data_3sgp_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 3sgp _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' ' ' LYS . . . . . . . . . . . . . 18.3 tttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.854 -0.795 . . . . 37.530000000000001 108.854 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.49 114.57 22.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.864 0.364 . . . . 24.559999999999999 111.32 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -110.38 167.7 10.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.447 0.641 . . . . 31.350000000000001 110.711 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.9 t -122.36 136.92 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.148 -0.478 . . . . 20.27 109.832 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -126.92 123.1 36.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.521 -1.659 . . . . 19.52 106.521 170.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.6 -179.72 23.84 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 119.865 -1.16 . . . . 14.300000000000001 115.087 -173.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -127.26 155.55 43.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.713 -0.743 . . . . 26.030000000000001 109.794 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.39 131.48 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 109.606 -0.516 . . . . 20.239999999999998 109.606 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 pt -130.45 165.29 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.57 -0.452 . . . . 25.949999999999999 111.367 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -105.35 124.13 49.03 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.329 -1.36 . . . . 34.520000000000003 107.329 175.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.239 0.512 0 CA-C-N 116.172 -0.467 . . . . 23.829999999999998 111.311 -179.482 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LYS . . . . . . . . . . . . . 63.6 tttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.11 -0.33 . . . . 27.210000000000001 110.11 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.5 111.75 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.999 -0.281 . . . . 17.73 110.745 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -102.52 155.01 18.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 16.190000000000001 109.942 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 81.4 t -117.69 130.71 72.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.744 -0.465 . . . . 15.039999999999999 109.744 -176.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.63 134.44 54.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 107.192 -1.41 . . . . 25.600000000000001 107.192 172.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.9 -173.51 31.7 Favored Glycine 0 CA--C 1.5 -0.895 0 C-N-CA 118.119 -1.991 . . . . 16.699999999999999 113.538 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -125.3 148.28 48.77 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 114.401 -0.899 . . . . 26.25 110.523 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.4 134.38 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.228 -0.896 . . . . 22.190000000000001 108.78 168.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . . . -132.93 141.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 30.699999999999999 110.194 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -89.7 123.91 34.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.682 -0.488 . . . . 27.23 109.682 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 12.8 m . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.237 -0.585 . . . . 38.710000000000001 110.473 177.829 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' LYS . . . . . 0.476 ' N ' ' OE1' ' D' ' 10' ' ' GLU . 88.8 tttt . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.139 -0.319 . . . . 33.490000000000002 110.139 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.46 150.95 47.5 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.916 1.45 . . . . 21.84 114.916 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -145.2 167.84 21.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.488 -0.778 . . . . 16.390000000000001 111.199 -177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 74.5 t -128.89 129.92 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 N-CA-C 109.041 -0.726 . . . . 14.18 109.041 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -120.71 136.51 54.84 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.387 -1.708 . . . . 33.049999999999997 106.387 172.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.28 -173.33 34.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 118.199 -1.953 . . . . 15.23 115.065 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.88 145.18 43.1 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.238 -0.981 . . . . 26.16 110.51 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -86.27 133.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.896 -1.15 . . . . 16.109999999999999 107.896 164.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 40.9 pt -127.68 142.66 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 121.517 0.675 . . . . 20.760000000000002 110.423 177.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -89.77 129.97 36.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.442 -0.903 . . . . 27.440000000000001 110.657 177.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 23.690000000000001 109.813 174.79 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 30.2 mttp . . . . . 0 C--O 1.213 -0.837 0 N-CA-C 109.482 -0.562 . . . . 40.600000000000001 109.482 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -89.95 121.09 31.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.993 -0.373 . . . . 18.579999999999998 109.993 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -119.23 174.73 6.17 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.962 0.789 . . . . 26.719999999999999 109.939 179.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 81.4 t -133.12 144.03 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.921 -0.4 . . . . 18.469999999999999 109.921 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 39.5 tp -132.91 120.49 21.55 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 104.872 -2.269 . . . . 23.420000000000002 104.872 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.02 177.76 25.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.682 -1.247 . . . . 11.83 114.297 -174.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -120.06 152.12 38.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.389 0.675 . . . . 26.52 109.903 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -97.74 131.68 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.359 -0.978 . . . . 18.59 108.359 172.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -128.8 165.93 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 28.899999999999999 109.762 176.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLU . . . . . 0.476 ' OE1' ' N ' ' C' ' 1' ' ' LYS . 12.9 tp10 -100.69 129.26 46.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.72 -0.844 . . . . 42.299999999999997 108.72 176.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 119.499 -0.88 . . . . 35.289999999999999 111.606 173.759 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MRD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 tttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.854 -0.795 . . . . 