data_1w5h_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 1w5h _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 ' 2' ' ' MET . . . . . 1.489 ' CE ' ' SD ' ' A' ' 2' ' ' MET 0.288 0.0 OUTLIER . . . . . 0 CA--C 1.608 3.194 1 N-CA-C 127.867 6.247 . . . . 77.930000000000007 127.867 . . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -76.99 -12.27 59.92 Favored 'General case' 1 C--O 1.337 5.698 0 O-C-N 118.779 -2.451 . . . . 68.0 112.583 151.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -60.61 -57.68 11.7 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 101.411 -3.551 . . . . 67.390000000000001 101.411 167.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.73 -35.48 75.28 Favored 'Isoleucine or valine' 0 C--O 1.261 1.701 0 C-N-CA 126.457 1.903 . . . . 62.729999999999997 109.671 -170.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -26.6 20.93 Favored 'General case' 0 C--O 1.154 -3.965 0 N-CA-C 102.812 -3.032 . . . . 69.730000000000004 102.812 -159.071 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -85.97 -11.93 51.73 Favored 'General case' 0 CA--C 1.609 3.249 0 N-CA-C 115.595 1.702 . . . . 61.789999999999999 115.595 171.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -80.38 -44.97 18.51 Favored 'General case' 0 C--O 1.178 -2.684 0 O-C-N 117.17 -3.456 . . . . 57.689999999999998 108.494 173.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.2 mt -41.22 -35.8 0.66 Allowed 'General case' 1 C--O 1.149 -4.187 1 N-CA-C 122.374 4.213 . . . . 58.149999999999999 122.374 161.785 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . . . -77.6 -39.82 44.18 Favored 'General case' 0 C--N 1.259 -3.342 0 CA-C-O 115.138 -2.363 . . . . 52.670000000000002 116.508 167.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -56.56 -51.83 67.1 Favored 'General case' 0 N--CA 1.506 2.373 0 N-CA-C 104.454 -2.424 . . . . 52.0 104.454 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -48.75 -49.75 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.886 0 CA-C-O 122.574 1.178 . . . . 45.479999999999997 112.631 174.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 mt -50.16 -46.1 53.87 Favored 'General case' 1 N--CA 1.548 4.44 0 N-CA-C 117.215 2.302 . . . . 49.810000000000002 117.215 169.635 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 p -69.12 -45.84 69.17 Favored 'General case' 0 N--CA 1.404 -2.74 0 CA-C-O 113.814 -2.993 . . . . 62.289999999999999 105.532 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -63.59 -36.14 82.83 Favored 'General case' 0 C--O 1.196 -1.736 0 CA-C-N 121.812 2.096 . . . . 53.549999999999997 115.239 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.23 -38.03 78.96 Favored 'General case' 0 C--O 1.171 -3.031 0 N-CA-C 121.103 3.742 . . . . 39.439999999999998 121.103 168.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -64.66 -42.27 95.52 Favored 'General case' 1 C--O 1.112 -6.149 1 CA-C-O 111.339 -4.172 . . . . 70.650000000000006 119.292 157.895 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.375 . . -56.67 -38.89 72.83 Favored 'General case' 0 N--CA 1.403 -2.778 1 CA-C-N 128.106 4.957 . . . . 46.0 110.085 171.115 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.275 31.8 mt -57.85 -49.6 80.5 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.024 0 O-C-N 125.674 1.859 . . . . 41.840000000000003 112.881 -176.417 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -60.65 -37.48 81.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 116.727 -1.606 . . . . 40.399999999999999 112.983 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.18 -45.98 91.28 Favored 'General case' 0 C--O 1.264 1.86 0 O-C-N 124.589 1.181 . . . . 51.939999999999998 112.163 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.09 -37.88 84.72 Favored 'General case' 0 C--O 1.177 -2.733 0 CA-C-O 115.653 -2.118 . . . . 75.180000000000007 114.666 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.0 -32.23 71.64 Favored 'General case' 0 N--CA 1.527 3.412 0 CA-C-N 124.654 3.388 . . . . 43.850000000000001 112.737 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.53 82.95 Favored 'General case' 0 N--CA 1.419 -2.017 0 N-CA-C 114.625 1.343 . . . . 44.82 114.625 173.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -65.23 -52.83 52.15 Favored 'General case' 0 C--O 1.158 -3.725 0 CA-C-O 116.292 -1.813 . . . . 81.939999999999998 107.823 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 mt -41.37 -50.49 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.401 -2.876 0 CA-C-N 123.948 3.067 . . . . 51.670000000000002 114.311 167.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -45.39 90.33 Favored 'General case' 0 N--CA 1.409 -2.484 0 N-CA-C 115.977 1.843 . . . . 