data_1w5i_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 1w5i _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' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.567 1.691 . . . . 101.84999999999999 115.567 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . 1.393 ' CE ' ' SD ' ' A' ' 2' ' ' MET . 7.2 mmt -62.18 -55.93 23.79 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.484 1.114 . . . . 77.359999999999999 113.641 171.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -47.4 -50.01 23.52 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 118.963 2.949 . . . . 63.399999999999999 118.963 170.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -28.73 60.26 Favored 'General case' 0 CA--C 1.607 3.156 0 N-CA-C 117.281 2.326 . . . . 70.519999999999996 117.281 167.189 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.4 mt -75.89 -46.7 34.59 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.64 0 C-N-CA 124.699 1.2 . . . . 41.090000000000003 113.943 172.628 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -63.87 -41.97 97.63 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 126.029 1.732 . . . . 59.829999999999998 107.263 -179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.07 -49.77 62.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 116.202 1.927 . . . . 37.469999999999999 116.202 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -65.83 -39.35 90.75 Favored 'General case' 0 C--O 1.186 -2.252 0 N-CA-C 114.447 1.277 . . . . 59.119999999999997 114.447 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.84 -45.08 82.6 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 117.829 2.529 . . . . 32.729999999999997 117.829 169.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -57.22 -42.77 81.99 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-N 114.673 -1.149 . . . . 38.530000000000001 108.894 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -69.02 -42.99 75.65 Favored 'General case' 0 C--O 1.173 -2.955 0 CA-C-O 122.181 0.991 . . . . 39.770000000000003 108.677 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -54.75 -52.17 44.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.704 0 O-C-N 118.697 -2.502 . . . . 28.280000000000001 112.065 173.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.66 -41.88 61.69 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 116.484 2.031 . . . . 39.170000000000002 116.484 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -62.06 -43.32 99.09 Favored 'General case' 0 C--O 1.197 -1.687 0 C-N-CA 125.506 1.522 . . . . 27.239999999999998 111.012 -177.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -53.47 -37.34 62.59 Favored 'General case' 0 CA--C 1.44 -3.273 0 N-CA-C 119.475 3.139 . . . . 54.399999999999999 119.475 162.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.8 -38.56 73.36 Favored 'General case' 0 C--N 1.272 -2.789 0 N-CA-C 114.577 1.325 . . . . 26.170000000000002 114.577 173.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -61.57 -43.78 98.23 Favored 'General case' 0 C--O 1.165 -3.373 0 N-CA-C 106.6 -1.63 . . . . 35.229999999999997 106.6 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -66.12 -41.41 90.55 Favored 'General case' 0 C--O 1.18 -2.566 0 O-C-N 120.214 -1.554 . . . . 45.149999999999999 109.314 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mt -55.82 -41.7 67.46 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 N-CA-C 116.626 2.084 . . . . 30.649999999999999 116.626 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -59.27 -44.43 92.43 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 115.898 -0.592 . . . . 41.57 112.579 173.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.54 -35.41 79.36 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 119.573 3.175 . . . . 43.200000000000003 119.573 171.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.95 -44.49 91.43 Favored 'General case' 0 N--CA 1.536 3.84 0 O-C-N 124.384 1.052 . . . . 30.890000000000001 108.653 169.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.44 -26.53 60.98 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 118.74 -1.184 . . . . 32.840000000000003 113.951 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.63 96.68 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.246 -1.534 . . . . 36.329999999999998 111.607 168.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.1 -50.25 56.04 Favored 'General case' 0 CA--C 1.463 -2.39 0 O-C-N 118.93 -2.356 . . . . 61.909999999999997 109.679 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -54.02 -42.14 53.25 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.353 0 N-CA-C 117.407 2.373 . . . . 39.869999999999997 117.407 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -61.39 -49.79 75.49 Favored 'General case' 0 C--O 1.177 -2.726 0 O-C-N 120.003 -1.686 . . . . 