37.53 108.854 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.49 114.57 22.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.864 0.364 . . . . 24.56 111.32 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -110.38 167.7 10.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.447 0.641 . . . . 31.35 110.711 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.9 t -122.36 136.92 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.148 -0.478 . . . . 20.27 109.832 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -126.92 123.1 36.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.521 -1.659 . . . . 19.52 106.521 170.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.6 -179.72 23.84 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 119.865 -1.16 . . . . 14.3 115.087 -173.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -127.26 155.55 43.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.713 -0.743 . . . . 26.03 109.794 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.39 131.48 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 109.606 -0.516 . . . . 20.24 109.606 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 pt -130.45 165.29 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.57 -0.452 . . . . 25.95 111.367 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -105.35 124.13 49.03 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.329 -1.36 . . . . 34.52 107.329 175.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.239 0.512 0 CA-C-N 116.172 -0.467 . . . . 23.83 111.311 -179.482 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' B' ' 35' ' ' HOH . 63.6 tttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.11 -0.33 . . . . 29.89 110.11 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.5 111.75 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.999 -0.281 . . . . 22.18 110.745 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -102.52 155.01 18.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 19.32 109.942 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 81.4 t -117.69 130.71 72.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.744 -0.465 . . . . 15.04 109.744 -176.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.63 134.44 54.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 107.192 -1.41 . . . . 25.6 107.192 172.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.9 -173.51 31.7 Favored Glycine 0 CA--C 1.5 -0.895 0 C-N-CA 118.119 -1.991 . . . . 16.7 113.538 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -125.3 148.28 48.77 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 114.401 -0.899 . . . . 26.25 110.523 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.4 134.38 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.228 -0.896 . . . . 22.19 108.78 168.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . . . -132.93 141.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 30.7 110.194 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -89.7 123.91 34.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.682 -0.488 . . . . 28.96 109.682 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . 0.521 HG11 ' HM1' ' B' ' 12' ' ' MPD . 12.8 m . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.237 -0.585 . . . . 38.71 110.473 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.139 -0.319 . . . . 33.49 110.139 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.46 150.95 47.5 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.916 1.45 . . . . 21.84 114.916 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -145.2 167.84 21.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.488 -0.778 . . . . 18.65 111.199 -177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 74.5 t -128.89 129.92 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 N-CA-C 109.041 -0.726 . . . . 14.18 109.041 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -120.71 136.51 54.84 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.387 -1.708 . . . . 33.05 106.387 172.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.28 -173.33 34.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 118.199 -1.953 . . . . 15.23 115.065 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.88 145.18 43.1 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.238 -0.981 . . . . 26.16 110.51 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -86.27 133.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.896 -1.15 . . . . 16.11 107.896 164.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 40.9 pt -127.68 142.66 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 121.517 0.675 . . . . 21.29 110.423 177.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . 0.555 ' OE2' ' H52' ' C' ' 12' ' ' MPD . 24.7 tt0 -89.77 129.97 36.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.442 -0.903 . . . . 27.44 110.657 177.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 23.69 109.813 174.79 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 30.2 mttp . . . . . 0 C--O 1.213 -0.837 0 N-CA-C 109.482 -0.562 . . . . 40.6 109.482 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -89.95 121.09 31.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.993 -0.373 . . . . 18.58 109.993 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -119.23 174.73 6.17 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.962 0.789 . . . . 26.72 109.939 179.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 81.4 t -133.12 144.03 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.921 -0.4 . . . . 18.47 109.921 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 39.5 tp -132.91 120.49 21.55 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 104.872 -2.269 . . . . 23.42 104.872 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.02 177.76 25.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.682 -1.247 . . . . 11.83 114.297 -174.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -120.06 152.12 38.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.389 0.675 . . . . 26.52 109.903 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -97.74 131.68 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.359 -0.978 . . . . 18.59 108.359 172.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -128.8 165.93 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 28.9 109.762 176.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -100.69 129.26 46.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.72 -0.844 . . . . 42.3 108.72 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 119.499 -0.88 . . . . 35.29 111.606 173.759 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MRD . . . . . 0.686 HMC2 ' O ' ' A' ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' MPD . . . . . 0.521 ' HM1' HG11 ' B' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' MPD . . . . . 0.555 ' H52' ' OE2' ' C' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . 0.686 ' O ' HMC2 ' A' ' 12' ' ' MRD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . 0.55 ' O ' ' HA ' ' B' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 tttm . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.854 -0.795 . . . . 37.530000000000001 108.854 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.3 mt -85.49 114.57 22.62 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 120.864 0.364 . . . . 24.559999999999999 111.32 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -110.38 167.7 10.