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -116.57 24.03 11.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.27 0.841 . . . . 57.63 113.27 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 65.36 11.97 54.24 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 115.681 1.032 . . . . 42.19 115.681 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 394' ' ' ARG . . . . . . . . . . . . . 58.8 ttp85 -128.96 137.75 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.419 0.609 . . . . 130.76 110.304 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 395' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -78.71 137.12 37.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.089 -0.708 . . . . 135.25 109.089 178.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -109.91 143.42 39.86 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.842 -0.617 . . . . 48.32 110.815 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 397' ' ' THR . . . . . . . . . . . . . 71.3 p -74.88 165.74 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.02 -1.104 . . . . 35.87 108.02 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 398' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.4 -35.03 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.745 -0.835 . . . . 27.07 108.745 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -69.75 -40.13 76.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 54.22 111.472 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.42 -42.28 98.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.419 0.628 . . . . 43.18 109.69 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 66.2 t -70.71 -38.46 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.384 -0.526 . . . . 18.3 111.405 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -63.56 -46.14 93.02 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 119.486 -1.34 . . . . 17.52 110.121 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.987 -0.713 . . . . 27.15 111.251 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -59.82 -50.02 75.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 27.85 110.838 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -95.53 -8.44 35.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 113.49 0.922 . . . . 30.15 113.49 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 79.2 46.16 8.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.107 -1.044 . . . . 33.81 113.93 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.75 166.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.526 -0.916 . . . . 32.94 108.526 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' THR . . . . . . . . . . . . . 72.5 p -70.17 158.79 35.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.166 1.173 . . . . 26.17 114.166 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 535' ' ' HOH . 52.1 ttt-85 -58.07 -45.66 86.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.335 -1.357 . . . . 106.45 107.335 178.776 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -61.81 -37.46 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.058 1.133 . . . . 69.84 114.058 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -64.43 -39.49 93.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.307 0.575 . . . . 82.01 109.629 179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 35.5 mm -67.31 -38.89 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 23.75 109.761 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -62.78 -40.45 97.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.695 0.76 . . . . 116.3 109.009 179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 414' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.85 -44.36 93.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.21 -0.905 . . . . 73.28 111.065 179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.51 -39.41 83.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 120.664 -0.415 . . . . 21.6 110.614 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.89 -44.18 81.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.346 . . . . 29.8 111.551 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 417' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.75 -36.63 83.67 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.586 -0.446 . . . . 38.57 111.637 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -70.89 -39.91 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 32.03 110.234 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 419' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.95 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.756 -0.831 . . . . 17.47 108.756 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.1 -37.63 88.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 25.22 111.497 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -66.53 -37.3 84.71 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 119.982 -0.687 . . . . 43.36 109.631 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.91 -33.81 76.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.878 -0.329 . . . . 29.85 111.106 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.96 -36.47 72.59 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 35.42 109.782 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -64.39 -40.76 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.911 -0.586 . . . . 115.22 109.461 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 425' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.51 -51.44 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.946 -0.57 . . . . 38.11 111.79 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.31 6.77 9.15 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.154 1.909 . . . . 53.9 116.154 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . . . -95.18 -14.92 23.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 105.949 -1.871 . . . . 82.32 105.949 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.215 -0.897 . . . . 117.8 111.373 -179.943 . . . . . . . . 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 ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 534' ' ' HOH . . . . . 0.56 ' O ' ' NH2' ' A' ' 387' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 535' ' ' HOH . . . . . 0.556 ' O ' ' NH2' ' A' ' 409' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 537' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.68 0.276 . . . . 125.66 110.58 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 369' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 373' ' ' LEU . . . 53.01 -95.