data_2wfu_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 2wfu _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 1.49 2.287 0 N-CA-C 110.598 -1.001 . . . . 28.23 110.598 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.0 p -59.6 -39.32 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.839 1.051 . . . . 26.789999999999999 113.839 -174.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.2 -47.73 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.817 0.818 . . . . 25.41 110.817 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.83 -42.32 93.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 117.375 -1.73 . . . . 35.939999999999998 112.419 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -77.22 -33.09 56.27 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.504 1.668 . . . . 24.84 115.504 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -120.0 -9.91 9.55 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.301 1.223 . . . . 25.120000000000001 114.301 -167.335 -62.593 -75.65 106.839 103.134 2.043 102.938 -158.791 67.803 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -113.26 -50.27 2.87 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.839 0.456 . . . . 26.210000000000001 111.29 177.086 167.48 52.765 102.574 105.18 2.019 103.672 -74.598 -66.806 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . 0.787 ' NH2' ' O ' ' A' 2007 ' ' HOH . 74.0 mtp85 -74.19 -15.4 61.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.317 0.858 . . . . 37.600000000000001 113.317 176.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.37 162.44 38.18 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 105.04 -2.208 . . . . 31.23 105.04 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -83.34 155.11 23.72 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.108 -1.437 . . . . 28.760000000000002 108.245 170.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -137.86 161.34 36.88 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.209 -0.997 . . . . 25.5 110.115 176.856 67.803 -158.791 106.839 102.938 2.043 103.134 -75.65 -62.593 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.9 p -77.09 163.67 26.41 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 106.929 -1.508 . . . . 23.940000000000001 106.929 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.69 -36.95 85.54 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.415 -0.914 . . . . 28.440000000000001 112.175 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 p -66.58 -30.28 70.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.385 -0.926 . . . . 28.91 111.586 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -67.01 -45.2 78.27 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.481 0.549 . . . . 24.539999999999999 112.481 173.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.43 -54.01 43.04 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.914 -0.773 . . . . 25.66 108.914 173.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.54 -34.28 61.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.016 1.117 . . . . 42.890000000000001 114.016 179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.52 63.17 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.981 -0.449 . . . . 25.850000000000001 111.422 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -90.42 1.02 57.03 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 112.204 0.446 . . . . 29.079999999999998 112.204 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -68.96 160.32 31.08 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.652 0.595 . . . . 29.949999999999999 110.207 171.553 -60.875 -62.808 -75.033 103.385 1.988 101.273 -60.433 -56.395 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -78.02 144.07 36.96 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.458 0.647 . . . . 37.229999999999997 110.778 165.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.308 -0.86 . . . . 34.420000000000002 108.952 170.447 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 121.678 0.751 . . . . 39.649999999999999 110.612 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -146.55 161.58 40.18 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 117.67 -1.612 . . . . 33.420000000000002 111.058 -173.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -137.5 149.91 47.15 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.548 -1.261 . . . . 27.399999999999999 110.208 170.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -142.08 123.09 14.54 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 107.104 -1.443 . . . . 36.609999999999999 107.104 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.63 139.06 26.36 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 123.768 0.667 . . . . 25.449999999999999 111.885 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -129.8 157.31 42.57 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 108.619 -0.882 . . . . 30.539999999999999 108.619 -177.611 -66.806 -74.598 102.574 103.672 2.019 105.18 52.765 167.48 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.36 -145.6 46.76 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-O 119.303 -0.72 . . . . 30.07 112.569 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -55.9 -36.13 95.14 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.682 3.588 . . . . 30.420000000000002 114.136 -174.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.53 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.235 0.334 . . . . 24.260000000000002 110.741 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.97 -41.58 70.83 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.372 -1.344 . . . . 23.350000000000001 107.372 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 39.0 mmt -65.2 -37.58 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.931 -1.108 . . . . 42.859999999999999 110.365 178.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASP . . . . . 0.8 ' OD2' ' O ' ' B' 2012 ' ' HOH . 81.8 m-20 -65.73 -37.76 87.29 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.737 0.78 . . . . 30.649999999999999 111.833 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.5 mmm -67.12 -44.42 79.