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.447 0.641 . . . . 31.350000000000001 110.711 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.9 t -122.36 136.92 57.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.148 -0.478 . . . . 20.27 109.832 176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.8 tp -126.92 123.1 36.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.521 -1.659 . . . . 19.52 106.521 170.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.6 -179.72 23.84 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 119.865 -1.16 . . . . 14.300000000000001 115.087 -173.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -127.26 155.55 43.3 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.713 -0.743 . . . . 26.030000000000001 109.794 -177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.6 t -105.39 131.48 54.6 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.322 0 N-CA-C 109.606 -0.516 . . . . 20.239999999999998 109.606 176.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.9 pt -130.45 165.29 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.57 -0.452 . . . . 25.949999999999999 111.367 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -105.35 124.13 49.03 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 107.329 -1.36 . . . . 34.520000000000003 107.329 175.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.239 0.512 0 CA-C-N 116.172 -0.467 . . . . 23.829999999999998 111.311 -179.482 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' B' ' 35' ' ' HOH . 63.6 tttt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.11 -0.33 . . . . 29.890000000000001 110.11 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 46.3 mt -90.5 111.75 23.15 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.999 -0.281 . . . . 22.18 110.745 176.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -102.52 155.01 18.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 19.32 109.942 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 81.4 t -117.69 130.71 72.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 109.744 -0.465 . . . . 15.039999999999999 109.744 -176.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.63 134.44 54.99 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 107.192 -1.41 . . . . 25.600000000000001 107.192 172.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.9 -173.51 31.7 Favored Glycine 0 CA--C 1.5 -0.895 0 C-N-CA 118.119 -1.991 . . . . 16.699999999999999 113.538 -177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -125.3 148.28 48.77 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 114.401 -0.899 . . . . 26.25 110.523 -177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.4 134.38 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-N 115.228 -0.896 . . . . 22.190000000000001 108.78 168.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . . . -132.93 141.79 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.836 -0.62 . . . . 30.699999999999999 110.194 179.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -89.7 123.91 34.14 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.682 -0.488 . . . . 28.960000000000001 109.682 177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.521 HG11 ' HM1' ' B' ' 12' ' ' MPD . 12.8 m . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.237 -0.585 . . . . 38.710000000000001 110.473 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.139 -0.319 . . . . 33.490000000000002 110.139 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 71.3 mt -68.46 150.95 47.5 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.916 1.45 . . . . 21.84 114.916 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 tptt -145.2 167.84 21.82 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.488 -0.778 . . . . 18.649999999999999 111.199 -177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 74.5 t -128.89 129.92 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.532 0 N-CA-C 109.041 -0.726 . . . . 14.18 109.041 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -120.71 136.51 54.84 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 106.387 -1.708 . . . . 33.049999999999997 106.387 172.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.28 -173.33 34.58 Favored Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 118.199 -1.953 . . . . 15.23 115.065 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.88 145.18 43.1 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 114.238 -0.981 . . . . 26.16 110.51 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 93.8 t -86.27 133.89 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.896 -1.15 . . . . 16.109999999999999 107.896 164.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 40.9 pt -127.68 142.66 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-O 121.517 0.675 . . . . 21.289999999999999 110.423 177.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.555 ' OE2' ' H52' ' C' ' 12' ' ' MPD . 24.7 tt0 -89.77 129.97 36.1 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 119.442 -0.903 . . . . 27.440000000000001 110.657 177.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 23.690000000000001 109.813 174.79 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 30.2 mttp . . . . . 0 C--O 1.213 -0.837 0 N-CA-C 109.482 -0.562 . . . . 40.600000000000001 109.482 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 62.7 mt -89.95 121.09 31.73 Favored 'General case' 0 C--O 1.24 0.602 0 N-CA-C 109.993 -0.373 . . . . 18.579999999999998 109.993 179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -119.23 174.73 6.17 Favored 'General case' 0 CA--C 1.518 -0.272 0 O-C-N 123.962 0.789 . . . . 26.719999999999999 109.939 179.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 81.4 t -133.12 144.03 37.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.921 -0.4 . . . . 18.469999999999999 109.921 -177.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 39.5 tp -132.91 120.49 21.55 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 104.872 -2.269 . . . . 23.420000000000002 104.872 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.02 177.76 25.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.682 -1.247 . . . . 11.83 114.297 -174.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -120.06 152.12 38.02 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.389 0.675 . . . . 26.52 109.903 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 72.9 t -97.74 131.68 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 108.359 -0.978 . . . . 18.59 108.359 172.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ILE . . . . . . . . . . . . . 34.1 pt -128.8 165.93 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.09 0.471 . . . . 28.899999999999999 109.762 176.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -100.69 129.26 46.58 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.72 -0.844 . . . . 42.299999999999997 108.72 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 119.499 -0.88 . . . . 35.289999999999999 111.606 173.759 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MRD . . . . . 0.686 HMC2 ' O ' ' A' ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' MPD . . . . . 0.521 ' HM1' HG11 ' B' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' MPD . . . . . 0.555 ' H52' ' OE2' ' C' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . 0.686 ' O ' HMC2 ' A' ' 12' ' ' MRD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . 0.55 ' O ' ' HA ' ' B' ' 1' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_