56.68 111.004 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -52.81 -45.26 67.18 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 117.875 2.546 . . . . 69.299999999999997 117.875 166.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.28 -18.52 38.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 123.232 1.492 . . . . 56.700000000000003 113.233 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 mt -97.16 -5.35 37.37 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 120.835 -1.166 . . . . 53.590000000000003 110.107 -174.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.73 7.84 70.82 Favored Glycine 0 C--O 1.192 -2.527 0 C-N-CA 120.356 -0.925 . . . . 58.68 115.366 -177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.267 1.991 0 O-C-N 120.037 -1.861 . . . . 58.020000000000003 113.518 173.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 . . . . . 0 N--CA 1.525 3.296 0 N-CA-C 119.707 3.225 . . . . 81.739999999999995 119.707 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . 0.432 ' CE ' ' SD ' ' A' ' 2' ' ' MET . 18.1 tpp -55.44 -32.35 62.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 122.235 2.289 . . . . 82.760000000000005 116.199 165.116 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -43.43 62.49 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 102.317 -3.216 . . . . 71.079999999999998 102.317 -178.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . . . -59.17 -39.32 82.12 Favored 'General case' 0 C--O 1.183 -2.424 0 O-C-N 124.852 1.345 . . . . 53.299999999999997 110.326 179.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -65.43 -43.46 94.63 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 123.66 1.695 . . . . 45.939999999999998 110.117 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.65 -27.09 61.91 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 110.737 -2.938 . . . . 64.140000000000001 109.528 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -70.5 -37.17 74.14 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.461 0.912 . . . . 56.32 113.461 172.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -42.22 42.82 Favored 'General case' 0 N--CA 1.392 -3.346 0 CA-C-N 112.346 -2.207 . . . . 53.329999999999998 106.723 -172.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 mt -51.89 -54.49 28.62 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-O 118.443 -0.789 . . . . 36.780000000000001 111.285 168.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.95 -28.22 69.93 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 117.573 2.434 . . . . 63.460000000000001 117.573 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.05 -35.62 59.38 Favored 'General case' 1 C--O 1.141 -4.624 0 CA-C-N 113.286 -1.779 . . . . 55.799999999999997 109.1 -178.268 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.64 -43.39 93.89 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 C-N-CA 123.295 0.638 . . . . 29.52 109.581 174.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.38 -40.27 95.49 Favored 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 117.018 -1.468 . . . . 42.799999999999997 112.204 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -63.66 -48.13 78.45 Favored 'General case' 0 CA--C 1.436 -3.413 0 N-CA-C 118.523 2.786 . . . . 45.630000000000003 118.523 166.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -59.36 -33.5 71.24 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 115.806 -2.358 . . . . 41.0 114.879 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.74 -43.8 81.07 Favored 'General case' 1 N--CA 1.553 4.687 0 N-CA-C 117.311 2.337 . . . . 32.68 117.311 167.265 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -69.13 -41.69 77.02 Favored 'General case' 0 N--CA 1.409 -2.491 0 N-CA-C 103.333 -2.84 . . . . 53.25 103.333 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -60.6 -37.93 83.0 Favored 'General case' 0 C--O 1.272 2.238 0 O-C-N 118.903 -2.373 . . . . 33.890000000000001 116.724 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.28 -49.34 84.97 Favored 'Isoleucine or valine' 0 C--O 1.259 1.588 0 CA-C-O 123.29 1.519 . . . . 28.640000000000001 113.322 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -56.64 -38.3 71.95 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 117.048 2.24 . . . . 40.25 117.048 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -73.63 -31.88 63.76 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 123.779 1.752 . . . . 29.739999999999998 115.498 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.24 -37.19 69.2 Favored 'General case' 0 N--CA 1.519 2.995 0 O-C-N 120.564 -1.335 . . . . 38.600000000000001 110.933 169.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.46 -38.21 88.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.802 2.519 . . . . 29.73 117.802 168.