data_5sus_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 5sus _Structure_validation_residue.Date_analyzed 2017-01-06 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' ' ' ORN . . . . . 0.408 ' HB3' ' C ' ' A' ' 16' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 55.7 m -127.83 148.97 50.47 Favored 'General case' 0 C--N 1.37 1.477 0 N-CA-C 108.173 -1.047 . . . . 44.969999999999999 108.173 179.142 -75.432 102.869 -104.484 77.525 5.351 103.4 -115.638 -49.259 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.72 119.68 41.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 107.685 -1.228 . . . . 53.380000000000003 107.685 174.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -108.51 143.16 37.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.907 -0.405 . . . . 82.760000000000005 109.907 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -122.5 148.96 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.934 0.716 . . . . 51.409999999999997 112.934 -171.393 -53.73 135.652 9.506 159.2 30.345 52.247 -30.725 -62.56 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 8.1 pt-20 -103.07 125.51 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.208 -0.906 . . . . 72.519999999999996 108.974 -176.388 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 108.048 -1.093 . . . . 115.87 108.048 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.02 132.2 44.5 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-N 115.131 -0.94 . . . . 62.909999999999997 110.295 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.4 mt -88.37 113.83 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.336 -1.357 . . . . 68.329999999999998 107.336 175.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mm -112.56 139.91 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.214 -0.662 . . . . 88.129999999999995 109.214 -171.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.29 127.96 8.19 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.498 -1.441 . . . . 61.909999999999997 109.498 167.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -114.95 132.85 56.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.603 0.594 . . . . 74.870000000000005 112.603 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 C-N-CA 117.675 -1.61 . . . . 60.340000000000003 107.755 -179.646 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -118.42 155.43 30.75 Favored 'General case' 0 C--N 1.372 1.566 0 CA-C-N 115.315 -0.857 . . . . 53.600000000000001 110.935 -179.762 -59.117 -102.223 44.411 22.312 26.926 82.448 44.544 -40.342 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 94.8 t -102.42 130.64 52.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 108.184 -1.043 . . . . 80.659999999999997 108.184 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -120.85 146.3 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 55.789999999999999 110.113 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 27.0 m -135.97 156.02 49.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.598 -0.728 . . . . 43.189999999999998 110.367 -172.398 -49.259 -115.638 -104.484 103.4 5.351 77.525 102.869 -75.432 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -91.29 126.17 36.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.895 -0.78 . . . . 76.640000000000001 108.895 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 t0 . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 115.758 -0.655 . . . . 66.540000000000006 110.142 -179.354 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.56 146.01 26.29 Favored 'General case' 0 C--N 1.373 1.625 0 CA-C-N 115.648 -0.705 . . . . 73.969999999999999 111.349 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.4 mt -88.73 123.51 41.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.118 -1.067 . . . . 56.539999999999999 108.118 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 pt -139.2 164.64 24.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 121.697 0.76 . . . . 55.039999999999999 109.44 -174.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.74 147.41 23.98 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.002 -0.999 . . . . 46.020000000000003 111.593 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 30.9 mt -142.4 124.28 15.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.185 -0.507 . . . . 52.719999999999999 111.06 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ORN . . . . . 0.446 ' NE ' 'CL ' ' B' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 124.949 1.299 . . . . 73.890000000000001 108.665 179.139 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m -116.79 152.84 33.54 Favored 'General case' 0 C--N 1.371 1.519 0 CA-C-N 115.293 -0.867 . . . . 60.840000000000003 111.346 -179.864 -62.56 -30.725 9.506 52.247 30.345 159.2 135.652 -53.73 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.33 116.23 43.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.77 -1.196 . . . . 73.739999999999995 107.77 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -100.23 144.63 29.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 108.65000000000001 109.642 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -134.44 158.93 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.731 0.641 . . . . 47.68 112.731 -169.642 -40.342 44.544 44.411 82.448 26.926 22.312 -102.223 -59.117 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -139.09 150.67 45.98 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.646 -0.706 . . . . 