data_1d1l_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 1d1l _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 ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.419 -1.978 0 N-CA-C 106.759 -1.571 . . . . 48.8 106.759 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -78.05 156.27 30.16 Favored 'General case' 0 CA--C 1.571 1.751 0 CA-C-O 118.907 -0.568 . . . . 92.82 111.745 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 106.049 -1.834 . . . . 60.63 106.049 161.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -144.5 117.88 9.05 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 123.719 0.808 . . . . 50.55 111.338 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.18 148.16 32.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 127.101 2.16 . . . . 64.1 112.512 -169.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.4 p -73.51 152.0 40.83 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 117.06 -1.856 . . . . 27.13 110.248 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.8 tp -49.42 -52.14 30.73 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-O 123.942 1.829 . . . . 25.09 111.234 176.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -54.37 -50.98 66.21 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 120.44 -1.413 . . . . 100.0 114.037 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -64.67 -38.98 92.85 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 119.254 -2.154 . . . . 66.93 111.035 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.29 -52.2 66.29 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.313 -0.858 . . . . 33.28 109.739 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 15' ' ' GLY . . . -59.83 -37.85 80.36 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.289 0.566 . . . . 31.95 111.886 -178.537 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.1 ttm -64.99 -43.44 92.57 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 124.001 1.858 . . . . 86.2 112.214 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.09 -41.81 49.2 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.515 -1.991 . . . . 100.0 114.487 176.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -96.62 -11.05 25.79 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 118.932 2.938 . . . . 61.32 118.932 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' ALA . . . 95.79 138.59 9.82 Favored Glycine 0 C--N 1.296 -1.642 0 O-C-N 116.908 -3.62 . . . . 30.3 111.987 -177.662 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -58.76 -36.46 74.41 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 123.963 1.839 . . . . 100.0 112.617 -178.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.6 m -63.52 -52.35 61.56 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 124.793 2.235 . . . . 46.27 112.774 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -63.78 -33.56 75.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.34 -1.744 . . . . 59.05 111.397 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -61.93 -46.57 88.73 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-O 123.454 1.597 . . . . 26.06 110.315 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . -59.55 -47.56 85.06 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 127.376 3.465 . . . . 26.28 109.617 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -60.11 -49.8 76.21 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-N 110.641 -2.982 . . . . 100.0 111.875 179.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -52.87 -40.79 63.72 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.473 1.509 . . . . 32.69 111.567 176.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 mt -93.11 -12.04 31.41 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.376 -1.329 . . . . 31.52 112.579 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . 72.02 28.29 68.81 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 119.123 -1.513 . . . . 28.24 113.707 -175.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.89 166.1 3.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 CA-C-N 120.586 2.193 . . . . 27.35 111.585 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -69.83 126.19 28.99 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 105.477 -2.046 . . . . 81.8 105.477 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -46.02 -40.71 10.96 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 117.954 2.576 . . . . 89.98 117.954 -170.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . 0.31 1.4 p -71.32 -18.68 62.38 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 116.878 -1.929 . . . . 39.33 113.287 -173.181 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.14 70.42 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.78 0.8 . . . . 26.6 113.001 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.83 -55.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 125.513 2.578 . . . . 35.26 110.067 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.258 4.1 t-20 -56.16 -47.82 77.51 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 111.557 -2.565 . . . . 82.95 111.086 -178.522 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -62.18 -35.94 80.36 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 119.36 -2.088 . . . . 95.79 115.389 176.