data_2on8_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 2on8 _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 . . . . . 0.506 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 8.0 mtp . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 102.903 -2.999 . . . . 42.299999999999997 102.903 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -85.03 126.14 33.31 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.177 -1.416 . . . . 51.299999999999997 107.177 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -113.99 150.79 33.33 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.763 -1.108 . . . . 17.949999999999999 108.71 170.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -122.47 147.39 46.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.098 0.874 . . . . 29.25 111.375 -178.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -120.82 121.91 39.16 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.799 -1.546 . . . . 16.329999999999998 110.279 171.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.2 mt -92.57 124.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.62 1.168 . . . . 20.920000000000002 108.388 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mt -107.44 116.38 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.625 0 N-CA-C 106.442 -1.688 . . . . 27.309999999999999 106.442 -178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -115.97 78.34 1.18 Allowed 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.155 -2.165 . . . . 46.950000000000003 105.155 172.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 174.6 22.89 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-O 122.349 0.972 . . . . 35.149999999999999 112.109 -174.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.98 -36.45 69.81 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 113.921 -1.139 . . . . 41.439999999999998 112.045 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -114.41 -37.18 4.4 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.811 1.411 . . . . 46.189999999999998 114.811 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.05 137.87 45.3 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 123.312 1.529 . . . . 35.57 108.382 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -134.18 157.68 45.62 Favored 'General case' 0 C--N 1.283 -2.306 0 O-C-N 120.049 -1.657 . . . . 34.93 107.565 164.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.28 -153.65 25.19 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 117.362 -1.799 . . . . 19.210000000000001 114.223 173.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -147.9 136.5 21.7 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 126.742 2.084 . . . . 29.379999999999999 107.811 -177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.8 pt -129.17 150.57 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 109.039 -0.726 . . . . 27.800000000000001 109.039 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.3 p -122.75 146.66 47.31 Favored 'General case' 0 CA--C 1.486 -1.502 0 CA-C-N 114.567 -1.197 . . . . 28.559999999999999 112.396 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -150.38 167.64 26.47 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 115.347 -0.842 . . . . 23.48 109.044 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . 0.506 ' OE2' ' N ' ' A' ' 1' ' ' MET . 32.1 tp10 -94.38 134.39 36.93 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.063 -0.972 . . . . 32.159999999999997 109.497 -179.304 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.15 160.49 42.88 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-O 123.874 1.797 . . . . 19.809999999999999 106.756 172.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -76.7 -30.58 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.635 0 N-CA-C 114.903 1.445 . . . . 21.609999999999999 114.903 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -157.35 173.03 17.54 Favored 'General case' 0 N--CA 1.418 -2.058 0 C-N-CA 124.6 1.16 . . . . 21.539999999999999 111.877 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.46 86.51 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.202 -0.908 . . . . 16.98 113.194 -172.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.49 98.64 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 120.547 -1.345 . . . . 19.0 112.369 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.16 -41.15 86.47 Favored 'General case' 0 N--CA 1.433 -1.288 0 O-C-N 120.965 -1.084 . . . . 47.799999999999997 110.749 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.14 97.36 Favored 'General case' 0 C--O 1.259 1.556 0 C-N-CA 119.694 -0.802 . . . . 15.98 109.662 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -59.0 -44.16 91.63 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.753 1.16 . . . . 35.140000000000001 110.872 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -58.84 -48.59 80.82 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 122.012 0.91 . . . . 25.989999999999998 111.49 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -61.56 -41.18 97.0 Favored 'General case' 0 C--O 1.203 -1.354 0 O-C-N 121.126 -0.983 . . . . 39.890000000000001 112.91 -179.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -71.2 -33.22 69.72 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.051 0.76 . . . . 16.289999999999999 113.051 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -69.99 -34.66 73.63 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.146 -0.622 . . . . 30.34 111.56 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.42 -44.13 88.35 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.453 1.096 . . . . 23.539999999999999 108.338 173.