83.959999999999994 109.544 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.403 -0.817 . . . . 104.18000000000001 109.508 178.774 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.74 137.5 58.1 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 115.255 -0.884 . . . . 102.42 113.212 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.48 129.29 47.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.751 -1.203 . . . . 78.230000000000004 107.751 172.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 pt -135.77 161.04 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.626 0.727 . . . . 79.670000000000002 109.18 -174.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.04 121.49 6.06 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.404 -0.817 . . . . 46.57 112.192 174.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 67.8 mt -106.11 129.96 54.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.025 0.44 . . . . 72.209999999999994 111.191 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 119.998 1.272 . . . . 103.15000000000001 110.584 -179.186 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 66.7 m -127.37 156.82 41.42 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 112.701 0.63 . . . . 64.379999999999995 112.701 -179.437 -57.87 167.211 -10.606 31.984 11.699 144.58 86.788 -54.781 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.58 127.07 55.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 108.493 -0.929 . . . . 73.510000000000005 108.493 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.37 143.37 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.35 . . . . 89.549999999999997 110.069 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -123.64 168.2 12.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.801 0.334 . . . . 73.780000000000001 111.815 -174.514 -54.781 86.788 -10.606 144.58 11.699 31.984 167.211 -57.87 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -150.5 156.19 40.94 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.866 -0.791 . . . . 86.969999999999999 108.866 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 37.7 t0 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.466 -0.788 . . . . 93.569999999999993 111.372 -179.739 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.35 145.68 43.64 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 115.61 -0.723 . . . . 85.010000000000005 111.408 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.68 121.6 62.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 106.896 -1.52 . . . . 89.239999999999995 106.896 172.796 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.38 147.33 28.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.118 -0.697 . . . . 102.73999999999999 109.118 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.74 123.71 6.22 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 109.263 -1.535 . . . . 48.68 109.263 168.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.0 130.43 55.53 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 117.245 0.523 . . . . 98.200000000000003 111.658 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 119.52 1.054 . . . . 84.510000000000005 111.131 -179.164 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CL' . . . . . 0.446 'CL ' ' NE ' ' B' ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.499 ' O ' ' OE1' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 55.7 m -127.83 148.97 50.47 Favored 'General case' 0 C--N 1.37 1.477 0 N-CA-C 108.173 -1.047 . . . . 37.479999999999997 108.173 179.142 -75.432 102.869 -104.484 77.525 5.351 103.4 -115.638 -49.259 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.72 119.68 41.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 107.685 -1.228 . . . . 44.479999999999997 107.685 174.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -108.51 143.16 37.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.907 -0.405 . . . . 68.959999999999994 109.907 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -122.5 148.96 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.934 0.716 . . . . 44.409999999999997 112.934 -171.393 -53.73 135.652 9.506 159.2 30.345 52.247 -30.725 -62.56 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 8.1 pt-20 -103.07 125.51 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.208 -0.906 . . . . 65.700000000000003 108.974 -176.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 108.048 -1.093 . . . . 103.31999999999999 108.048 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.02 132.2 44.5 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-N 115.131 -0.94 . . . . 52.420000000000002 110.295 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.4 mt -88.37 113.83 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.336 -1.357 . . . . 56.939999999999998 107.336 175.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mm -112.56 139.91 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.214 -0.662 . . . . 73.439999999999998 109.214 -171.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.29 127.96 8.19 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.498 -1.441 . . . . 51.590000000000003 109.498 167.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -114.95 132.85 56.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.603 0.594 . . . . 62.390000000000001 112.603 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 C-N-CA 117.675 -1.61 . . . . 