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 114.424 1.268 . . . . 118.54000000000001 114.424 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 370' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 373' ' ' LEU . . . -140.45 -136.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.659 0.614 . . . . 119.62 112.659 -179.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . . . 63.53 10.93 5.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.444 0.64 . . . . 105.7 110.6 -179.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -172.8 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.563 -2.754 . . . . 158.41 103.563 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 373' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 369' ' ' LEU . 82.6 mt -73.41 -14.26 61.23 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 104.111 -2.551 . . . . 128.56 104.111 177.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 374' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 370' ' ' GLU . 43.1 t -78.43 -34.22 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.901 -1.045 . . . . 76.780000000000001 108.523 179.143 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 375' ' ' LYS . . . . . 0.44 ' HG3' ' NE2' ' A' ' 426' ' ' HIS . 70.1 mmtt -76.45 -16.17 59.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 66.769999999999996 110.882 179.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.95 141.26 47.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.981 -0.748 . . . . 42.829999999999998 108.981 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 377' ' ' SER . . . . . 0.481 ' OG ' ' HG3' ' A' ' 380' ' ' GLU . 92.4 p -74.86 178.87 5.22 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.635 -1.246 . . . . 54.079999999999998 107.635 179.252 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.21 -41.22 73.93 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.66 -0.416 . . . . 134.46000000000001 110.319 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 379' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.06 -44.53 88.66 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.098 -0.641 . . . . 66.890000000000001 109.904 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 380' ' ' GLU . . . . . 0.481 ' HG3' ' OG ' ' A' ' 377' ' ' SER . 77.0 mt-10 -61.69 -48.54 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.221 0.822 . . . . 29.850000000000001 113.221 -179.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 381' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 385' ' ' LYS . . . -62.05 -37.52 85.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.239 0.542 . . . . 30.41 111.002 -179.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 382' ' ' MET . . . . . . . . . . . . . 6.6 ttp -71.86 -42.99 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.153 -0.476 . . . . 42.219999999999999 111.206 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.02 -42.88 98.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.166 -0.679 . . . . 29.620000000000001 109.166 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.54 -50.78 69.98 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.104 -0.638 . . . . 37.289999999999999 112.667 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 385' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 381' ' ' ALA . 57.1 mtmt -59.17 -43.06 92.13 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 112.709 0.633 . . . . 122.18000000000001 112.709 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 386' ' ' MET . . . . . 0.57 ' HE1' ' CE1' ' A' ' 404' ' ' TYR . 39.1 ttm -66.63 -47.23 73.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.328 -0.949 . . . . 90.480000000000004 109.51 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 387' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 534' ' ' HOH . 16.6 mmm180 -59.2 -43.19 92.24 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.797 1.036 . . . . 33.450000000000003 113.797 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -87.95 1.61 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 117.96 2.578 . . . . 37.789999999999999 117.96 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 389' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 394' ' ' ARG . . . 84.13 10.93 79.62 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.118 -1.039 . . . . 33.07 115.183 179.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 3.6 mp -78.09 -11.18 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.683 1.364 . . . . 63.170000000000002 114.683 -178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.55 -60.78 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.729 0.299 . . . . 49.890000000000001 111.309 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -116.57 24.03 11.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.27 0.841 . . . . 57.630000000000003 113.27 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 65.36 11.97 54.24 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 115.681 1.032 . . . . 42.189999999999998 115.681 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 394' ' ' ARG . . . . . 0.43 ' O ' ' HA2' ' A' ' 389' ' ' GLY . 58.8 ttp85 -128.96 137.75 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.419 0.609 . . . . 130.75999999999999 110.304 178.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 395' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 537' ' ' HOH . 31.4 mt-10 -78.71 137.12 37.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.089 -0.708 . . . . 135.25 109.089 178.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 396' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -109.91 143.42 39.86 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.842 -0.617 . . . . 48.32 110.815 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 397' ' ' THR . . . . . 0.557 ' OG1' ' HG3' ' A' ' 400' ' ' GLU . 71.3 p -74.88 165.74 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.02 -1.104 . . . . 35.869999999999997 108.02 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 398' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.4 -35.03 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.745 -0.835 . . . . 27.07 108.745 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -69.75 -40.13 76.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 54.219999999999999 111.472 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 400' ' ' GLU . . . . . 0.557 ' HG3' ' OG1' ' A' ' 397' ' ' THR . 60.8 mt-10 -63.42 -42.28 98.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.419 0.628 . . . . 