65.379999999999995 115.977 -178.194 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -49.5 -48.94 47.64 Favored 'General case' 1 N--CA 1.541 4.076 0 N-CA-C 117.076 2.25 . . . . 63.609999999999999 117.076 161.146 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' LEU . 7.5 mt -62.4 -61.21 2.61 Favored 'General case' 0 N--CA 1.39 -3.439 0 CA-C-N 122.087 2.221 . . . . 69.269999999999996 116.097 165.583 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' LEU . 46.1 mt -35.23 -30.26 0.01 OUTLIER 'General case' 0 C--O 1.28 2.666 0 CA-C-N 121.108 1.776 . . . . 71.019999999999996 115.13 173.401 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -85.36 -31.2 22.9 Favored Glycine 0 CA--C 1.561 2.926 0 N-CA-C 123.03 3.972 . . . . 75.790000000000006 123.03 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.364 1.235 0 N-CA-C 104.048 -2.575 . . . . 74.269999999999996 104.048 152.419 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . 0.302 5.9 tpp . . . . . 0 CA--C 1.596 2.72 0 CA-C-O 121.338 0.59 . . . . 79.219999999999999 112.005 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . . . -73.13 -24.22 60.58 Favored 'General case' 0 CA--C 1.465 -2.3 0 N-CA-C 102.271 -3.233 . . . . 63.700000000000003 102.271 171.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . . . -82.49 -33.83 28.21 Favored 'General case' 1 C--O 1.135 -4.943 0 CA-C-N 120.863 1.665 . . . . 58.060000000000002 107.061 -179.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.0 mt -63.36 -49.15 84.04 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.361 0 O-C-N 116.751 -3.718 . . . . 56.960000000000001 108.564 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . . . -53.7 -38.15 63.95 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 118.036 2.606 . . . . 49.57 118.036 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -70.49 -35.65 73.36 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.82 -1.082 . . . . 60.159999999999997 113.686 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . . . -67.66 -52.75 34.36 Favored 'General case' 1 CA--C 1.42 -4.057 0 C-N-CA 126.042 1.737 . . . . 51.25 113.629 172.127 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 32.0 mt -49.41 -48.91 46.81 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.381 -0.97 . . . . 42.280000000000001 108.381 173.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . . . -60.05 -38.44 82.8 Favored 'General case' 0 N--CA 1.517 2.913 1 CA-C-O 129.997 4.713 . . . . 54.799999999999997 112.349 176.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . . . -73.78 -32.64 63.88 Favored 'General case' 0 C--N 1.258 -3.381 1 O-C-N 112.962 -6.086 . . . . 56.100000000000001 118.633 173.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -60.77 -46.46 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.428 -3.722 0 O-C-N 119.565 -1.959 . . . . 40.609999999999999 109.982 168.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 mt -59.02 -37.4 76.84 Favored 'General case' 1 CA--C 1.374 -5.805 0 N-CA-C 115.511 1.671 . . . . 42.189999999999998 115.511 177.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -70.19 -30.43 67.55 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 113.795 1.035 . . . . 52.270000000000003 113.795 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.23 -34.65 70.98 Favored 'General case' 0 N--CA 1.403 -2.806 0 N-CA-C 117.428 2.381 . . . . 41.75 117.428 167.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.4 -50.15 70.5 Favored 'General case' 0 CA--C 1.442 -3.191 0 N-CA-C 118.025 2.602 . . . . 41.229999999999997 118.025 163.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.89 -41.22 97.78 Favored 'General case' 0 C--N 1.262 -3.237 0 N-CA-C 107.315 -1.365 . . . . 61.350000000000001 107.315 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -63.57 -36.65 84.49 Favored 'General case' 2 N--CA 1.365 -4.724 0 N-CA-C 119.556 3.169 . . . . 65.459999999999994 119.556 177.842 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.2 mt -60.2 -41.67 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.436 -3.405 0 O-C-N 119.623 -1.923 . . . . 47.950000000000003 109.925 168.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 m -57.22 -40.55 77.73 Favored 'General case' 1 C--O 1.347 6.217 0 CA-C-O 126.95 3.262 . . . . 44.920000000000002 114.717 172.893 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -66.86 -55.05 16.47 Favored 'General case' 1 C--O 1.133 -5.071 0 O-C-N 117.176 -3.452 . . . . 49.109999999999999 112.732 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -37.61 -50.74 1.17 Allowed 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 120.421 3.489 . . . . 80.420000000000002 120.421 164.