50.600000000000001 107.755 -179.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -118.42 155.43 30.75 Favored 'General case' 0 C--N 1.372 1.566 0 CA-C-N 115.315 -0.857 . . . . 44.670000000000002 110.935 -179.762 -59.117 -102.223 44.411 22.312 26.926 82.448 44.544 -40.342 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 94.8 t -102.42 130.64 52.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 108.184 -1.043 . . . . 67.219999999999999 108.184 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -120.85 146.3 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 47.340000000000003 110.113 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' MEA . . . . . 0.457 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 27.0 m -135.97 156.02 49.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.598 -0.728 . . . . 35.990000000000002 110.367 -172.398 -49.259 -115.638 -104.484 103.4 5.351 77.525 102.869 -75.432 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -91.29 126.17 36.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.895 -0.78 . . . . 72.909999999999997 108.895 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 t0 . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 115.758 -0.655 . . . . 59.369999999999997 110.142 -179.354 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.56 146.01 26.29 Favored 'General case' 0 C--N 1.373 1.625 0 CA-C-N 115.648 -0.705 . . . . 61.640000000000001 111.349 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.4 mt -88.73 123.51 41.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.118 -1.067 . . . . 47.119999999999997 108.118 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 pt -139.2 164.64 24.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 121.697 0.76 . . . . 45.859999999999999 109.44 -174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.74 147.41 23.98 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.002 -0.999 . . . . 38.350000000000001 111.593 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 30.9 mt -142.4 124.28 15.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.185 -0.507 . . . . 48.119999999999997 111.06 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ORN . . . . . 0.446 ' NE ' 'CL ' ' B' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 124.949 1.299 . . . . 61.579999999999998 108.665 179.139 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m -116.79 152.84 33.54 Favored 'General case' 0 C--N 1.371 1.519 0 CA-C-N 115.293 -0.867 . . . . 50.700000000000003 111.346 -179.864 -62.56 -30.725 9.506 52.247 30.345 159.2 135.652 -53.73 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.33 116.23 43.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.77 -1.196 . . . . 61.450000000000003 107.77 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -100.23 144.63 29.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 90.540000000000006 109.642 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' MEA . . . . . 0.419 ' O ' ' HC3' ' C' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -134.44 158.93 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.731 0.641 . . . . 39.740000000000002 112.731 -169.642 -40.342 44.544 44.411 82.448 26.926 22.312 -102.223 -59.117 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -139.09 150.67 45.98 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.646 -0.706 . . . . 69.959999999999994 109.544 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.403 -0.817 . . . . 104.18000000000001 109.508 178.774 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.74 137.5 58.1 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 115.255 -0.884 . . . . 85.349999999999994 113.212 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.48 129.29 47.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.751 -1.203 . . . . 65.189999999999998 107.751 172.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 pt -135.77 161.04 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.626 0.727 . . . . 66.390000000000001 109.18 -174.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.04 121.49 6.06 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.404 -0.817 . . . . 44.479999999999997 112.192 174.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 67.8 mt -106.11 129.96 54.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.025 0.44 . . . . 61.600000000000001 111.191 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 119.998 1.272 . . . . 85.959999999999994 110.584 -179.186 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 66.7 m -127.37 156.82 41.42 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 112.701 0.63 . . . . 53.649999999999999 112.701 -179.437 -57.87 167.211 -10.606 31.984 11.699 144.58 86.788 -54.781 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.58 127.07 55.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 108.493 -0.929 . . . . 61.259999999999998 108.493 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.37 143.37 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.35 . . . . 74.629999999999995 110.069 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -123.64 168.2 12.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.801 0.334 . . . . 61.479999999999997 111.815 -174.514 -54.781 86.788 -10.606 144.58 11.699 31.984 167.211 -57.87 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -150.5 156.19 40.94 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.866 -0.791 . . . . 