data_4ak0_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 4ak0 _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.73 0 N-CA-C 109.523 -1.431 . . . . 27.390000000000001 109.523 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -56.13 -44.42 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 114.943 1.46 . . . . 27.210000000000001 114.943 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.75 -35.41 72.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 O-C-N 121.209 -0.932 . . . . 28.18 109.486 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -66.52 -53.26 36.96 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.804 0.811 . . . . 57.659999999999997 109.9 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -69.89 -33.46 72.25 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 115.189 -0.914 . . . . 31.579999999999998 112.619 -177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -115.93 -16.09 11.16 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 116.262 1.949 . . . . 22.640000000000001 116.262 -165.558 -72.827 -108.041 60.737 101.136 1.963 107.125 64.733 -156.784 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.5 t -107.42 -58.99 1.88 Allowed 'General case' 0 C--O 1.209 -1.052 0 O-C-N 123.485 0.49 . . . . 24.530000000000001 111.491 179.123 165.678 58.232 89.351 105.776 1.995 101.431 -80.127 -60.357 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 p -80.8 -12.6 59.42 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 118.675 -1.21 . . . . 31.82 111.722 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 p -128.44 177.87 6.68 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.088 -1.845 . . . . 29.170000000000002 108.437 160.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -75.54 138.52 20.7 Favored 'Isoleucine or valine' 0 C--O 1.264 1.841 0 N-CA-C 108.482 -0.933 . . . . 24.829999999999998 108.482 -174.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 175.26 8.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 124.6 1.187 . . . . 17.449999999999999 110.446 -177.354 -156.784 64.733 60.737 107.125 1.963 101.136 -108.041 -72.827 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -149.44 161.13 42.72 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.51 -0.768 . . . . 14.82 109.491 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.12 -47.01 86.85 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.458 1.281 . . . . 14.720000000000001 114.458 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -50.73 -44.16 58.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.468 0.307 . . . . 36.030000000000001 111.219 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -72.13 -41.51 67.1 Favored 'General case' 0 C--O 1.193 -1.87 0 C-N-CA 120.131 -0.628 . . . . 27.719999999999999 112.259 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.34 -46.64 83.09 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.77 -0.826 . . . . 16.0 108.77 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.18 -20.9 64.9 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.456 -0.497 . . . . 18.309999999999999 112.239 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -67.13 -20.02 65.7 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 118.348 -1.341 . . . . 39.07 111.034 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -93.4 3.83 54.96 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 115.971 1.841 . . . . 26.82 115.971 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -77.68 153.44 33.08 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 119.276 -0.969 . . . . 25.5 108.611 177.226 -58.59 -47.403 -77.961 106.742 2.001 101.16 -68.491 -57.424 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 CA--C 1.491 -1.325 0 CA-C-O 123.714 1.721 . . . . 41.460000000000001 110.681 174.978 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.664 0.987 . . . . 28.170000000000002 113.664 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m -86.07 -17.83 9.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 C-N-CA 116.674 -2.011 . . . . 25.079999999999998 114.363 -171.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -92.71 58.81 3.15 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.964 0.905 . . . . 22.32 111.162 -175.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -151.2 -178.49 6.66 Favored 'General case' 0 CA--C 1.563 1.459 0 CA-C-N 114.724 -1.126 . . . . 30.190000000000001 111.332 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -77.32 124.94 28.54 Favored 'General case' 0 CA--C 1.474 -1.946 0 N-CA-C 105.895 -1.891 . . . . 22.48 105.895 172.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.3 mt -129.29 112.93 14.38 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.484 -2.043 . . . . 17.16 105.484 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -125.8 157.43 37.52 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.34 -0.615 . . . . 20.920000000000002 109.34 -173.971 -60.357 -80.127 89.351 101.431 1.995 105.776 58.232 165.678 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.04 -134.05 32.24 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 122.69 1.161 . . . . 20.469999999999999 113.333 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -64.94 -26.4 68.29 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.758 -0.848 . . . . 22.059999999999999 111.11 -174.