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.63 -37.02 73.73 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.256 -1.527 . . . . 34.4 110.502 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' A' ' 37' ' ' GLY . 34.2 mt -61.86 -67.11 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 113.661 -1.609 . . . . 54.63 110.201 176.934 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -49.28 -27.4 3.79 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 114.355 -1.293 . . . . 94.62 111.282 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 5.99 47.5 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.499 1.045 . . . . 52.43 112.555 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . 0.557 ' N ' ' O ' ' A' ' 34' ' ' ILE . . . 50.08 45.49 42.5 Favored Glycine 0 C--O 1.211 -1.341 0 N-CA-C 115.708 1.043 . . . . 47.69 115.708 -178.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.07 157.59 29.49 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 113.298 -3.361 . . . . 58.57 111.541 174.491 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -88.45 77.48 8.08 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.8 1.24 . . . . 100.0 113.388 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -115.0 129.2 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 C-N-CA 127.573 2.349 . . . . 29.82 112.23 -174.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.87 138.95 52.86 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 114.251 -1.34 . . . . 29.39 108.484 -175.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mp -102.29 142.79 32.96 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.425 -1.261 . . . . 34.15 108.194 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -109.78 124.76 51.84 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.066 1.346 . . . . 29.59 108.104 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -105.41 110.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 O-C-N 120.32 -1.488 . . . . 36.45 109.409 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -73.36 166.17 23.69 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 118.475 -1.29 . . . . 77.96 112.594 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.49 77.26 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 125.857 1.973 . . . . 73.3 112.548 -175.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -73.84 -1.72 20.65 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 113.668 -1.605 . . . . 100.0 111.343 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 -8.43 63.72 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 116.469 1.348 . . . . 57.84 116.469 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -69.62 150.87 46.58 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.378 0.881 . . . . 65.48 113.378 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.28 142.81 42.51 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 CA-C-O 117.056 -1.45 . . . . 32.51 112.221 -175.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -139.47 153.76 47.6 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.783 2.033 . . . . 37.92 112.204 169.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.26 153.58 34.79 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 118.544 -1.262 . . . . 26.95 111.254 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -148.03 145.85 28.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 123.138 1.447 . . . . 36.34 110.716 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.273 42.8 tt0 -102.44 136.89 41.47 Favored 'General case' 0 N--CA 1.426 -1.645 0 N-CA-C 106.257 -1.757 . . . . 100.0 106.257 179.447 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.61 128.79 69.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 115.612 1.708 . . . . 45.5 115.612 -172.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 146.75 63.36 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 114.512 -1.222 . . . . 100.0 113.257 178.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -64.22 145.2 88.47 Favored 'Trans proline' 0 N--CA 1.441 -1.563 0 C-N-CA 123.671 2.914 . . . . 40.34 109.429 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -130.09 119.86 18.98 Favored Pre-proline 0 CA--C 1.487 -1.48 0 N-CA-C 105.244 -2.132 . . . . 35.83 105.244 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -96.59 174.1 11.35 Favored 'Cis proline' 0 N--CA 1.423 -2.675 1 C-N-CA 117.033 -4.153 . . . . 57.56 113.73 7.228 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . 0.459 ' O ' ' OXT' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -62.24 137.21 58.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 108.985 -3.734 . . . . 100.0 115.357 -177.543 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' OXT' ' O ' ' A' ' 60' ' ' SER . 1.2 p30 . . . . . 0 C--O 1.262 1.721 0 CA-C-O 112.374 -3.679 . . . . 100.0 118.174 172.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.419 -1.978 0 N-CA-C 106.759 -1.571 . . . . 48.799999999999997 106.759 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . 0.769 ' HB3' ' O ' ' A' ' 102' ' ' HOH . 3.4 pm0 -78.05 156.27 30.16 Favored 'General case' 0 CA--C 1.571 1.751 0 CA-C-O 118.907 -0.568 . . . . 92.819999999999993 111.745 173.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 106.049 -1.834 . . . . 60.630000000000003 106.049 161.