86.969999999999999 108.866 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 37.7 t0 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.466 -0.788 . . . . 90.609999999999999 111.372 -179.739 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.35 145.68 43.64 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 115.61 -0.723 . . . . 70.840000000000003 111.408 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.68 121.6 62.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 106.896 -1.52 . . . . 74.359999999999999 106.896 172.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.38 147.33 28.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.118 -0.697 . . . . 85.609999999999999 109.118 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.74 123.71 6.22 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 109.263 -1.535 . . . . 45.43 109.263 168.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.0 130.43 55.53 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 117.245 0.523 . . . . 81.840000000000003 111.658 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 119.52 1.054 . . . . 70.420000000000002 111.131 -179.164 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CL' . . . . . 0.446 'CL ' ' NE ' ' B' ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.499 ' O ' ' OE1' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 55.7 m -127.83 148.97 50.47 Favored 'General case' 0 C--N 1.37 1.477 0 N-CA-C 108.173 -1.047 . . . . 37.479999999999997 108.173 179.142 -75.432 102.869 -104.484 77.525 5.351 103.4 -115.638 -49.259 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.72 119.68 41.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 N-CA-C 107.685 -1.228 . . . . 44.479999999999997 107.685 174.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -108.51 143.16 37.88 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.907 -0.405 . . . . 68.959999999999994 109.907 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.0 m -122.5 148.96 44.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.934 0.716 . . . . 44.409999999999997 112.934 -171.393 -53.73 135.652 9.506 159.2 30.345 52.247 -30.725 -62.56 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.499 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 8.1 pt-20 -103.07 125.51 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.208 -0.906 . . . . 65.700000000000003 108.974 -176.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 N-CA-C 108.048 -1.093 . . . . 103.31999999999999 108.048 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.02 132.2 44.5 Favored 'General case' 0 C--N 1.372 1.561 0 CA-C-N 115.131 -0.94 . . . . 52.420000000000002 110.295 179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.4 mt -88.37 113.83 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 107.336 -1.357 . . . . 56.939999999999998 107.336 175.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mm -112.56 139.91 35.05 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 N-CA-C 109.214 -0.662 . . . . 73.439999999999998 109.214 -171.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.29 127.96 8.19 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 109.498 -1.441 . . . . 51.590000000000003 109.498 167.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -114.95 132.85 56.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.603 0.594 . . . . 62.390000000000001 112.603 -176.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.439 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 C-N-CA 117.675 -1.61 . . . . 50.600000000000001 107.755 -179.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' CYS . . . . . . . . . . . . . 80.3 m -118.42 155.43 30.75 Favored 'General case' 0 C--N 1.372 1.566 0 CA-C-N 115.315 -0.857 . . . . 44.670000000000002 110.935 -179.762 -59.117 -102.223 44.411 22.312 26.926 82.448 44.544 -40.342 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 94.8 t -102.42 130.64 52.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 108.184 -1.043 . . . . 67.219999999999999 108.184 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -120.85 146.3 46.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.336 -0.393 . . . . 47.340000000000003 110.113 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' MEA . . . . . 0.457 ' O ' ' HC3' ' B' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 27.0 m -135.97 156.02 49.37 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.598 -0.728 . . . . 35.990000000000002 110.367 -172.398 -49.259 -115.638 -104.484 103.4 5.351 77.525 102.869 -75.432 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -91.29 126.17 36.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.895 -0.78 . . . . 72.909999999999997 108.895 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 47.6 t0 . . . . . 0 N--CA 1.448 -0.528 0 CA-C-N 115.758 -0.655 . . . . 59.369999999999997 110.142 -179.354 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.56 146.01 26.29 Favored 'General case' 0 C--N 1.373 1.625 0 CA-C-N 115.648 -0.705 . . . . 61.640000000000001 111.349 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 41.4 mt -88.73 123.51 41.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.118 -1.067 . . . . 47.119999999999997 108.118 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.8 pt -139.2 164.64 24.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-O 121.697 0.76 . . . . 