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.93 -35.11 79.25 Favored 'General case' 0 C--N 1.247 -3.882 0 O-C-N 117.708 -3.12 . . . . 50.780000000000001 115.808 173.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.57 61.86 Favored 'General case' 0 N--CA 1.513 2.702 0 N-CA-C 116.656 2.095 . . . . 55.049999999999997 116.656 -175.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . . . -86.36 -37.42 18.47 Favored 'General case' 1 N--CA 1.351 -5.42 0 O-C-N 127.767 3.167 . . . . 56.759999999999998 116.277 174.308 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . 0.558 ' O ' ' C ' ' B' ' 27' ' ' LYS . 31.0 mt -62.06 -51.35 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.849 0 N-CA-C 102.761 -3.051 . . . . 57.090000000000003 102.761 163.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . 0.558 ' C ' ' O ' ' B' ' 26' ' ' ILE . 0.3 OUTLIER -46.77 -26.97 1.06 Allowed 'General case' 0 CA--C 1.487 -1.455 1 O-C-N 116.049 -4.157 . . . . 69.790000000000006 112.156 173.097 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -73.98 -57.6 3.86 Favored 'General case' 0 N--CA 1.515 2.779 0 CA-C-N 121.765 2.075 . . . . 62.729999999999997 109.576 -167.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 29' ' ' LEU . 5.7 mp -36.74 -51.38 0.87 Allowed 'General case' 0 N--CA 1.397 -3.122 2 C-N-CA 133.183 4.593 . . . . 71.989999999999995 119.345 166.129 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.17 -24.04 54.76 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 123.84 1.781 . . . . 71.620000000000005 110.524 -175.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.32 -15.19 81.33 Favored Glycine 1 C--O 1.331 6.218 0 N-CA-C 120.816 3.086 . . . . 75.599999999999994 120.816 176.811 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.613 3.386 0 N-CA-C 100.249 -3.982 . . . . 84.290000000000006 100.249 153.217 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . 1.489 ' CE ' ' SD ' ' A' ' 2' ' ' MET 0.288 0.0 OUTLIER . . . . . 0 CA--C 1.608 3.194 1 N-CA-C 127.867 6.247 . . . . 77.93 127.867 . . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -76.99 -12.27 59.92 Favored 'General case' 1 C--O 1.337 5.698 0 O-C-N 118.779 -2.451 . . . . 68.0 112.583 151.582 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -60.61 -57.68 11.7 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 101.411 -3.551 . . . . 67.39 101.411 167.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.73 -35.48 75.28 Favored 'Isoleucine or valine' 0 C--O 1.261 1.701 0 C-N-CA 126.457 1.903 . . . . 62.73 109.671 -170.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -26.6 20.93 Favored 'General case' 0 C--O 1.154 -3.965 0 N-CA-C 102.812 -3.032 . . . . 69.73 102.812 -159.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -85.97 -11.93 51.73 Favored 'General case' 0 CA--C 1.609 3.249 0 N-CA-C 115.595 1.702 . . . . 61.79 115.595 171.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -80.38 -44.97 18.51 Favored 'General case' 0 C--O 1.178 -2.684 0 O-C-N 117.17 -3.456 . . . . 57.69 108.494 173.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.2 mt -41.22 -35.8 0.66 Allowed 'General case' 1 C--O 1.149 -4.187 1 N-CA-C 122.374 4.213 . . . . 58.15 122.374 161.785 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . . . -77.6 -39.82 44.18 Favored 'General case' 0 C--N 1.259 -3.342 0 CA-C-O 115.138 -2.363 . . . . 52.67 116.508 167.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -56.56 -51.83 67.1 Favored 'General case' 0 N--CA 1.506 2.373 0 N-CA-C 104.454 -2.424 . . . . 52.0 104.454 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -48.75 -49.75 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.886 0 CA-C-O 122.574 1.178 . . . . 45.48 112.631 174.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 mt -50.16 -46.1 53.87 Favored 'General case' 1 N--CA 1.548 4.44 0 N-CA-C 117.215 2.302 . . . . 49.81 117.215 169.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 p -69.12 -45.84 69.17 Favored 'General case' 0 N--CA 1.404 -2.74 0 CA-C-O 113.814 -2.993 . . . . 62.29 105.532 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -63.59 -36.14 82.83 Favored 'General case' 0 C--O 1.196 -1.736 0 CA-C-N 121.812 2.096 . . . . 53.55 115.239 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.23 -38.03 78.96 Favored 'General case' 0 C--O 1.171 -3.031 0 N-CA-C 121.103 3.742 . . . . 39.44 121.103 168.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -64.66 -42.27 95.52 Favored 'General case' 1 C--O 1.112 -6.149 1 CA-C-O 111.339 -4.172 . . . . 70.65 119.292 157.895 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.375 . . -56.67 -38.89 72.83 Favored 'General case' 0 N--CA 1.403 -2.778 1 CA-C-N 128.106 4.957 . . . . 