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -61.35 -39.53 90.92 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.218 -0.926 . . . . 25.920000000000002 112.723 175.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.94 -47.84 83.08 Favored 'General case' 0 C--O 1.26 1.62 0 O-C-N 121.483 -0.76 . . . . 12.81 111.69 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.94 -38.28 78.96 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 123.029 1.395 . . . . 13.109999999999999 109.454 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.17 -42.04 84.94 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.941 -1.027 . . . . 19.289999999999999 111.484 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.16 92.2 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-O 122.437 1.113 . . . . 12.779999999999999 110.72 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.46 -40.66 93.48 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 121.787 0.803 . . . . 13.67 112.05 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.44 -46.12 89.65 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.239 -1.023 . . . . 12.470000000000001 108.239 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.28 -37.01 69.12 Favored 'General case' 0 C--O 1.173 -2.941 0 N-CA-C 106.78 -1.563 . . . . 14.09 106.78 -171.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.79 -41.67 21.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 121.083 -1.011 . . . . 16.280000000000001 111.812 -174.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.4 m -82.8 -11.7 58.06 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.341 -1.744 . . . . 16.629999999999999 113.532 -173.0 -57.424 -68.491 -77.961 101.16 2.001 106.742 -47.403 -58.59 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.21 -131.99 29.3 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.494 -0.86 . . . . 23.23 113.034 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -69.11 -22.73 63.96 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.846 1.795 . . . . 58.280000000000001 115.846 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . 0.673 ' CG ' ' O ' ' A' 2013 ' ' HOH . 3.5 mpp_? -53.46 -46.53 69.94 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 115.516 -0.766 . . . . 30.0 111.125 169.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.52 -173.2 55.17 Favored Glycine 0 C--O 1.251 1.207 0 C-N-CA 118.864 -1.636 . . . . 23.07 111.125 -162.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.68 169.1 22.17 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.191 -1.004 . . . . 17.390000000000001 109.879 -169.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . . . -118.62 129.13 55.14 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 104.225 -2.509 . . . . 23.809999999999999 104.225 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -113.84 112.64 23.71 Favored 'General case' 0 C--O 1.275 2.433 0 C-N-CA 126.18 1.792 . . . . 22.620000000000001 113.404 170.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -128.27 100.46 23.11 Favored Pre-proline 0 CA--C 1.502 -0.89 0 N-CA-C 106.921 -1.511 . . . . 34.229999999999997 106.921 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.24 -1.81 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 O-C-N 123.905 1.476 . . . . 50.990000000000002 108.54 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt . . . . . 0 C--O 1.245 0.834 0 C-N-CA 124.595 1.158 . . . . 82.900000000000006 109.129 171.281 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2013 ' ' HOH . . . . . 0.673 ' O ' ' CG ' ' B' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.73 0 N-CA-C 109.523 -1.431 . . . . 27.390000000000001 109.523 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -56.13 -44.42 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 114.943 1.46 . . . . 27.210000000000001 114.943 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.75 -35.41 72.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 O-C-N 121.209 -0.932 . . . . 28.18 109.486 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -66.52 -53.26 36.96 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.804 0.811 . . . . 57.659999999999997 109.9 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . 53.4 mm-40 -69.89 -33.46 72.25 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 115.189 -0.914 . . . . 31.579999999999998 112.619 -177.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -115.93 -16.09 11.16 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 116.262 1.949 . . . . 22.640000000000001 116.262 -165.558 -72.827 -108.041 60.737 101.136 1.963 107.125 64.733 -156.784 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.5 t -107.42 -58.99 1.88 Allowed 'General case' 0 C--O 1.209 -1.052 0 O-C-N 123.485 0.49 . . . . 24.530000000000001 111.491 179.123 165.678 58.232 89.351 105.776 1.995 101.431 -80.127 -60.357 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 p -80.8 -12.6 59.42 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 118.675 -1.21 . . . . 31.82 111.722 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 p -128.44 177.87 6.68 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.088 -1.845 . . . . 29.170000000000002 108.437 160.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -75.54 138.52 20.7 Favored 'Isoleucine or valine' 0 C--O 1.264 1.841 0 N-CA-C 108.482 -0.933 . . . . 24.829999999999998 108.482 -174.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 175.26 8.