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.148 -0.933 . . . . 34.490000000000002 112.015 177.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 18.5 mt -60.81 -37.97 83.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 120.166 -0.614 . . . . 27.289999999999999 111.246 174.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -58.52 -47.59 83.63 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 120.851 -0.34 . . . . 39.329999999999998 111.33 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.0 m -82.12 -27.88 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 113.588 0.959 . . . . 26.539999999999999 113.588 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.17 58.87 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 117.946 0.339 . . . . 27.399999999999999 111.899 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 61.6 m -112.13 118.13 46.59 Favored Pre-proline 0 C--O 1.216 -0.704 0 C-N-CA 119.449 -0.9 . . . . 33.659999999999997 109.805 -169.679 -56.395 -60.433 -75.033 101.273 1.988 103.385 -62.808 -60.875 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -71.44 -47.75 0.48 Allowed 'Trans proline' 0 C--O 1.242 0.716 0 O-C-N 122.888 0.941 . . . . 38.859999999999999 111.507 -178.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -91.64 8.91 34.56 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.126 0.787 . . . . 44.420000000000002 113.126 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.74 -163.06 34.82 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 115.563 0.985 . . . . 43.93 115.563 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.72 153.27 16.77 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 107.857 -1.164 . . . . 46.399999999999999 107.857 -172.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -144.27 -8.06 0.69 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 118.659 2.837 . . . . 48.439999999999998 118.659 -175.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.133 1.16 . . . . 48.18 114.133 -178.668 . . . . . . . . 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 . . . . . 0.787 ' O ' ' NH2' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud 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 orig full ' B' B 2012 ' ' HOH . . . . . 0.8 ' O ' ' OD2' ' B' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 110.598 -1.001 . . . . 28.23 110.598 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.451 HG11 HD11 ' B' ' 14' ' ' LEU . 9.0 p -59.6 -39.32 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.839 1.051 . . . . 26.79 113.839 -174.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.2 -47.73 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.817 0.818 . . . . 25.41 110.817 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.83 -42.32 93.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 117.375 -1.73 . . . . 35.94 112.419 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -77.22 -33.09 56.27 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.504 1.668 . . . . 24.84 115.504 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -120.0 -9.91 9.55 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.301 1.223 . . . . 25.12 114.301 -167.335 -62.593 -75.65 106.839 103.134 2.043 102.938 -158.791 67.803 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -113.26 -50.27 2.87 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.839 0.456 . . . . 26.21 111.29 177.086 167.48 52.765 102.574 105.18 2.019 103.672 -74.598 -66.806 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . 0.787 ' NH2' ' O ' ' A' 2007 ' ' HOH . 74.0 mtp85 -74.19 -15.4 61.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.317 0.858 . . . . 37.6 113.317 176.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.37 162.44 38.18 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 105.04 -2.208 . . . . 31.23 105.04 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -83.34 155.11 23.72 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.108 -1.437 . . . . 28.76 108.245 170.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -137.86 161.34 36.88 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.209 -0.997 . . . . 25.5 110.115 176.856 67.803 -158.791 106.839 102.938 2.043 103.134 -75.65 -62.593 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.9 p -77.09 163.67 26.41 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 106.929 -1.508 . . . . 23.94 106.929 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.69 -36.95 85.54 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.415 -0.914 . . . . 28.44 112.175 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 p -66.58 -30.28 70.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.385 -0.926 . . . . 28.91 111.586 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -67.01 -45.2 78.27 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.481 0.549 . . . . 24.54 112.481 173.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.43 -54.01 43.04 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.914 -0.773 . . . . 25.66 108.914 173.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.54 -34.28 61.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.016 1.117 . . . . 42.89 114.016 179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.52 63.17 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.981 -0.449 . . . . 25.85 111.422 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -90.42 1.02 57.03 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 112.204 0.446 . . . . 29.08 112.204 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -68.96 160.32 31.08 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.652 0.595 . . . . 29.95 110.207 171.553 -60.875 -62.808 -75.033 103.385 1.988 101.273 -60.433 -56.395 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -78.02 144.07 36.96 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.458 0.647 . . . . 37.23 110.778 165.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.308 -0.86 . . . . 34.42 108.952 170.447 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 41.8 t-20 . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 121.678 0.751 . . . . 