45.859999999999999 109.44 -174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.74 147.41 23.98 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.002 -0.999 . . . . 38.350000000000001 111.593 171.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 30.9 mt -142.4 124.28 15.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.185 -0.507 . . . . 48.119999999999997 111.06 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ORN . . . . . 0.446 ' NE ' 'CL ' ' B' ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.327 -0.394 0 C-N-CA 124.949 1.299 . . . . 61.579999999999998 108.665 179.139 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' CYS . . . . . . . . . . . . . 71.0 m -116.79 152.84 33.54 Favored 'General case' 0 C--N 1.371 1.519 0 CA-C-N 115.293 -0.867 . . . . 50.700000000000003 111.346 -179.864 -62.56 -30.725 9.506 52.247 30.345 159.2 135.652 -53.73 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 42.9 t -100.33 116.23 43.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 107.77 -1.196 . . . . 61.450000000000003 107.77 -178.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -100.23 144.63 29.03 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.642 -0.503 . . . . 90.540000000000006 109.642 175.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' MEA . . . . . 0.419 ' O ' ' HC3' ' C' ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 4.0 m -134.44 158.93 42.64 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.731 0.641 . . . . 39.740000000000002 112.731 -169.642 -40.342 44.544 44.411 82.448 26.926 22.312 -102.223 -59.117 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -139.09 150.67 45.98 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.646 -0.706 . . . . 69.959999999999994 109.544 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 34.9 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.403 -0.817 . . . . 104.18000000000001 109.508 178.774 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.74 137.5 58.1 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 115.255 -0.884 . . . . 85.349999999999994 113.212 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.48 129.29 47.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 107.751 -1.203 . . . . 65.189999999999998 107.751 172.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 pt -135.77 161.04 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.626 0.727 . . . . 66.390000000000001 109.18 -174.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.04 121.49 6.06 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.404 -0.817 . . . . 44.479999999999997 112.192 174.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 67.8 mt -106.11 129.96 54.09 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.025 0.44 . . . . 61.600000000000001 111.191 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 119.998 1.272 . . . . 85.959999999999994 110.584 -179.186 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' CYS . . . . . . . . . . . . . 66.7 m -127.37 156.82 41.42 Favored 'General case' 0 C--N 1.375 1.683 0 N-CA-C 112.701 0.63 . . . . 53.649999999999999 112.701 -179.437 -57.87 167.211 -10.606 31.984 11.699 144.58 86.788 -54.781 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.58 127.07 55.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 N-CA-C 108.493 -0.929 . . . . 61.259999999999998 108.493 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -121.37 143.37 49.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.431 -0.35 . . . . 74.629999999999995 110.069 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' MEA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -123.64 168.2 12.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.801 0.334 . . . . 61.479999999999997 111.815 -174.514 -54.781 86.788 -10.606 144.58 11.699 31.984 167.211 -57.87 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -150.5 156.19 40.94 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.866 -0.791 . . . . 86.969999999999999 108.866 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 37.7 t0 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.466 -0.788 . . . . 90.609999999999999 111.372 -179.739 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.35 145.68 43.64 Favored 'General case' 0 C--N 1.372 1.582 0 CA-C-N 115.61 -0.723 . . . . 70.840000000000003 111.408 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.68 121.6 62.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 N-CA-C 106.896 -1.52 . . . . 74.359999999999999 106.896 172.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 1.2 mp -124.38 147.33 28.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.118 -0.697 . . . . 85.609999999999999 109.118 -173.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.74 123.71 6.22 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 109.263 -1.535 . . . . 45.43 109.263 168.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 mp -110.0 130.43 55.53 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 117.245 0.523 . . . . 81.840000000000003 111.658 -179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' VAL . . . . . . . . . . . . . 40.3 t . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 119.52 1.054 . . . . 70.420000000000002 111.131 -179.164 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CL' . . . . . 0.446 'CL ' ' NE ' ' B' ' 15' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.499 ' O ' ' OE1' ' A' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_