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.2 -47.29 81.65 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 123.026 1.393 . . . . 19.07 111.013 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.63 90.41 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 118.24 -2.788 . . . . 20.379999999999999 111.545 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.73 -44.34 85.94 Favored 'General case' 0 CA--C 1.498 -1.022 0 O-C-N 121.867 -0.521 . . . . 26.280000000000001 112.283 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.56 -27.22 64.38 Favored 'General case' 0 CA--C 1.492 -1.265 0 C-N-CA 123.888 0.875 . . . . 27.66 113.227 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -105.17 5.92 32.63 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 115.324 1.601 . . . . 25.75 115.324 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.4 71.57 Favored Glycine 0 C--O 1.261 1.819 0 C-N-CA 117.666 -2.207 . . . . 31.449999999999999 117.474 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.02 126.45 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 N-CA-C 106.242 -1.762 . . . . 30.23 106.242 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.46 121.0 23.79 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.292 1.037 . . . . 54.049999999999997 108.418 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.27 21.9 Favored Glycine 0 CA--C 1.496 -1.113 0 CA-C-O 117.96 -1.467 . . . . 30.579999999999998 112.382 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -94.0 133.76 37.11 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 126.434 1.902 . . . . 54.969999999999999 109.666 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -106.92 134.48 50.0 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 125.639 1.837 . . . . 26.600000000000001 112.038 -175.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -129.59 158.19 40.0 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 124.909 1.284 . . . . 31.18 110.427 167.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -140.0 126.25 19.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.652 1.215 . . . . 23.25 110.477 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -106.1 107.15 18.01 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 123.431 1.586 . . . . 34.020000000000003 107.674 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.99 -32.71 73.3 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.98 -1.075 . . . . 44.979999999999997 111.361 -174.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.58 99.15 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 116.262 -2.175 . . . . 33.850000000000001 112.569 -177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -98.87 3.12 47.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.317 0.488 . . . . 26.440000000000001 112.317 -176.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 57.19 40.64 27.95 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 108.31 -0.996 . . . . 35.539999999999999 108.31 176.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.4 m -126.76 123.3 37.1 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.627 1.204 . . . . 17.859999999999999 112.762 -171.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -92.32 153.48 19.18 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 124.27 1.028 . . . . 15.359999999999999 109.711 169.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -129.98 133.44 46.78 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.321 -0.992 . . . . 22.100000000000001 108.321 169.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.6 p -116.17 126.83 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 N-CA-C 106.987 -1.486 . . . . 21.719999999999999 106.987 169.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -125.7 117.89 24.45 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 106.085 -1.82 . . . . 31.539999999999999 106.085 -172.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 CA--C 1.499 -1.006 0 CA-C-O 123.217 1.484 . . . . 42.689999999999998 107.177 -175.577 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 8.0 mtp . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 102.903 -2.999 . . . . 42.3 102.903 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -85.03 126.14 33.31 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.177 -1.416 . . . . 51.3 107.177 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -113.99 150.79 33.33 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.763 -1.108 . . . . 17.95 108.71 170.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.643 ' HD3' ' CD ' ' A' ' 15' ' ' GLU . 38.9 ttmt -122.47 147.39 46.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.098 0.874 . . . . 29.25 111.375 -178.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -120.82 121.91 39.16 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.799 -1.546 . . . . 16.33 110.279 171.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.2 mt -92.57 124.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.62 1.168 . . . . 20.92 108.388 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 105' ' ' HOH . 5.1 mt -107.44 116.38 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.625 0 N-CA-C 106.442 -1.688 . . . . 27.31 106.442 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -115.97 78.34 1.18 Allowed 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.155 -2.165 . . . . 46.95 105.155 172.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 174.6 22.89 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-O 122.349 0.972 . . . . 35.15 112.109 -174.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.98 -36.45 69.81 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 113.921 -1.139 . . . . 