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -144.5 117.88 9.05 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 123.719 0.808 . . . . 50.549999999999997 111.338 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.18 148.16 32.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 127.101 2.16 . . . . 64.099999999999994 112.512 -169.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.4 p -73.51 152.0 40.83 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 117.06 -1.856 . . . . 27.129999999999999 110.248 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.8 tp -49.42 -52.14 30.73 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-O 123.942 1.829 . . . . 25.09 111.234 176.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -54.37 -50.98 66.21 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 120.44 -1.413 . . . . 100.0 114.037 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -64.67 -38.98 92.85 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 119.254 -2.154 . . . . 66.930000000000007 111.035 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.29 -52.2 66.29 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.313 -0.858 . . . . 33.280000000000001 109.739 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.85 80.36 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.289 0.566 . . . . 31.949999999999999 111.886 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.1 ttm -64.99 -43.44 92.57 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 124.001 1.858 . . . . 86.200000000000003 112.214 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.583 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -76.09 -41.81 49.2 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.515 -1.991 . . . . 100.0 114.487 176.963 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -96.62 -11.05 25.79 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 118.932 2.938 . . . . 61.32 118.932 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.79 138.59 9.82 Favored Glycine 0 C--N 1.296 -1.642 0 O-C-N 116.908 -3.62 . . . . 30.300000000000001 111.987 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' OE1' ' HB2' ' A' ' 31' ' ' ASN . 12.3 mt-30 -58.76 -36.46 74.41 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 123.963 1.839 . . . . 100.0 112.617 -178.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.6 m -63.52 -52.35 61.56 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 124.793 2.235 . . . . 46.270000000000003 112.774 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -63.78 -33.56 75.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.34 -1.744 . . . . 59.049999999999997 111.397 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -61.93 -46.57 88.73 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-O 123.454 1.597 . . . . 26.059999999999999 110.315 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . -59.55 -47.56 85.06 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 127.376 3.465 . . . . 26.280000000000001 109.617 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' HE3' ' O2 ' ' A' ' 200' ' ' SO4 . 11.6 tttm -60.11 -49.8 76.21 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-N 110.641 -2.982 . . . . 100.0 111.875 179.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -52.87 -40.79 63.72 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.473 1.509 . . . . 32.689999999999998 111.567 176.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 mt -93.11 -12.04 31.41 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.376 -1.329 . . . . 31.52 112.579 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . 72.02 28.29 68.81 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 119.123 -1.513 . . . . 28.239999999999998 113.707 -175.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.89 166.1 3.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 CA-C-N 120.586 2.193 . . . . 27.350000000000001 111.585 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -69.83 126.19 28.99 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 105.477 -2.046 . . . . 81.799999999999997 105.477 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -46.02 -40.71 10.96 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 117.954 2.576 . . . . 89.980000000000004 117.954 -170.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 32' ' ' LYS 0.31 1.4 p -71.32 -18.68 62.38 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 116.878 -1.929 . . . . 39.329999999999998 113.287 -173.181 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.14 70.42 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.78 0.8 . . . . 26.600000000000001 113.001 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.83 -55.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 125.513 2.578 . . . . 35.259999999999998 110.067 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' HB2' ' OE1' ' A' ' 16' ' ' GLN 0.258 4.1 t-20 -56.16 -47.82 77.51 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 111.557 -2.565 . . . . 82.950000000000003 111.086 -178.522 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 28' ' ' SER . 3.2 mttt -62.18 -35.94 80.36 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 119.36 -2.088 . . . . 95.790000000000006 115.389 176.