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.74 72.99 Favored 'General case' 0 C--O 1.265 1.888 0 CA-C-N 114.207 -1.36 . . . . 32.509999999999998 108.711 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -65.03 -32.88 74.81 Favored 'General case' 0 N--CA 1.537 3.89 0 C-N-CA 115.964 -2.294 . . . . 51.43 114.562 169.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mt -71.66 -39.28 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.423 -3.921 0 O-C-N 118.689 -2.507 . . . . 39.700000000000003 106.646 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -63.74 -42.81 97.81 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 118.184 -1.406 . . . . 60.43 110.987 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -63.42 -44.87 93.37 Favored 'General case' 0 C--O 1.171 -3.055 0 N-CA-C 107.042 -1.466 . . . . 48.350000000000001 107.042 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 20.0 mt -60.0 -41.42 92.04 Favored 'General case' 0 CA--C 1.592 2.589 0 O-C-N 120.618 -1.301 . . . . 64.239999999999995 112.014 -178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.99 -27.67 61.08 Favored 'General case' 0 N--CA 1.409 -2.483 0 O-C-N 119.719 -1.863 . . . . 60.68 115.15 171.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.46 -18.83 78.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 122.478 2.399 . . . . 64.790000000000006 115.65 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . -107.3 -4.11 19.0 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.106 0.955 . . . . 74.069999999999993 111.092 -173.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.576 1.962 0 C-N-CA 126.291 1.837 . . . . 78.980000000000004 109.731 -179.494 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.567 1.691 . . . . 101.85 115.567 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . 1.393 ' CE ' ' SD ' ' A' ' 2' ' ' MET . 7.2 mmt -62.18 -55.93 23.79 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.484 1.114 . . . . 77.36 113.641 171.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -47.4 -50.01 23.52 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 118.963 2.949 . . . . 63.4 118.963 170.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -28.73 60.26 Favored 'General case' 0 CA--C 1.607 3.156 0 N-CA-C 117.281 2.326 . . . . 70.52 117.281 167.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.4 mt -75.89 -46.7 34.59 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.64 0 C-N-CA 124.699 1.2 . . . . 41.09 113.943 172.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -63.87 -41.97 97.63 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 126.029 1.732 . . . . 59.83 107.263 -179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.07 -49.77 62.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 116.202 1.927 . . . . 37.47 116.202 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -65.83 -39.35 90.75 Favored 'General case' 0 C--O 1.186 -2.252 0 N-CA-C 114.447 1.277 . . . . 59.12 114.447 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.84 -45.08 82.6 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 117.829 2.529 . . . . 32.73 117.829 169.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -57.22 -42.77 81.99 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-N 114.673 -1.149 . . . . 38.53 108.894 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -69.02 -42.99 75.65 Favored 'General case' 0 C--O 1.173 -2.955 0 CA-C-O 122.181 0.991 . . . . 39.77 108.677 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -54.75 -52.17 44.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.704 0 O-C-N 118.697 -2.502 . . . . 28.28 112.065 173.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.66 -41.88 61.69 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 116.484 2.031 . . . . 39.17 116.484 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -62.06 -43.32 99.09 Favored 'General case' 0 C--O 1.197 -1.687 0 C-N-CA 125.506 1.522 . . . . 27.24 111.012 -177.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -53.47 -37.34 62.59 Favored 'General case' 0 CA--C 1.44 -3.273 0 N-CA-C 119.475 3.139 . . . . 54.4 119.475 162.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 91.2 mt -70.8 -38.56 73.36 Favored 'General case' 0 C--N 1.272 -2.789 0 N-CA-C 114.577 1.325 . . . . 26.17 114.577 173.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -61.57 -43.78 98.23 Favored 'General case' 0 C--O 1.165 -3.373 0 N-CA-C 106.6 -1.63 . . . . 35.23 106.6 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -66.12 -41.41 90.55 Favored 'General case' 0 C--O 1.18 -2.566 0 O-C-N 120.214 -1.554 . . . . 45.15 109.314 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mt -55.82 -41.7 67.46 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 N-CA-C 116.626 2.084 . . . . 30.65 116.626 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.8 mm-40 -59.27 -44.43 92.43 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 115.898 -0.592 . . . . 