41.44 112.045 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -114.41 -37.18 4.4 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.811 1.411 . . . . 46.19 114.811 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.05 137.87 45.3 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 123.312 1.529 . . . . 35.57 108.382 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -134.18 157.68 45.62 Favored 'General case' 0 C--N 1.283 -2.306 0 O-C-N 120.049 -1.657 . . . . 34.93 107.565 164.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.28 -153.65 25.19 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 117.362 -1.799 . . . . 19.21 114.223 173.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.643 ' CD ' ' HD3' ' A' ' 4' ' ' LYS . 30.3 tt0 -147.9 136.5 21.7 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 126.742 2.084 . . . . 29.38 107.811 -177.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.8 pt -129.17 150.57 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 109.039 -0.726 . . . . 27.8 109.039 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.3 p -122.75 146.66 47.31 Favored 'General case' 0 CA--C 1.486 -1.502 0 CA-C-N 114.567 -1.197 . . . . 28.56 112.396 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -150.38 167.64 26.47 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 115.347 -0.842 . . . . 23.48 109.044 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 1' ' ' MET . 32.1 tp10 -94.38 134.39 36.93 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.063 -0.972 . . . . 32.16 109.497 -179.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.15 160.49 42.88 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-O 123.874 1.797 . . . . 19.81 106.756 172.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -76.7 -30.58 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.635 0 N-CA-C 114.903 1.445 . . . . 21.61 114.903 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -157.35 173.03 17.54 Favored 'General case' 0 N--CA 1.418 -2.058 0 C-N-CA 124.6 1.16 . . . . 21.54 111.877 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.46 86.51 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.202 -0.908 . . . . 16.98 113.194 -172.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.49 98.64 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 120.547 -1.345 . . . . 19.0 112.369 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.16 -41.15 86.47 Favored 'General case' 0 N--CA 1.433 -1.288 0 O-C-N 120.965 -1.084 . . . . 47.8 110.749 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.14 97.36 Favored 'General case' 0 C--O 1.259 1.556 0 C-N-CA 119.694 -0.802 . . . . 15.98 109.662 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -59.0 -44.16 91.63 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.753 1.16 . . . . 35.14 110.872 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -58.84 -48.59 80.82 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 122.012 0.91 . . . . 25.99 111.49 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -61.56 -41.18 97.0 Favored 'General case' 0 C--O 1.203 -1.354 0 O-C-N 121.126 -0.983 . . . . 39.89 112.91 -179.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -71.2 -33.22 69.72 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.051 0.76 . . . . 16.29 113.051 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -69.99 -34.66 73.63 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.146 -0.622 . . . . 30.34 111.56 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.42 -44.13 88.35 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.453 1.096 . . . . 23.54 108.338 173.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.2 -47.29 81.65 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 123.026 1.393 . . . . 19.07 111.013 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.63 90.41 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 118.24 -2.788 . . . . 20.38 111.545 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.73 -44.34 85.94 Favored 'General case' 0 CA--C 1.498 -1.022 0 O-C-N 121.867 -0.521 . . . . 26.28 112.283 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.56 -27.22 64.38 Favored 'General case' 0 CA--C 1.492 -1.265 0 C-N-CA 123.888 0.875 . . . . 27.66 113.227 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -105.17 5.92 32.63 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 115.324 1.601 . . . . 25.75 115.324 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.4 71.57 Favored Glycine 0 C--O 1.261 1.819 0 C-N-CA 117.666 -2.207 . . . . 31.45 117.474 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.02 126.45 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 N-CA-C 106.242 -1.762 . . . . 30.23 106.242 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.46 121.0 23.79 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.292 1.037 . . . . 54.05 108.418 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.27 21.9 Favored Glycine 0 CA--C 1.496 -1.113 0 CA-C-O 117.96 -1.467 . . . . 30.58 112.382 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -94.0 133.76 37.11 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 126.434 1.902 . . . . 54.97 109.666 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -106.92 134.48 50.0 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 125.639 1.837 . . . . 26.6 112.038 -175.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -129.59 158.19 40.0 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 124.909 1.284 . . . . 31.18 110.427 167.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -140.0 126.25 19.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.652 1.215 . . . . 