43.18 109.69 179.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 66.2 t -70.71 -38.46 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.384 -0.526 . . . . 18.300000000000001 111.405 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -63.56 -46.14 93.02 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 119.486 -1.34 . . . . 17.52 110.121 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.987 -0.713 . . . . 27.149999999999999 111.251 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 404' ' ' TYR . . . . . 0.57 ' CE1' ' HE1' ' A' ' 386' ' ' MET . 22.6 t80 -59.82 -50.02 75.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 27.850000000000001 110.838 179.535 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 405' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -95.53 -8.44 35.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 113.49 0.922 . . . . 30.149999999999999 113.49 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 79.2 46.16 8.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.107 -1.044 . . . . 33.810000000000002 113.93 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.75 166.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.526 -0.916 . . . . 32.939999999999998 108.526 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 408' ' ' THR . . . . . . . . . . . . . 72.5 p -70.17 158.79 35.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.166 1.173 . . . . 26.170000000000002 114.166 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 409' ' ' ARG . . . . . 0.602 HH12 ' NH1' ' A' ' 413' ' ' ARG . 52.1 ttt-85 -58.07 -45.66 86.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.335 -1.357 . . . . 106.45 107.335 178.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -61.81 -37.46 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.058 1.133 . . . . 69.840000000000003 114.058 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 411' ' ' ARG . . . . . 0.572 HH21 ' HB3' ' A' ' 414' ' ' GLN . 1.5 tpm_? -64.43 -39.49 93.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.307 0.575 . . . . 82.010000000000005 109.629 179.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 35.5 mm -67.31 -38.89 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 23.75 109.761 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 413' ' ' ARG . . . . . 0.602 ' NH1' HH12 ' A' ' 409' ' ' ARG . 46.9 ttp180 -62.78 -40.45 97.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.695 0.76 . . . . 116.3 109.009 179.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 414' ' ' GLN . . . . . 0.572 ' HB3' HH21 ' A' ' 411' ' ' ARG . 9.1 tt0 -63.85 -44.36 93.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.21 -0.905 . . . . 73.280000000000001 111.065 179.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.51 -39.41 83.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 120.664 -0.415 . . . . 21.600000000000001 110.614 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.89 -44.18 81.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.346 . . . . 29.800000000000001 111.551 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 417' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 421' ' ' ARG . 98.4 m-20 -62.75 -36.63 83.67 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.586 -0.446 . . . . 38.57 111.637 -179.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -70.89 -39.91 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 32.030000000000001 110.234 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 419' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.95 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.756 -0.831 . . . . 17.469999999999999 108.756 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.1 -37.63 88.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 25.219999999999999 111.497 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 421' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 417' ' ' ASN . 69.1 mtt85 -66.53 -37.3 84.71 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 119.982 -0.687 . . . . 43.359999999999999 109.631 178.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.91 -33.81 76.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.878 -0.329 . . . . 29.850000000000001 111.106 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.96 -36.47 72.59 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 35.420000000000002 109.782 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -64.39 -40.76 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.911 -0.586 . . . . 115.22 109.461 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 425' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.51 -51.44 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.946 -0.57 . . . . 38.109999999999999 111.79 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 426' ' ' HIS . . . . . 0.44 ' NE2' ' HG3' ' A' ' 375' ' ' LYS . 97.3 m-70 -79.31 6.77 9.15 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.154 1.909 . . . . 53.899999999999999 116.154 -177.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . . . -95.18 -14.92 23.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 105.949 -1.871 . . . . 82.319999999999993 105.949 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.215 -0.897 . . . . 117.8 111.373 -179.943 . . . . . . . . 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 ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 534' ' ' HOH . . . . . 0.56 ' O ' ' NH2' ' A' ' 387' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 537' ' ' HOH . . . . . 0.519 ' O ' ' HG3' ' A' ' 395' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.68 0.276 . . . . 125.66 110.58 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 373' ' ' LEU . . . 53.01 -95.31 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 114.424 1.268 . . . . 118.54000000000001 114.424 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' GLU . . . . . 0.462 ' HA ' ' HB2' ' A' ' 373' ' ' LEU . . . -140.45 -136.64 0.12 Allowed 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.659 0.614 . . . . 119.62 112.659 -179.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . . . 63.53 10.93 5.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.444 0.64 . . . . 105.7 110.6 -179.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' ALA . . . . . . . . . . . . . . . -172.8 -47.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 103.563 -2.754 . . . . 158.41 103.563 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' LEU . . . . . 0.563 HD12 ' O ' ' A' ' 369' ' ' LEU . 