41.57 112.579 173.479 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.54 -35.41 79.36 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 119.573 3.175 . . . . 43.2 119.573 171.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.95 -44.49 91.43 Favored 'General case' 0 N--CA 1.536 3.84 0 O-C-N 124.384 1.052 . . . . 30.89 108.653 169.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.44 -26.53 60.98 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 118.74 -1.184 . . . . 32.84 113.951 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.63 96.68 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.246 -1.534 . . . . 36.33 111.607 168.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.1 -50.25 56.04 Favored 'General case' 0 CA--C 1.463 -2.39 0 O-C-N 118.93 -2.356 . . . . 61.91 109.679 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -54.02 -42.14 53.25 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.353 0 N-CA-C 117.407 2.373 . . . . 39.87 117.407 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HD2' ' O ' ' B' 2002 ' ' HOH . 14.7 mtpt -61.39 -49.79 75.49 Favored 'General case' 0 C--O 1.177 -2.726 0 O-C-N 120.003 -1.686 . . . . 56.68 111.004 -178.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -52.81 -45.26 67.18 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 117.875 2.546 . . . . 69.3 117.875 166.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.28 -18.52 38.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 123.232 1.492 . . . . 56.7 113.233 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.43 ' HA ' HD23 ' A' ' 30' ' ' LEU . 14.4 mt -97.16 -5.35 37.37 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 120.835 -1.166 . . . . 53.59 110.107 -174.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.73 7.84 70.82 Favored Glycine 0 C--O 1.192 -2.527 0 C-N-CA 120.356 -0.925 . . . . 58.68 115.366 -177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.267 1.991 0 O-C-N 120.037 -1.861 . . . . 58.02 113.518 173.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 . . . . . 0 N--CA 1.525 3.296 0 N-CA-C 119.707 3.225 . . . . 81.74 119.707 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.432 ' CE ' ' SD ' ' A' ' 2' ' ' MET . 18.1 tpp -55.44 -32.35 62.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 122.235 2.289 . . . . 82.76 116.199 165.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER -72.9 -43.43 62.49 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 102.317 -3.216 . . . . 71.08 102.317 -178.431 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' B' ' 3' ' ' LYS . . . -59.17 -39.32 82.12 Favored 'General case' 0 C--O 1.183 -2.424 0 O-C-N 124.852 1.345 . . . . 53.3 110.326 179.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -65.43 -43.46 94.63 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 123.66 1.695 . . . . 45.94 110.117 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.65 -27.09 61.91 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 110.737 -2.938 . . . . 64.14 109.528 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -70.5 -37.17 74.14 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.461 0.912 . . . . 56.32 113.461 172.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -42.22 42.82 Favored 'General case' 0 N--CA 1.392 -3.346 0 CA-C-N 112.346 -2.207 . . . . 53.33 106.723 -172.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 mt -51.89 -54.49 28.62 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-O 118.443 -0.789 . . . . 36.78 111.285 168.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.95 -28.22 69.93 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 117.573 2.434 . . . . 63.46 117.573 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.05 -35.62 59.38 Favored 'General case' 1 C--O 1.141 -4.624 0 CA-C-N 113.286 -1.779 . . . . 55.8 109.1 -178.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.64 -43.39 93.89 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 C-N-CA 123.295 0.638 . . . . 29.52 109.581 174.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.38 -40.27 95.49 Favored 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 117.018 -1.468 . . . . 42.8 112.204 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -63.66 -48.13 78.45 Favored 'General case' 0 CA--C 1.436 -3.413 0 N-CA-C 118.523 2.786 . . . . 45.63 118.523 166.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -59.36 -33.5 71.24 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 115.806 -2.358 . . . . 41.0 114.879 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.74 -43.8 81.07 Favored 'General case' 1 N--CA 1.553 4.687 0 N-CA-C 117.311 2.337 . . . . 32.68 117.311 167.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -69.13 -41.69 77.02 Favored 'General case' 0 N--CA 1.409 -2.491 0 N-CA-C 103.333 -2.84 . . . . 