23.25 110.477 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -106.1 107.15 18.01 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 123.431 1.586 . . . . 34.02 107.674 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.99 -32.71 73.3 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.98 -1.075 . . . . 44.98 111.361 -174.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.58 99.15 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 116.262 -2.175 . . . . 33.85 112.569 -177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -98.87 3.12 47.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.317 0.488 . . . . 26.44 112.317 -176.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 57.19 40.64 27.95 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 108.31 -0.996 . . . . 35.54 108.31 176.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.4 m -126.76 123.3 37.1 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.627 1.204 . . . . 17.86 112.762 -171.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -92.32 153.48 19.18 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 124.27 1.028 . . . . 15.36 109.711 169.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -129.98 133.44 46.78 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.321 -0.992 . . . . 22.1 108.321 169.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.6 p -116.17 126.83 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 N-CA-C 106.987 -1.486 . . . . 21.72 106.987 169.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -125.7 117.89 24.45 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 106.085 -1.82 . . . . 31.54 106.085 -172.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 CA--C 1.499 -1.006 0 CA-C-O 123.217 1.484 . . . . 42.69 107.177 -175.577 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.659 ' O ' HD13 ' A' ' 7' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 8.0 mtp . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 102.903 -2.999 . . . . 42.3 102.903 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -85.03 126.14 33.31 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 107.177 -1.416 . . . . 51.3 107.177 175.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -113.99 150.79 33.33 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 114.763 -1.108 . . . . 17.95 108.71 170.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.643 ' HD3' ' CD ' ' A' ' 15' ' ' GLU . 38.9 ttmt -122.47 147.39 46.39 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 124.098 0.874 . . . . 29.25 111.375 -178.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.9 tp -120.82 121.91 39.16 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 113.799 -1.546 . . . . 16.33 110.279 171.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 80.2 mt -92.57 124.42 45.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 124.62 1.168 . . . . 20.92 108.388 170.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.659 HD13 ' O ' ' A' ' 105' ' ' HOH . 5.1 mt -107.44 116.38 50.87 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.625 0 N-CA-C 106.442 -1.688 . . . . 27.31 106.442 -178.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -115.97 78.34 1.18 Allowed 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 105.155 -2.165 . . . . 46.95 105.155 172.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.57 174.6 22.89 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-O 122.349 0.972 . . . . 35.15 112.109 -174.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -71.98 -36.45 69.81 Favored 'General case' 0 C--O 1.242 0.681 0 CA-C-N 113.921 -1.139 . . . . 41.44 112.045 179.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -114.41 -37.18 4.4 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 114.811 1.411 . . . . 46.19 114.811 179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.05 137.87 45.3 Favored 'General case' 0 CA--C 1.556 1.183 0 CA-C-O 123.312 1.529 . . . . 35.57 108.382 179.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -134.18 157.68 45.62 Favored 'General case' 0 C--N 1.283 -2.306 0 O-C-N 120.049 -1.657 . . . . 34.93 107.565 164.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 150.28 -153.65 25.19 Favored Glycine 0 N--CA 1.438 -1.195 0 CA-C-O 117.362 -1.799 . . . . 19.21 114.223 173.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.643 ' CD ' ' HD3' ' A' ' 4' ' ' LYS . 30.3 tt0 -147.9 136.5 21.7 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 126.742 2.084 . . . . 29.38 107.811 -177.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 13.8 pt -129.17 150.57 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.391 0 N-CA-C 109.039 -0.726 . . . . 27.8 109.039 174.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 76.3 p -122.75 146.66 47.31 Favored 'General case' 0 CA--C 1.486 -1.502 0 CA-C-N 114.567 -1.197 . . . . 28.56 112.396 176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -150.38 167.64 26.47 Favored 'General case' 0 C--N 1.371 1.525 0 CA-C-N 115.347 -0.842 . . . . 23.48 109.044 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.424 ' OE2' ' N ' ' A' ' 1' ' ' MET . 32.1 tp10 -94.38 134.39 36.93 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.063 -0.972 . . . . 32.16 109.497 -179.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.15 160.49 42.88 Favored 'General case' 0 C--O 1.212 -0.875 0 CA-C-O 123.874 1.797 . . . . 19.81 106.756 172.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 p -76.7 -30.58 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.635 0 N-CA-C 114.903 1.445 . . . . 21.61 114.903 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.0 p30 -157.35 173.03 17.54 Favored 'General case' 0 N--CA 1.418 -2.058 0 C-N-CA 124.6 1.16 . . . . 