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.63 -37.02 73.73 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.256 -1.527 . . . . 34.399999999999999 110.502 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.86 -67.11 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 113.661 -1.609 . . . . 54.630000000000003 110.201 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -49.28 -27.4 3.79 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 114.355 -1.293 . . . . 94.620000000000005 111.282 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 5.99 47.5 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.499 1.045 . . . . 52.43 112.555 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 45.49 42.5 Favored Glycine 0 C--O 1.211 -1.341 0 N-CA-C 115.708 1.043 . . . . 47.689999999999998 115.708 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.07 157.59 29.49 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 113.298 -3.361 . . . . 58.57 111.541 174.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -88.45 77.48 8.08 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.8 1.24 . . . . 100.0 113.388 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -115.0 129.2 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 C-N-CA 127.573 2.349 . . . . 29.82 112.23 -174.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.87 138.95 52.86 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 114.251 -1.34 . . . . 29.390000000000001 108.484 -175.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mp -102.29 142.79 32.96 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.425 -1.261 . . . . 34.149999999999999 108.194 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -109.78 124.76 51.84 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.066 1.346 . . . . 29.59 108.104 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -105.41 110.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 O-C-N 120.32 -1.488 . . . . 36.450000000000003 109.409 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -73.36 166.17 23.69 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 118.475 -1.29 . . . . 77.959999999999994 112.594 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.49 77.26 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 125.857 1.973 . . . . 73.299999999999997 112.548 -175.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -73.84 -1.72 20.65 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 113.668 -1.605 . . . . 100.0 111.343 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 -8.43 63.72 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 116.469 1.348 . . . . 57.840000000000003 116.469 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -69.62 150.87 46.58 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.378 0.881 . . . . 65.480000000000004 113.378 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.28 142.81 42.51 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 CA-C-O 117.056 -1.45 . . . . 32.509999999999998 112.221 -175.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -139.47 153.76 47.6 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.783 2.033 . . . . 37.920000000000002 112.204 169.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.26 153.58 34.79 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 118.544 -1.262 . . . . 26.949999999999999 111.254 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -148.03 145.85 28.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 123.138 1.447 . . . . 36.340000000000003 110.716 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.273 42.8 tt0 -102.44 136.89 41.47 Favored 'General case' 0 N--CA 1.426 -1.645 0 N-CA-C 106.257 -1.757 . . . . 100.0 106.257 179.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.9 t -127.61 128.79 69.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 N-CA-C 115.612 1.708 . . . . 45.5 115.612 -172.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.35 146.75 63.36 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 114.512 -1.222 . . . . 100.0 113.257 178.231 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -64.22 145.2 88.47 Favored 'Trans proline' 0 N--CA 1.441 -1.563 0 C-N-CA 123.671 2.914 . . . . 40.340000000000003 109.429 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TRP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 59' ' ' PRO . 74.0 t90 -130.09 119.86 18.98 Favored Pre-proline 0 CA--C 1.487 -1.48 0 N-CA-C 105.244 -2.132 . . . . 35.829999999999998 105.244 177.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' TRP . 4.5 Cg_endo -96.59 174.1 11.35 Favored 'Cis proline' 0 N--CA 1.423 -2.675 1 C-N-CA 117.033 -4.153 . . . . 57.560000000000002 113.73 7.228 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . 0.459 ' O ' ' OXT' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -62.24 137.21 58.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 108.985 -3.734 . . . . 100.0 115.357 -177.543 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' OXT' ' O ' ' A' ' 60' ' ' SER . 1.2 p30 . . . . . 0 C--O 1.262 1.721 0 CA-C-O 112.374 -3.679 . . . . 100.0 118.174 172.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' SO4 . . . . . 0.508 ' O2 ' ' HE3' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.769 ' O ' ' HB3' ' A' ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.419 -1.978 0 N-CA-C 106.759 -1.571 . . . . 