53.25 103.333 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -60.6 -37.93 83.0 Favored 'General case' 0 C--O 1.272 2.238 0 O-C-N 118.903 -2.373 . . . . 33.89 116.724 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.28 -49.34 84.97 Favored 'Isoleucine or valine' 0 C--O 1.259 1.588 0 CA-C-O 123.29 1.519 . . . . 28.64 113.322 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -56.64 -38.3 71.95 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 117.048 2.24 . . . . 40.25 117.048 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -73.63 -31.88 63.76 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 123.779 1.752 . . . . 29.74 115.498 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.24 -37.19 69.2 Favored 'General case' 0 N--CA 1.519 2.995 0 O-C-N 120.564 -1.335 . . . . 38.6 110.933 169.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.46 -38.21 88.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.802 2.519 . . . . 29.73 117.802 168.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.74 72.99 Favored 'General case' 0 C--O 1.265 1.888 0 CA-C-N 114.207 -1.36 . . . . 32.51 108.711 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' B' ' 29' ' ' LEU . 33.9 ttt180 -65.03 -32.88 74.81 Favored 'General case' 0 N--CA 1.537 3.89 0 C-N-CA 115.964 -2.294 . . . . 51.43 114.562 169.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mt -71.66 -39.28 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.423 -3.921 0 O-C-N 118.689 -2.507 . . . . 39.7 106.646 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -63.74 -42.81 97.81 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 118.184 -1.406 . . . . 60.43 110.987 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -63.42 -44.87 93.37 Favored 'General case' 0 C--O 1.171 -3.055 0 N-CA-C 107.042 -1.466 . . . . 48.35 107.042 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 25' ' ' ARG . 20.0 mt -60.0 -41.42 92.04 Favored 'General case' 0 CA--C 1.592 2.589 0 O-C-N 120.618 -1.301 . . . . 64.24 112.014 -178.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.99 -27.67 61.08 Favored 'General case' 0 N--CA 1.409 -2.483 0 O-C-N 119.719 -1.863 . . . . 60.68 115.15 171.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.46 -18.83 78.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 122.478 2.399 . . . . 64.79 115.65 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . -107.3 -4.11 19.0 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.106 0.955 . . . . 74.07 111.092 -173.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.576 1.962 0 C-N-CA 126.291 1.837 . . . . 78.98 109.731 -179.494 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . 0.483 ' O ' ' HD2' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.507 2.403 0 N-CA-C 115.567 1.691 . . . . 101.84999999999999 115.567 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . 1.393 ' CE ' ' SD ' ' A' ' 2' ' ' MET . 7.2 mmt -62.18 -55.93 23.79 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.484 1.114 . . . . 77.359999999999999 113.641 171.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -47.4 -50.01 23.52 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 118.963 2.949 . . . . 63.399999999999999 118.963 170.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -28.73 60.26 Favored 'General case' 0 CA--C 1.607 3.156 0 N-CA-C 117.281 2.326 . . . . 70.519999999999996 117.281 167.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.4 mt -75.89 -46.7 34.59 Favored 'Isoleucine or valine' 1 C--O 1.141 -4.64 0 C-N-CA 124.699 1.2 . . . . 41.090000000000003 113.943 172.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -63.87 -41.97 97.63 Favored 'General case' 0 C--O 1.187 -2.193 0 C-N-CA 126.029 1.732 . . . . 59.829999999999998 107.263 -179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.07 -49.77 62.85 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 116.202 1.927 . . . . 37.469999999999999 116.202 174.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -65.83 -39.35 90.75 Favored 'General case' 0 C--O 1.186 -2.252 0 N-CA-C 114.447 1.277 . . . . 59.119999999999997 114.447 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.5 mt -56.84 -45.08 82.6 Favored 'General case' 0 CA--C 1.476 -1.885 0 N-CA-C 117.829 2.529 . . . . 32.729999999999997 117.829 169.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -57.22 -42.77 81.99 Favored 'General case' 0 N--CA 1.511 2.605 0 CA-C-N 114.673 -1.149 . . . . 38.530000000000001 108.894 171.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -69.02 -42.99 75.65 Favored 'General case' 0 C--O 1.173 -2.955 0 CA-C-O 122.181 0.991 . . . . 39.770000000000003 108.677 -177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 15.6 mt -54.75 -52.17 44.69 Favored 'Isoleucine or valine' 0 C--O 1.28 2.704 0 O-C-N 118.697 -2.502 . . . . 