21.54 111.877 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.46 86.51 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.202 -0.908 . . . . 16.98 113.194 -172.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.49 98.64 Favored 'General case' 0 C--O 1.247 0.925 0 O-C-N 120.547 -1.345 . . . . 19.0 112.369 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -67.16 -41.15 86.47 Favored 'General case' 0 N--CA 1.433 -1.288 0 O-C-N 120.965 -1.084 . . . . 47.8 110.749 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.14 97.36 Favored 'General case' 0 C--O 1.259 1.556 0 C-N-CA 119.694 -0.802 . . . . 15.98 109.662 176.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -59.0 -44.16 91.63 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 119.753 1.16 . . . . 35.14 110.872 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -58.84 -48.59 80.82 Favored 'General case' 0 CA--C 1.492 -1.251 0 CA-C-O 122.012 0.91 . . . . 25.99 111.49 178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -61.56 -41.18 97.0 Favored 'General case' 0 C--O 1.203 -1.354 0 O-C-N 121.126 -0.983 . . . . 39.89 112.91 -179.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -71.2 -33.22 69.72 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 113.051 0.76 . . . . 16.29 113.051 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -69.99 -34.66 73.63 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.146 -0.622 . . . . 30.34 111.56 175.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.42 -44.13 88.35 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.453 1.096 . . . . 23.54 108.338 173.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.0 t80 -57.2 -47.29 81.65 Favored 'General case' 0 C--O 1.274 2.377 0 CA-C-O 123.026 1.393 . . . . 19.07 111.013 174.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.76 -43.63 90.41 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 118.24 -2.788 . . . . 20.38 111.545 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -57.73 -44.34 85.94 Favored 'General case' 0 CA--C 1.498 -1.022 0 O-C-N 121.867 -0.521 . . . . 26.28 112.283 174.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -58.56 -27.22 64.38 Favored 'General case' 0 CA--C 1.492 -1.265 0 C-N-CA 123.888 0.875 . . . . 27.66 113.227 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -105.17 5.92 32.63 Favored 'General case' 0 CA--C 1.509 -0.607 0 N-CA-C 115.324 1.601 . . . . 25.75 115.324 -179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 64.33 27.4 71.57 Favored Glycine 0 C--O 1.261 1.819 0 C-N-CA 117.666 -2.207 . . . . 31.45 117.474 -178.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 87.0 mt -92.02 126.45 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.094 0 N-CA-C 106.242 -1.762 . . . . 30.23 106.242 -179.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -131.46 121.0 23.79 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.292 1.037 . . . . 54.05 108.418 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.62 -164.27 21.9 Favored Glycine 0 CA--C 1.496 -1.113 0 CA-C-O 117.96 -1.467 . . . . 30.58 112.382 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -94.0 133.76 37.11 Favored 'General case' 0 C--O 1.271 2.205 0 O-C-N 126.434 1.902 . . . . 54.97 109.666 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -106.92 134.48 50.0 Favored 'General case' 0 C--O 1.243 0.753 0 O-C-N 125.639 1.837 . . . . 26.6 112.038 -175.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -129.59 158.19 40.0 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 124.909 1.284 . . . . 31.18 110.427 167.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -140.0 126.25 19.98 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.652 1.215 . . . . 23.25 110.477 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -106.1 107.15 18.01 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-O 123.431 1.586 . . . . 34.02 107.674 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.99 -32.71 73.3 Favored 'General case' 0 C--N 1.352 0.688 0 O-C-N 120.98 -1.075 . . . . 44.98 111.361 -174.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.58 99.15 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 116.262 -2.175 . . . . 33.85 112.569 -177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.0 p -98.87 3.12 47.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 112.317 0.488 . . . . 26.44 112.317 -176.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt 57.19 40.64 27.95 Favored 'General case' 0 CA--C 1.564 1.492 0 N-CA-C 108.31 -0.996 . . . . 35.54 108.31 176.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.4 m -126.76 123.3 37.1 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 124.627 1.204 . . . . 17.86 112.762 -171.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -92.32 153.48 19.18 Favored 'General case' 0 CA--C 1.494 -1.193 0 C-N-CA 124.27 1.028 . . . . 15.36 109.711 169.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.1 m -129.98 133.44 46.78 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 108.321 -0.992 . . . . 22.1 108.321 169.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.6 p -116.17 126.83 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.337 0 N-CA-C 106.987 -1.486 . . . . 21.72 106.987 169.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.9 m -125.7 117.89 24.45 Favored 'General case' 0 C--O 1.251 1.173 0 N-CA-C 106.085 -1.82 . . . . 31.54 106.085 -172.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 . . . . . 0 CA--C 1.499 -1.006 0 CA-C-O 123.217 1.484 . . . . 42.69 107.177 -175.577 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . 0.659 ' O ' HD13 ' A' ' 7' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_