48.799999999999997 106.759 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.769 ' HB3' ' O ' ' A' ' 102' ' ' HOH . 3.4 pm0 -78.05 156.27 30.16 Favored 'General case' 0 CA--C 1.571 1.751 0 CA-C-O 118.907 -0.568 . . . . 92.819999999999993 111.745 173.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -96.41 151.37 19.62 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 106.049 -1.834 . . . . 60.630000000000003 106.049 161.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.1 ttm180 -144.5 117.88 9.05 Favored 'General case' 0 C--N 1.3 -1.581 0 C-N-CA 123.719 0.808 . . . . 50.549999999999997 111.338 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -132.18 148.16 32.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 C-N-CA 127.101 2.16 . . . . 64.099999999999994 112.512 -169.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.4 p -73.51 152.0 40.83 Favored 'General case' 0 C--O 1.247 0.961 0 C-N-CA 117.06 -1.856 . . . . 27.129999999999999 110.248 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.8 tp -49.42 -52.14 30.73 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-O 123.942 1.829 . . . . 25.09 111.234 176.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -54.37 -50.98 66.21 Favored 'General case' 0 C--O 1.217 -0.621 0 O-C-N 120.44 -1.413 . . . . 100.0 114.037 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -64.67 -38.98 92.85 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 119.254 -2.154 . . . . 66.930000000000007 111.035 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -60.29 -52.2 66.29 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 115.313 -0.858 . . . . 33.280000000000001 109.739 -178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.83 -37.85 80.36 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.289 0.566 . . . . 31.949999999999999 111.886 -178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.1 ttm -64.99 -43.44 92.57 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-O 124.001 1.858 . . . . 86.200000000000003 112.214 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.583 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -76.09 -41.81 49.2 Favored 'General case' 0 N--CA 1.428 -1.553 0 O-C-N 119.515 -1.991 . . . . 100.0 114.487 176.963 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -96.62 -11.05 25.79 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 118.932 2.938 . . . . 61.32 118.932 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.79 138.59 9.82 Favored Glycine 0 C--N 1.296 -1.642 0 O-C-N 116.908 -3.62 . . . . 30.300000000000001 111.987 -177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' NE2' HE21 ' A' ' 27' ' ' GLN . 12.3 mt-30 -58.76 -36.46 74.41 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-O 123.963 1.839 . . . . 100.0 112.617 -178.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 97.6 m -63.52 -52.35 61.56 Favored 'General case' 0 N--CA 1.421 -1.886 0 CA-C-O 124.793 2.235 . . . . 46.270000000000003 112.774 -177.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -63.78 -33.56 75.93 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 117.34 -1.744 . . . . 59.049999999999997 111.397 -178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 98.8 m -61.93 -46.57 88.73 Favored 'General case' 0 C--O 1.253 1.267 0 CA-C-O 123.454 1.597 . . . . 26.059999999999999 110.315 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' GLY . . . -59.55 -47.56 85.06 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 127.376 3.465 . . . . 26.280000000000001 109.617 -176.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.508 ' HE3' ' O2 ' ' A' ' 200' ' ' SO4 . 11.6 tttm -60.11 -49.8 76.21 Favored 'General case' 0 C--O 1.193 -1.898 0 CA-C-N 110.641 -2.982 . . . . 100.0 111.875 179.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -52.87 -40.79 63.72 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 125.473 1.509 . . . . 32.689999999999998 111.567 176.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.6 mt -93.11 -12.04 31.41 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.376 -1.329 . . . . 31.52 112.579 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 20' ' ' ALA . . . 72.02 28.29 68.81 Favored Glycine 0 N--CA 1.437 -1.299 0 C-N-CA 119.123 -1.513 . . . . 28.239999999999998 113.707 -175.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.89 166.1 3.33 Favored 'Isoleucine or valine' 0 C--N 1.359 0.99 0 CA-C-N 120.586 2.193 . . . . 27.350000000000001 111.585 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -69.83 126.19 28.99 Favored 'General case' 0 C--O 1.256 1.401 0 N-CA-C 105.477 -2.046 . . . . 81.799999999999997 105.477 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.463 HE21 ' NE2' ' A' ' 16' ' ' GLN . 42.3 tt0 -46.02 -40.71 10.96 Favored 'General case' 0 CA--C 1.493 -1.233 0 N-CA-C 117.954 2.576 . . . . 89.980000000000004 117.954 -170.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' ' 32' ' ' LYS 0.31 1.4 p -71.32 -18.68 62.38 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 116.878 -1.929 . . . . 39.329999999999998 113.287 -173.181 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.48 -30.14 70.42 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.78 0.8 . . . . 26.600000000000001 113.001 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.1 mm -62.83 -55.85 21.