28.280000000000001 112.065 173.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.66 -41.88 61.69 Favored 'General case' 0 N--CA 1.499 2.023 0 N-CA-C 116.484 2.031 . . . . 39.170000000000002 116.484 177.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.5 t -62.06 -43.32 99.09 Favored 'General case' 0 C--O 1.197 -1.687 0 C-N-CA 125.506 1.522 . . . . 27.239999999999998 111.012 -177.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -53.47 -37.34 62.59 Favored 'General case' 0 CA--C 1.44 -3.273 0 N-CA-C 119.475 3.139 . . . . 54.399999999999999 119.475 162.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' O ' ' HG2' ' A' ' 20' ' ' GLU . 91.2 mt -70.8 -38.56 73.36 Favored 'General case' 0 C--N 1.272 -2.789 0 N-CA-C 114.577 1.325 . . . . 26.170000000000002 114.577 173.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -61.57 -43.78 98.23 Favored 'General case' 0 C--O 1.165 -3.373 0 N-CA-C 106.6 -1.63 . . . . 35.229999999999997 106.6 169.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -66.12 -41.41 90.55 Favored 'General case' 0 C--O 1.18 -2.566 0 O-C-N 120.214 -1.554 . . . . 45.149999999999999 109.314 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mt -55.82 -41.7 67.46 Favored 'Isoleucine or valine' 0 C--O 1.251 1.162 0 N-CA-C 116.626 2.084 . . . . 30.649999999999999 116.626 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 16' ' ' LEU . 13.8 mm-40 -59.27 -44.43 92.43 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-N 115.898 -0.592 . . . . 41.57 112.579 173.479 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.54 -35.41 79.36 Favored 'General case' 0 C--N 1.286 -2.156 0 N-CA-C 119.573 3.175 . . . . 43.200000000000003 119.573 171.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -58.95 -44.49 91.43 Favored 'General case' 0 N--CA 1.536 3.84 0 O-C-N 124.384 1.052 . . . . 30.890000000000001 108.653 169.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.44 -26.53 60.98 Favored 'General case' 0 N--CA 1.52 3.06 0 C-N-CA 118.74 -1.184 . . . . 32.840000000000003 113.951 -178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.34 -41.63 96.68 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 120.246 -1.534 . . . . 36.329999999999998 111.607 168.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -68.1 -50.25 56.04 Favored 'General case' 0 CA--C 1.463 -2.39 0 O-C-N 118.93 -2.356 . . . . 61.909999999999997 109.679 178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.5 mt -54.02 -42.14 53.25 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.353 0 N-CA-C 117.407 2.373 . . . . 39.869999999999997 117.407 174.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HD2' ' O ' ' B' 2002 ' ' HOH . 14.7 mtpt -61.39 -49.79 75.49 Favored 'General case' 0 C--O 1.177 -2.726 0 O-C-N 120.003 -1.686 . . . . 56.68 111.004 -178.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -52.81 -45.26 67.18 Favored 'General case' 0 N--CA 1.511 2.579 0 N-CA-C 117.875 2.546 . . . . 69.299999999999997 117.875 166.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.8 mt -59.28 -18.52 38.25 Favored 'General case' 0 C--N 1.31 -1.135 0 CA-C-O 123.232 1.492 . . . . 56.700000000000003 113.233 170.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 30' ' ' LEU . 14.4 mt -97.16 -5.35 37.37 Favored 'General case' 0 CA--C 1.571 1.755 0 O-C-N 120.835 -1.166 . . . . 53.590000000000003 110.107 -174.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.73 7.84 70.82 Favored Glycine 0 C--O 1.192 -2.527 0 C-N-CA 120.356 -0.925 . . . . 58.68 115.366 -177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.267 1.991 0 O-C-N 120.037 -1.861 . . . . 58.020000000000003 113.518 173.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 . . . . . 0 N--CA 1.525 3.296 0 N-CA-C 119.707 3.225 . . . . 81.739999999999995 119.707 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.432 ' CE ' ' SD ' ' A' ' 2' ' ' MET . 18.1 tpp -55.44 -32.35 62.67 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 122.235 2.289 . . . . 82.760000000000005 116.199 165.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' B' ' 4' ' ' GLN . 0.0 OUTLIER -72.9 -43.43 62.49 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 102.317 -3.216 . . . . 71.079999999999998 102.317 -178.431 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' B' ' 3' ' ' LYS . . . -59.17 -39.32 82.12 Favored 'General case' 0 C--O 1.183 -2.424 0 O-C-N 124.852 1.345 . . . . 53.299999999999997 110.326 179.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 15.2 mt -65.43 -43.46 94.63 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 CA-C-O 123.66 1.695 . . . . 45.939999999999998 110.117 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.65 -27.09 61.91 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 110.737 -2.938 . . . . 64.140000000000001 109.528 -174.