39.65 110.612 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -146.55 161.58 40.18 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 117.67 -1.612 . . . . 33.42 111.058 -173.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -137.5 149.91 47.15 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.548 -1.261 . . . . 27.4 110.208 170.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -142.08 123.09 14.54 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 107.104 -1.443 . . . . 36.61 107.104 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.63 139.06 26.36 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 123.768 0.667 . . . . 25.45 111.885 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -129.8 157.31 42.57 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 108.619 -0.882 . . . . 30.54 108.619 -177.611 -66.806 -74.598 102.574 103.672 2.019 105.18 52.765 167.48 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.36 -145.6 46.76 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-O 119.303 -0.72 . . . . 30.07 112.569 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -55.9 -36.13 95.14 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.682 3.588 . . . . 30.42 114.136 -174.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.53 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.235 0.334 . . . . 24.26 110.741 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.97 -41.58 70.83 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.372 -1.344 . . . . 23.35 107.372 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 39.0 mmt -65.2 -37.58 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.931 -1.108 . . . . 42.86 110.365 178.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASP . . . . . 0.8 ' OD2' ' O ' ' B' 2012 ' ' HOH . 81.8 m-20 -65.73 -37.76 87.29 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.737 0.78 . . . . 30.65 111.833 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.5 mmm -67.12 -44.42 79.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.148 -0.933 . . . . 34.49 112.015 177.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . 0.451 HD11 HG11 ' A' ' 2' ' ' VAL . 18.5 mt -60.81 -37.97 83.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 120.166 -0.614 . . . . 27.29 111.246 174.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -58.52 -47.59 83.63 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 120.851 -0.34 . . . . 39.33 111.33 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.0 m -82.12 -27.88 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 113.588 0.959 . . . . 26.54 113.588 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.17 58.87 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 117.946 0.339 . . . . 27.4 111.899 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 61.6 m -112.13 118.13 46.59 Favored Pre-proline 0 C--O 1.216 -0.704 0 C-N-CA 119.449 -0.9 . . . . 33.66 109.805 -169.679 -56.395 -60.433 -75.033 101.273 1.988 103.385 -62.808 -60.875 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -71.44 -47.75 0.48 Allowed 'Trans proline' 0 C--O 1.242 0.716 0 O-C-N 122.888 0.941 . . . . 38.86 111.507 -178.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -91.64 8.91 34.56 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.126 0.787 . . . . 44.42 113.126 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.74 -163.06 34.82 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 115.563 0.985 . . . . 43.93 115.563 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.72 153.27 16.77 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 107.857 -1.164 . . . . 46.4 107.857 -172.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.27 -8.06 0.69 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 118.659 2.837 . . . . 48.44 118.659 -175.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.133 1.16 . . . . 48.18 114.133 -178.668 . . . . . . . . 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 . . . . . 0.787 ' O ' ' NH2' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 build full ' B' B 2012 ' ' HOH . . . . . 0.8 ' O ' ' OD2' ' B' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.287 0 N-CA-C 110.598 -1.001 . . . . 28.23 110.598 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.451 HG11 HD11 ' B' ' 14' ' ' LEU . 9.0 p -59.6 -39.32 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 N-CA-C 113.839 1.051 . . . . 26.79 113.839 -174.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.6 t -62.2 -47.73 91.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-O 121.817 0.818 . . . . 25.41 110.817 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.83 -42.32 93.28 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 117.375 -1.73 . . . . 35.94 112.419 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -77.22 -33.09 56.27 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 115.504 1.668 . . . . 24.84 115.504 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.1 m -120.0 -9.91 9.55 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 114.301 1.223 . . . . 25.12 114.301 -167.335 -62.593 -75.65 106.839 103.134 2.043 102.938 -158.791 67.803 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 t -113.26 -50.27 2.87 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.839 0.456 . . . . 26.21 111.29 177.086 167.48 52.765 102.574 105.18 2.019 103.672 -74.598 -66.806 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.787 ' NH2' ' O ' ' A' 2007 ' ' HOH . 74.0 mtp85 -74.19 -15.4 61.01 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.317 0.858 . . . . 37.6 113.317 176.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -146.37 162.44 38.18 Favored 'General case' 0 C--O 1.246 0.888 0 N-CA-C 105.04 -2.208 . . . . 31.23 105.04 179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -83.34 155.11 23.72 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 118.108 -1.437 . . . . 28.76 108.245 170.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -137.86 161.34 36.88 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.209 -0.997 . . . . 