82.6 mt -73.41 -14.26 61.23 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 104.111 -2.551 . . . . 128.56 104.111 177.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 374' ' ' SER . . . . . 0.456 ' HB2' ' CB ' ' A' ' 370' ' ' GLU . 43.1 t -78.43 -34.22 48.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.901 -1.045 . . . . 76.780000000000001 108.523 179.143 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 375' ' ' LYS . . . . . 0.44 ' HG3' ' NE2' ' A' ' 426' ' ' HIS . 70.1 mmtt -76.45 -16.17 59.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 66.769999999999996 110.882 179.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 376' ' ' LEU . . . . . . . . . . . . . 22.8 mt -72.95 141.26 47.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.981 -0.748 . . . . 42.829999999999998 108.981 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' SER . . . . . 0.481 ' OG ' ' HG3' ' A' ' 380' ' ' GLU . 92.4 p -74.86 178.87 5.22 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.635 -1.246 . . . . 54.079999999999998 107.635 179.252 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.21 -41.22 73.93 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.66 -0.416 . . . . 134.46000000000001 110.319 179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -65.06 -44.53 88.66 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.098 -0.641 . . . . 66.890000000000001 109.904 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' GLU . . . . . 0.481 ' HG3' ' OG ' ' A' ' 377' ' ' SER . 77.0 mt-10 -61.69 -48.54 80.31 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.221 0.822 . . . . 29.850000000000001 113.221 -179.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 381' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 385' ' ' LYS . . . -62.05 -37.52 85.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.239 0.542 . . . . 30.41 111.002 -179.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 382' ' ' MET . . . . . . . . . . . . . 6.6 ttp -71.86 -42.99 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.153 -0.476 . . . . 42.219999999999999 111.206 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 383' ' ' VAL . . . . . . . . . . . . . 54.9 t -63.02 -42.88 98.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.166 -0.679 . . . . 29.620000000000001 109.166 178.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 384' ' ' LEU . . . . . . . . . . . . . 5.8 mt -62.54 -50.78 69.98 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.104 -0.638 . . . . 37.289999999999999 112.667 179.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 385' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 381' ' ' ALA . 57.1 mtmt -59.17 -43.06 92.13 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 112.709 0.633 . . . . 122.18000000000001 112.709 -179.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 386' ' ' MET . . . . . 0.57 ' HE1' ' CE1' ' A' ' 404' ' ' TYR . 39.1 ttm -66.63 -47.23 73.24 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 119.328 -0.949 . . . . 90.480000000000004 109.51 178.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 387' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 534' ' ' HOH . 16.6 mmm180 -59.2 -43.19 92.24 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 113.797 1.036 . . . . 33.450000000000003 113.797 -179.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 388' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -87.95 1.61 53.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 117.96 2.578 . . . . 37.789999999999999 117.96 -176.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 389' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' A' ' 394' ' ' ARG . . . 84.13 10.93 79.62 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.118 -1.039 . . . . 33.07 115.183 179.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 390' ' ' LEU . . . . . . . . . . . . . 3.6 mp -78.09 -11.18 59.89 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.683 1.364 . . . . 63.170000000000002 114.683 -178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 391' ' ' ILE . . . . . . . . . . . . . 28.8 mt -92.55 -60.78 2.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 120.729 0.299 . . . . 49.890000000000001 111.309 179.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 392' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -116.57 24.03 11.6 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 113.27 0.841 . . . . 57.630000000000003 113.27 -179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' GLY . . . . . . . . . . . . . . . 65.36 11.97 54.24 Favored Glycine 0 N--CA 1.45 -0.404 0 N-CA-C 115.681 1.032 . . . . 42.189999999999998 115.681 179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 394' ' ' ARG . . . . . 0.43 ' O ' ' HA2' ' A' ' 389' ' ' GLY . 58.8 ttp85 -128.96 137.75 51.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.419 0.609 . . . . 130.75999999999999 110.304 178.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 395' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 537' ' ' HOH . 31.4 mt-10 -78.71 137.12 37.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.089 -0.708 . . . . 135.25 109.089 178.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 396' ' ' HIS . . . . . 0.409 ' HD2' ' O ' ' A' ' 386' ' ' MET . 77.5 m-70 -109.91 143.42 39.86 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 115.842 -0.617 . . . . 48.32 110.815 -179.527 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 397' ' ' THR . . . . . 0.557 ' OG1' ' HG3' ' A' ' 400' ' ' GLU . 71.3 p -74.88 165.74 24.76 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.02 -1.104 . . . . 35.869999999999997 108.02 179.042 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 398' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.4 -35.03 76.4 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.745 -0.835 . . . . 27.07 108.745 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -69.75 -40.13 76.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.036 -0.529 . . . . 54.219999999999999 111.472 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.557 ' HG3' ' OG1' ' A' ' 397' ' ' THR . 60.8 mt-10 -63.42 -42.28 98.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.419 0.628 . . . . 43.18 109.69 179.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' VAL . . . . . . . . . . . . . 66.2 t -70.71 -38.46 73.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.384 -0.526 . . . . 18.300000000000001 111.405 179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . -63.56 -46.14 93.02 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 119.486 -1.34 . . . . 