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -70.5 -37.17 74.14 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 113.461 0.912 . . . . 56.32 113.461 172.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.65 -42.22 42.82 Favored 'General case' 0 N--CA 1.392 -3.346 0 CA-C-N 112.346 -2.207 . . . . 53.329999999999998 106.723 -172.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 51.5 mt -51.89 -54.49 28.62 Favored 'General case' 0 CA--C 1.492 -1.272 0 CA-C-O 118.443 -0.789 . . . . 36.780000000000001 111.285 168.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.95 -28.22 69.93 Favored 'General case' 0 C--N 1.279 -2.472 0 N-CA-C 117.573 2.434 . . . . 63.460000000000001 117.573 178.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -76.05 -35.62 59.38 Favored 'General case' 1 C--O 1.141 -4.624 0 CA-C-N 113.286 -1.779 . . . . 55.799999999999997 109.1 -178.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.7 mt -65.64 -43.39 93.89 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.267 0 C-N-CA 123.295 0.638 . . . . 29.52 109.581 174.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.38 -40.27 95.49 Favored 'General case' 0 CA--C 1.46 -2.483 0 CA-C-O 117.018 -1.468 . . . . 42.799999999999997 112.204 179.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 3.9 m -63.66 -48.13 78.45 Favored 'General case' 0 CA--C 1.436 -3.413 0 N-CA-C 118.523 2.786 . . . . 45.630000000000003 118.523 166.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -59.36 -33.5 71.24 Favored 'General case' 0 CA--C 1.477 -1.847 0 C-N-CA 115.806 -2.358 . . . . 41.0 114.879 175.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.9 mt -56.74 -43.8 81.07 Favored 'General case' 1 N--CA 1.553 4.687 0 N-CA-C 117.311 2.337 . . . . 32.68 117.311 167.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -69.13 -41.69 77.02 Favored 'General case' 0 N--CA 1.409 -2.491 0 N-CA-C 103.333 -2.84 . . . . 53.25 103.333 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -60.6 -37.93 83.0 Favored 'General case' 0 C--O 1.272 2.238 0 O-C-N 118.903 -2.373 . . . . 33.890000000000001 116.724 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.28 -49.34 84.97 Favored 'Isoleucine or valine' 0 C--O 1.259 1.588 0 CA-C-O 123.29 1.519 . . . . 28.640000000000001 113.322 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -56.64 -38.3 71.95 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 117.048 2.24 . . . . 40.25 117.048 178.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -73.63 -31.88 63.76 Favored 'General case' 0 C--O 1.273 2.321 0 CA-C-O 123.779 1.752 . . . . 29.739999999999998 115.498 177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -72.24 -37.19 69.2 Favored 'General case' 0 N--CA 1.519 2.995 0 O-C-N 120.564 -1.335 . . . . 38.600000000000001 110.933 169.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.46 -38.21 88.91 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 117.802 2.519 . . . . 29.73 117.802 168.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.9 -37.74 72.99 Favored 'General case' 0 C--O 1.265 1.888 0 CA-C-N 114.207 -1.36 . . . . 32.509999999999998 108.711 -178.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' HG ' ' B' ' 29' ' ' LEU . 33.9 ttt180 -65.03 -32.88 74.81 Favored 'General case' 0 N--CA 1.537 3.89 0 C-N-CA 115.964 -2.294 . . . . 51.43 114.562 169.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 41.3 mt -71.66 -39.28 69.12 Favored 'Isoleucine or valine' 0 CA--C 1.423 -3.921 0 O-C-N 118.689 -2.507 . . . . 39.700000000000003 106.646 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -63.74 -42.81 97.81 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 118.184 -1.406 . . . . 60.43 110.987 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -63.42 -44.87 93.37 Favored 'General case' 0 C--O 1.171 -3.055 0 N-CA-C 107.042 -1.466 . . . . 48.350000000000001 107.042 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' B' ' 25' ' ' ARG . 20.0 mt -60.0 -41.42 92.04 Favored 'General case' 0 CA--C 1.592 2.589 0 O-C-N 120.618 -1.301 . . . . 64.239999999999995 112.014 -178.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.99 -27.67 61.08 Favored 'General case' 0 N--CA 1.409 -2.483 0 O-C-N 119.719 -1.863 . . . . 60.68 115.15 171.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.46 -18.83 78.82 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 122.478 2.399 . . . . 64.790000000000006 115.65 -178.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . -107.3 -4.11 19.0 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-O 122.106 0.955 . . . . 74.069999999999993 111.092 -173.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.576 1.962 0 C-N-CA 126.291 1.837 . . . . 78.980000000000004 109.731 -179.494 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . 0.483 ' O ' ' HD2' ' A' ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_