25.5 110.115 176.856 67.803 -158.791 106.839 102.938 2.043 103.134 -75.65 -62.593 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.9 p -77.09 163.67 26.41 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 106.929 -1.508 . . . . 23.94 106.929 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -63.69 -36.95 85.54 Favored 'General case' 0 N--CA 1.436 -1.172 0 C-N-CA 119.415 -0.914 . . . . 28.44 112.175 176.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.1 p -66.58 -30.28 70.54 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 119.385 -0.926 . . . . 28.91 111.586 179.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -67.01 -45.2 78.27 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 112.481 0.549 . . . . 24.54 112.481 173.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.9 tp -53.43 -54.01 43.04 Favored 'General case' 0 C--O 1.203 -1.368 0 N-CA-C 108.914 -0.773 . . . . 25.66 108.914 173.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -54.54 -34.28 61.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 114.016 1.117 . . . . 42.89 114.016 179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.02 -16.52 63.17 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 121.981 -0.449 . . . . 25.85 111.422 -179.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -90.42 1.02 57.03 Favored 'General case' 0 C--O 1.242 0.696 0 N-CA-C 112.204 0.446 . . . . 29.08 112.204 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.6 m -68.96 160.32 31.08 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 123.652 0.595 . . . . 29.95 110.207 171.553 -60.875 -62.808 -75.033 103.385 1.988 101.273 -60.433 -56.395 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -78.02 144.07 36.96 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.458 0.647 . . . . 37.23 110.778 165.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.308 -0.86 . . . . 34.42 108.952 170.447 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 121.678 0.751 . . . . 39.65 110.612 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -146.55 161.58 40.18 Favored 'General case' 0 CA--C 1.495 -1.165 0 C-N-CA 117.67 -1.612 . . . . 33.42 111.058 -173.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -137.5 149.91 47.15 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.548 -1.261 . . . . 27.4 110.208 170.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.7 ttt180 -142.08 123.09 14.54 Favored 'General case' 0 N--CA 1.422 -1.855 0 N-CA-C 107.104 -1.443 . . . . 36.61 107.104 177.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -145.63 139.06 26.36 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 123.768 0.667 . . . . 25.45 111.885 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 89.5 m -129.8 157.31 42.57 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 108.619 -0.882 . . . . 30.54 108.619 -177.611 -66.806 -74.598 102.574 103.672 2.019 105.18 52.765 167.48 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.36 -145.6 46.76 Favored Glycine 0 CA--C 1.524 0.621 0 CA-C-O 119.303 -0.72 . . . . 30.07 112.569 177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -55.9 -36.13 95.14 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 124.682 3.588 . . . . 30.42 114.136 -174.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.53 82.25 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 123.235 0.334 . . . . 24.26 110.741 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 50.7 tp -70.97 -41.58 70.83 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.372 -1.344 . . . . 23.35 107.372 -177.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 39.0 mmt -65.2 -37.58 87.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 118.931 -1.108 . . . . 42.86 110.365 178.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.8 ' OD2' ' O ' ' B' 2012 ' ' HOH . 81.8 m-20 -65.73 -37.76 87.29 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-O 121.737 0.78 . . . . 30.65 111.833 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 27.5 mmm -67.12 -44.42 79.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.148 -0.933 . . . . 34.49 112.015 177.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.451 HD11 HG11 ' A' ' 2' ' ' VAL . 18.5 mt -60.81 -37.97 83.79 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 120.166 -0.614 . . . . 27.29 111.246 174.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -58.52 -47.59 83.63 Favored 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 120.851 -0.34 . . . . 39.33 111.33 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 35.0 m -82.12 -27.88 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 N-CA-C 113.588 0.959 . . . . 26.54 113.588 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.81 -22.17 58.87 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 117.946 0.339 . . . . 27.4 111.899 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 61.6 m -112.13 118.13 46.59 Favored Pre-proline 0 C--O 1.216 -0.704 0 C-N-CA 119.449 -0.9 . . . . 33.66 109.805 -169.679 -56.395 -60.433 -75.033 101.273 1.988 103.385 -62.808 -60.875 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -71.44 -47.75 0.48 Allowed 'Trans proline' 0 C--O 1.242 0.716 0 O-C-N 122.888 0.941 . . . . 38.86 111.507 -178.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -91.64 8.91 34.56 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.126 0.787 . . . . 44.42 113.126 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.74 -163.06 34.82 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 115.563 0.985 . . . . 43.93 115.563 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -162.72 153.27 16.77 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 107.857 -1.164 . . . . 46.4 107.857 -172.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -144.27 -8.06 0.69 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 118.659 2.837 . . . . 48.44 118.659 -175.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.47 0.543 0 N-CA-C 114.133 1.16 . . . . 48.18 114.133 -178.668 . . . . . . . . 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 . . . . . 0.787 ' O ' ' NH2' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . 001 ecloud nobuild full ' B' B 2012 ' ' HOH . . . . . 0.8 ' O ' ' OD2' ' B' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_