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 124.6 1.187 . . . . 17.449999999999999 110.446 -177.354 -156.784 64.733 60.737 107.125 1.963 101.136 -108.041 -72.827 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -149.44 161.13 42.72 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.51 -0.768 . . . . 14.82 109.491 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.12 -47.01 86.85 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.458 1.281 . . . . 14.720000000000001 114.458 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -50.73 -44.16 58.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.468 0.307 . . . . 36.030000000000001 111.219 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' OE1' ' HB3' ' A' ' 5' ' ' GLN . 58.2 mt-30 -72.13 -41.51 67.1 Favored 'General case' 0 C--O 1.193 -1.87 0 C-N-CA 120.131 -0.628 . . . . 27.719999999999999 112.259 -177.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.34 -46.64 83.09 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.77 -0.826 . . . . 16.0 108.77 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.18 -20.9 64.9 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.456 -0.497 . . . . 18.309999999999999 112.239 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -67.13 -20.02 65.7 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 118.348 -1.341 . . . . 39.07 111.034 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -93.4 3.83 54.96 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 115.971 1.841 . . . . 26.82 115.971 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -77.68 153.44 33.08 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 119.276 -0.969 . . . . 25.5 108.611 177.226 -58.59 -47.403 -77.961 106.742 2.001 101.16 -68.491 -57.424 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 CA--C 1.491 -1.325 0 CA-C-O 123.714 1.721 . . . . 41.460000000000001 110.681 174.978 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.664 0.987 . . . . 28.170000000000002 113.664 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m -86.07 -17.83 9.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 C-N-CA 116.674 -2.011 . . . . 25.079999999999998 114.363 -171.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -92.71 58.81 3.15 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.964 0.905 . . . . 22.32 111.162 -175.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -151.2 -178.49 6.66 Favored 'General case' 0 CA--C 1.563 1.459 0 CA-C-N 114.724 -1.126 . . . . 30.190000000000001 111.332 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -77.32 124.94 28.54 Favored 'General case' 0 CA--C 1.474 -1.946 0 N-CA-C 105.895 -1.891 . . . . 22.48 105.895 172.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.3 mt -129.29 112.93 14.38 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.484 -2.043 . . . . 17.16 105.484 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -125.8 157.43 37.52 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.34 -0.615 . . . . 20.920000000000002 109.34 -173.971 -60.357 -80.127 89.351 101.431 1.995 105.776 58.232 165.678 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.04 -134.05 32.24 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 122.69 1.161 . . . . 20.469999999999999 113.333 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -64.94 -26.4 68.29 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.758 -0.848 . . . . 22.059999999999999 111.11 -174.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -61.35 -39.53 90.92 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.218 -0.926 . . . . 25.920000000000002 112.723 175.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.94 -47.84 83.08 Favored 'General case' 0 C--O 1.26 1.62 0 O-C-N 121.483 -0.76 . . . . 12.81 111.69 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.94 -38.28 78.96 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 123.029 1.395 . . . . 13.109999999999999 109.454 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.17 -42.04 84.94 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.941 -1.027 . . . . 19.289999999999999 111.484 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.16 92.2 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-O 122.437 1.113 . . . . 12.779999999999999 110.72 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.46 -40.66 93.48 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 121.787 0.803 . . . . 13.67 112.05 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.44 -46.12 89.65 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.239 -1.023 . . . . 12.470000000000001 108.239 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.28 -37.01 69.12 Favored 'General case' 0 C--O 1.173 -2.941 0 N-CA-C 106.78 -1.563 . . . . 14.09 106.78 -171.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.79 -41.67 21.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 121.083 -1.011 . . . . 16.280000000000001 111.812 -174.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.4 m -82.8 -11.7 58.06 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.341 -1.744 . . . . 16.629999999999999 113.532 -173.0 -57.424 -68.491 -77.961 101.16 2.001 106.742 -47.403 -58.59 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.21 -131.99 29.3 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.494 -0.86 . . . . 23.23 113.034 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -69.11 -22.73 63.96 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.846 1.795 . . . . 