17.52 110.121 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' ALA . . . . . . . . . . . . . . . -66.86 -30.42 70.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.987 -0.713 . . . . 27.149999999999999 111.251 179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' TYR . . . . . 0.57 ' CE1' ' HE1' ' A' ' 386' ' ' MET . 22.6 t80 -59.82 -50.02 75.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.05 -0.523 . . . . 27.850000000000001 110.838 179.535 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -95.53 -8.44 35.15 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 113.49 0.922 . . . . 30.149999999999999 113.49 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' GLY . . . . . . . . . . . . . . . 79.2 46.16 8.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.107 -1.044 . . . . 33.810000000000002 113.93 -179.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' VAL . . . . . . . . . . . . . 17.3 m -137.75 166.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 108.526 -0.916 . . . . 32.939999999999998 108.526 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' THR . . . . . . . . . . . . . 72.5 p -70.17 158.79 35.15 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 114.166 1.173 . . . . 26.170000000000002 114.166 -178.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' ARG . . . . . 0.602 HH12 ' NH1' ' A' ' 413' ' ' ARG . 52.1 ttt-85 -58.07 -45.66 86.74 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.335 -1.357 . . . . 106.45 107.335 178.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -61.81 -37.46 84.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 114.058 1.133 . . . . 69.840000000000003 114.058 -179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.572 HH21 ' HB3' ' A' ' 414' ' ' GLN . 1.5 tpm_? -64.43 -39.49 93.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.307 0.575 . . . . 82.010000000000005 109.629 179.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 35.5 mm -67.31 -38.89 81.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 23.75 109.761 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.602 ' NH1' HH12 ' A' ' 409' ' ' ARG . 46.9 ttp180 -62.78 -40.45 97.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.695 0.76 . . . . 116.3 109.009 179.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 414' ' ' GLN . . . . . 0.572 ' HB3' HH21 ' A' ' 411' ' ' ARG . 9.1 tt0 -63.85 -44.36 93.37 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.21 -0.905 . . . . 73.280000000000001 111.065 179.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 415' ' ' ILE . . . . . . . . . . . . . 88.2 mt -66.51 -39.41 83.9 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.357 0 C-N-CA 120.664 -0.415 . . . . 21.600000000000001 110.614 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.89 -44.18 81.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.834 -0.346 . . . . 29.800000000000001 111.551 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 417' ' ' ASN . . . . . 0.529 ' O ' ' HG3' ' A' ' 421' ' ' ARG . 98.4 m-20 -62.75 -36.63 83.67 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.586 -0.446 . . . . 38.57 111.637 -179.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -70.89 -39.91 72.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.776 -0.647 . . . . 32.030000000000001 110.234 179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 419' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.95 94.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 108.756 -0.831 . . . . 17.469999999999999 108.756 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 420' ' ' LEU . . . . . . . . . . . . . 86.4 mt -65.1 -37.63 88.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.938 -0.574 . . . . 25.219999999999999 111.497 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 421' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 417' ' ' ASN . 69.1 mtt85 -66.53 -37.3 84.71 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 119.982 -0.687 . . . . 43.359999999999999 109.631 178.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 422' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -66.91 -33.81 76.41 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.878 -0.329 . . . . 29.850000000000001 111.106 179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 51.7 mt -70.96 -36.47 72.59 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 35.420000000000002 109.782 178.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 424' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -64.39 -40.76 96.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.911 -0.586 . . . . 115.22 109.461 179.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 425' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -61.51 -51.44 68.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.946 -0.57 . . . . 38.109999999999999 111.79 -179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 426' ' ' HIS . . . . . 0.44 ' NE2' ' HG3' ' A' ' 375' ' ' LYS . 97.3 m-70 -79.31 6.77 9.15 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.154 1.909 . . . . 53.899999999999999 116.154 -177.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . . . -95.18 -14.92 23.68 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 105.949 -1.871 . . . . 82.319999999999993 105.949 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.215 -0.897 . . . . 117.8 111.373 -179.943 . . . . . . . . 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 ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 523' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 524' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 525' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 526' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 527' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 528' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 529' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 530' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 531' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 532' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 533' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 534' ' ' HOH . . . . . 0.56 ' O ' ' NH2' ' A' ' 387' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 535' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 536' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 537' ' ' HOH . . . . . 0.519 ' O ' ' HG3' ' A' ' 395' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 538' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 539' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_