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 125.513 2.578 . . . . 35.259999999999998 110.067 179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' HB2' ' OE1' ' A' ' 16' ' ' GLN 0.258 4.1 t-20 -56.16 -47.82 77.51 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 111.557 -2.565 . . . . 82.950000000000003 111.086 -178.522 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 28' ' ' SER . 3.2 mttt -62.18 -35.94 80.36 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 119.36 -2.088 . . . . 95.790000000000006 115.389 176.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.63 -37.02 73.73 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 120.256 -1.527 . . . . 34.399999999999999 110.502 -177.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 34.2 mt -61.86 -67.11 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 CA-C-N 113.661 -1.609 . . . . 54.630000000000003 110.201 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 45.1 t-80 -49.28 -27.4 3.79 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 114.355 -1.293 . . . . 94.620000000000005 111.282 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 5.99 47.5 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.499 1.045 . . . . 52.43 112.555 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.08 45.49 42.5 Favored Glycine 0 C--O 1.211 -1.341 0 N-CA-C 115.708 1.043 . . . . 47.689999999999998 115.708 -178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.07 157.59 29.49 Favored 'General case' 0 C--O 1.223 -0.309 0 C-N-CA 113.298 -3.361 . . . . 58.57 111.541 174.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.5 mtpp -88.45 77.48 8.08 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.8 1.24 . . . . 100.0 113.388 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.0 mt -115.0 129.2 71.59 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 C-N-CA 127.573 2.349 . . . . 29.82 112.23 -174.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -127.87 138.95 52.86 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-N 114.251 -1.34 . . . . 29.390000000000001 108.484 -175.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mp -102.29 142.79 32.96 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.425 -1.261 . . . . 34.149999999999999 108.194 176.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.1 m -109.78 124.76 51.84 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.066 1.346 . . . . 29.59 108.104 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.4 mt -105.41 110.63 31.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 O-C-N 120.32 -1.488 . . . . 36.450000000000003 109.409 -178.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.8 m-80 -73.36 166.17 23.69 Favored 'General case' 0 N--CA 1.435 -1.215 0 C-N-CA 118.475 -1.29 . . . . 77.959999999999994 112.594 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -67.49 -34.49 77.26 Favored 'General case' 0 C--O 1.244 0.784 0 O-C-N 125.857 1.973 . . . . 73.299999999999997 112.548 -175.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -73.84 -1.72 20.65 Favored 'General case' 0 N--CA 1.436 -1.157 0 CA-C-N 113.668 -1.605 . . . . 100.0 111.343 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.73 -8.43 63.72 Favored Glycine 0 C--N 1.347 1.141 0 N-CA-C 116.469 1.348 . . . . 57.840000000000003 116.469 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.9 p -69.62 150.87 46.58 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.378 0.881 . . . . 65.480000000000004 113.378 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.28 142.81 42.51 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.389 0 CA-C-O 117.056 -1.45 . . . . 32.509999999999998 112.221 -175.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -139.47 153.76 47.6 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.783 2.033 . . . . 37.920000000000002 112.204 169.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -119.26 153.58 34.79 Favored 'General case' 0 C--O 1.247 0.936 0 C-N-CA 118.544 -1.262 . . . . 26.949999999999999 111.254 179.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -148.03 145.85 28.65 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 123.138 1.447 . . . . 36.340000000000003 110.716 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . 0.273 42.8 tt0 -102.44 136.89 41.47 Favored 'General case' 0 N--CA 1.426 -1.645 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177.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' TRP . 4.5 Cg_endo -96.59 174.1 11.35 Favored 'Cis proline' 0 N--CA 1.423 -2.675 1 C-N-CA 117.033 -4.153 . . . . 57.560000000000002 113.73 7.228 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . 0.459 ' O ' ' OXT' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -62.24 137.21 58.22 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-N 108.985 -3.734 . . . . 100.0 115.357 -177.543 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.459 ' OXT' ' O ' ' A' ' 60' ' ' SER . 1.2 p30 . . . . . 0 C--O 1.262 1.721 0 CA-C-O 112.374 -3.679 . . . . 100.0 118.174 172.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' SO4 . . . . . 0.508 ' O2 ' ' HE3' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . 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. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_