58.280000000000001 115.846 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 1.003 ' HG2' ' O ' ' A' 2013 ' ' HOH . 3.5 mpp_? -53.46 -46.53 69.94 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 115.516 -0.766 . . . . 30.0 111.125 169.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.52 -173.2 55.17 Favored Glycine 0 C--O 1.251 1.207 0 C-N-CA 118.864 -1.636 . . . . 23.07 111.125 -162.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.68 169.1 22.17 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.191 -1.004 . . . . 17.390000000000001 109.879 -169.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . . . -118.62 129.13 55.14 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 104.225 -2.509 . . . . 23.809999999999999 104.225 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -113.84 112.64 23.71 Favored 'General case' 0 C--O 1.275 2.433 0 C-N-CA 126.18 1.792 . . . . 22.620000000000001 113.404 170.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -128.27 100.46 23.11 Favored Pre-proline 0 CA--C 1.502 -0.89 0 N-CA-C 106.921 -1.511 . . . . 34.229999999999997 106.921 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.24 -1.81 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 O-C-N 123.905 1.476 . . . . 50.990000000000002 108.54 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt . . . . . 0 C--O 1.245 0.834 0 C-N-CA 124.595 1.158 . . . . 82.900000000000006 109.129 171.281 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2013 ' ' HOH . . . . . 1.003 ' O ' ' HG2' ' B' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.73 0 N-CA-C 109.523 -1.431 . . . . 27.390000000000001 109.523 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.9 tt -56.13 -44.42 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 114.943 1.46 . . . . 27.210000000000001 114.943 -172.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.75 -35.41 72.91 Favored 'Isoleucine or valine' 0 C--O 1.258 1.51 0 O-C-N 121.209 -0.932 . . . . 28.18 109.486 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -66.52 -53.26 36.96 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.804 0.811 . . . . 57.659999999999997 109.9 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.429 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . 53.4 mm-40 -69.89 -33.46 72.25 Favored 'General case' 0 N--CA 1.43 -1.464 0 CA-C-N 115.189 -0.914 . . . . 31.579999999999998 112.619 -177.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 65.6 m -115.93 -16.09 11.16 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 116.262 1.949 . . . . 22.640000000000001 116.262 -165.558 -72.827 -108.041 60.737 101.136 1.963 107.125 64.733 -156.784 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.5 t -107.42 -58.99 1.88 Allowed 'General case' 0 C--O 1.209 -1.052 0 O-C-N 123.485 0.49 . . . . 24.530000000000001 111.491 179.123 165.678 58.232 89.351 105.776 1.995 101.431 -80.127 -60.357 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 p -80.8 -12.6 59.42 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 118.675 -1.21 . . . . 31.82 111.722 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 p -128.44 177.87 6.68 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 117.088 -1.845 . . . . 29.170000000000002 108.437 160.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -75.54 138.52 20.7 Favored 'Isoleucine or valine' 0 C--O 1.264 1.841 0 N-CA-C 108.482 -0.933 . . . . 24.829999999999998 108.482 -174.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.6 t -87.25 175.26 8.12 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 124.6 1.187 . . . . 17.449999999999999 110.446 -177.354 -156.784 64.733 60.737 107.125 1.963 101.136 -108.041 -72.827 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 90.8 p -149.44 161.13 42.72 Favored 'General case' 0 C--O 1.214 -0.784 0 CA-C-N 115.51 -0.768 . . . . 14.82 109.491 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.12 -47.01 86.85 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 114.458 1.281 . . . . 14.720000000000001 114.458 174.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 12.1 t80 -50.73 -44.16 58.23 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.468 0.307 . . . . 36.030000000000001 111.219 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.429 ' OE1' ' HB3' ' A' ' 5' ' ' GLN . 58.2 mt-30 -72.13 -41.51 67.1 Favored 'General case' 0 C--O 1.193 -1.87 0 C-N-CA 120.131 -0.628 . . . . 27.719999999999999 112.259 -177.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.34 -46.64 83.09 Favored 'General case' 0 CA--C 1.508 -0.652 0 N-CA-C 108.77 -0.826 . . . . 16.0 108.77 175.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -68.18 -20.9 64.9 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.456 -0.497 . . . . 18.309999999999999 112.239 -174.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -67.13 -20.02 65.7 Favored 'General case' 0 C--O 1.195 -1.774 0 C-N-CA 118.348 -1.341 . . . . 39.07 111.034 172.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -93.4 3.83 54.96 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 115.971 1.841 . . . . 26.82 115.971 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.8 m -77.68 153.44 33.08 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 119.276 -0.969 . . . . 25.5 108.611 177.226 -58.59 -47.403 -77.961 106.742 2.001 101.16 -68.491 -57.424 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 CA--C 1.491 -1.325 0 CA-C-O 123.714 1.721 . . . . 41.460000000000001 110.681 174.978 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 113.664 0.987 . . . . 28.170000000000002 113.664 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 m -86.07 -17.83 9.12 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.073 0 C-N-CA 116.674 -2.011 . . . . 25.079999999999998 114.363 -171.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -92.71 58.81 3.15 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 123.964 0.905 . . . . 22.32 111.162 -175.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -151.2 -178.49 6.66 Favored 'General case' 0 CA--C 1.563 1.459 0 CA-C-N 114.724 -1.126 . . . . 30.190000000000001 111.332 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -77.32 124.94 28.54 Favored 'General case' 0 CA--C 1.474 -1.946 0 N-CA-C 105.895 -1.891 . . . . 22.48 105.895 172.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 71.3 mt -129.29 112.93 14.38 Favored 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 105.484 -2.043 . . . . 17.16 105.484 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 80.6 m -125.8 157.43 37.52 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.34 -0.615 . . . . 20.920000000000002 109.34 -173.971 -60.357 -80.127 89.351 101.431 1.995 105.776 58.232 165.678 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.04 -134.05 32.24 Favored Glycine 0 N--CA 1.471 1.005 0 CA-C-O 122.69 1.161 . . . . 20.469999999999999 113.333 177.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 19.5 p -64.94 -26.4 68.29 Favored 'General case' 0 C--N 1.306 -1.306 0 O-C-N 121.758 -0.848 . . . . 22.059999999999999 111.11 -174.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -61.35 -39.53 90.92 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 121.218 -0.926 . . . . 25.920000000000002 112.723 175.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.94 -47.84 83.08 Favored 'General case' 0 C--O 1.26 1.62 0 O-C-N 121.483 -0.76 . . . . 12.81 111.69 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 t -60.94 -38.28 78.96 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.381 0 CA-C-O 123.029 1.395 . . . . 13.109999999999999 109.454 -178.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -67.17 -42.04 84.94 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-N 114.941 -1.027 . . . . 19.289999999999999 111.484 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.16 92.2 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-O 122.437 1.113 . . . . 12.779999999999999 110.72 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.46 -40.66 93.48 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 121.787 0.803 . . . . 13.67 112.05 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.44 -46.12 89.65 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 108.239 -1.023 . . . . 12.470000000000001 108.239 176.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.0 mt -72.28 -37.01 69.12 Favored 'General case' 0 C--O 1.173 -2.941 0 N-CA-C 106.78 -1.563 . . . . 14.09 106.78 -171.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -79.79 -41.67 21.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.728 0 O-C-N 121.083 -1.011 . . . . 16.280000000000001 111.812 -174.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 64.4 m -82.8 -11.7 58.06 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 117.341 -1.744 . . . . 16.629999999999999 113.532 -173.0 -57.424 -68.491 -77.961 101.16 2.001 106.742 -47.403 -58.59 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 50.21 -131.99 29.3 Favored Glycine 0 CA--C 1.526 0.762 0 C-N-CA 120.494 -0.86 . . . . 23.23 113.034 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -69.11 -22.73 63.96 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 115.846 1.795 . . . . 58.280000000000001 115.846 -175.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 1.003 ' HG2' ' O ' ' A' 2013 ' ' HOH . 3.5 mpp_? -53.46 -46.53 69.94 Favored 'General case' 0 C--O 1.198 -1.65 0 CA-C-N 115.516 -0.766 . . . . 30.0 111.125 169.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.52 -173.2 55.17 Favored Glycine 0 C--O 1.251 1.207 0 C-N-CA 118.864 -1.636 . . . . 23.07 111.125 -162.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -161.68 169.1 22.17 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.191 -1.004 . . . . 17.390000000000001 109.879 -169.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . . . -118.62 129.13 55.14 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 104.225 -2.509 . . . . 23.809999999999999 104.225 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -113.84 112.64 23.71 Favored 'General case' 0 C--O 1.275 2.433 0 C-N-CA 126.18 1.792 . . . . 22.620000000000001 113.404 170.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 3.4 m -128.27 100.46 23.11 Favored Pre-proline 0 CA--C 1.502 -0.89 0 N-CA-C 106.921 -1.511 . . . . 34.229999999999997 106.921 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -81.24 -1.81 11.31 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 O-C-N 123.905 1.476 . . . . 50.990000000000002 108.54 -177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt . . . . . 0 C--O 1.245 0.834 0 C-N-CA 124.595 1.158 . . . . 82.900000000000006 109.129 171.281 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2013 ' ' HOH . . . . . 1.003 ' O ' ' HG2' ' B' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_