46.0 110.085 171.115 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.275 31.8 mt -57.85 -49.6 80.5 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.024 0 O-C-N 125.674 1.859 . . . . 41.84 112.881 -176.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -60.65 -37.48 81.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 116.727 -1.606 . . . . 40.4 112.983 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.18 -45.98 91.28 Favored 'General case' 0 C--O 1.264 1.86 0 O-C-N 124.589 1.181 . . . . 51.94 112.163 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.09 -37.88 84.72 Favored 'General case' 0 C--O 1.177 -2.733 0 CA-C-O 115.653 -2.118 . . . . 75.18 114.666 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.0 -32.23 71.64 Favored 'General case' 0 N--CA 1.527 3.412 0 CA-C-N 124.654 3.388 . . . . 43.85 112.737 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.53 82.95 Favored 'General case' 0 N--CA 1.419 -2.017 0 N-CA-C 114.625 1.343 . . . . 44.82 114.625 173.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -65.23 -52.83 52.15 Favored 'General case' 0 C--O 1.158 -3.725 0 CA-C-O 116.292 -1.813 . . . . 81.94 107.823 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 mt -41.37 -50.49 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.401 -2.876 0 CA-C-N 123.948 3.067 . . . . 51.67 114.311 167.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -45.39 90.33 Favored 'General case' 0 N--CA 1.409 -2.484 0 N-CA-C 115.977 1.843 . . . . 65.38 115.977 -178.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -49.5 -48.94 47.64 Favored 'General case' 1 N--CA 1.541 4.076 0 N-CA-C 117.076 2.25 . . . . 63.61 117.076 161.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' LEU . 7.5 mt -62.4 -61.21 2.61 Favored 'General case' 0 N--CA 1.39 -3.439 0 CA-C-N 122.087 2.221 . . . . 69.27 116.097 165.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' LEU . 46.1 mt -35.23 -30.26 0.01 OUTLIER 'General case' 0 C--O 1.28 2.666 0 CA-C-N 121.108 1.776 . . . . 71.02 115.13 173.401 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -85.36 -31.2 22.9 Favored Glycine 0 CA--C 1.561 2.926 0 N-CA-C 123.03 3.972 . . . . 75.79 123.03 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.364 1.235 0 N-CA-C 104.048 -2.575 . . . . 74.27 104.048 152.419 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . 0.302 5.9 tpp . . . . . 0 CA--C 1.596 2.72 0 CA-C-O 121.338 0.59 . . . . 79.22 112.005 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . . . -73.13 -24.22 60.58 Favored 'General case' 0 CA--C 1.465 -2.3 0 N-CA-C 102.271 -3.233 . . . . 63.7 102.271 171.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . . . -82.49 -33.83 28.21 Favored 'General case' 1 C--O 1.135 -4.943 0 CA-C-N 120.863 1.665 . . . . 58.06 107.061 -179.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . 0.402 HD13 HD21 ' A' ' 30' ' ' LEU . 17.0 mt -63.36 -49.15 84.04 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.361 0 O-C-N 116.751 -3.718 . . . . 56.96 108.564 176.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . . . -53.7 -38.15 63.95 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 118.036 2.606 . . . . 49.57 118.036 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -70.49 -35.65 73.36 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.82 -1.082 . . . . 60.16 113.686 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . . . -67.66 -52.75 34.36 Favored 'General case' 1 CA--C 1.42 -4.057 0 C-N-CA 126.042 1.737 . . . . 51.25 113.629 172.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 9' ' ' LEU . 32.0 mt -49.41 -48.91 46.81 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.381 -0.97 . . . . 42.28 108.381 173.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . . . -60.05 -38.44 82.8 Favored 'General case' 0 N--CA 1.517 2.913 1 CA-C-O 129.997 4.713 . . . . 54.8 112.349 176.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . . . -73.78 -32.64 63.88 Favored 'General case' 0 C--N 1.258 -3.381 1 O-C-N 112.962 -6.086 . . . . 56.1 118.633 173.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -60.77 -46.46 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.428 -3.722 0 O-C-N 119.565 -1.959 . . . . 40.61 109.982 168.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 mt -59.02 -37.4 76.84 Favored 'General case' 1 CA--C 1.374 -5.805 0 N-CA-C 115.511 1.671 . . . . 42.19 115.511 177.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -70.19 -30.43 67.55 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 113.795 1.035 . . . . 52.27 113.795 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.23 -34.65 70.98 Favored 'General case' 0 N--CA 1.403 -2.806 0 N-CA-C 117.428 2.381 . . . . 41.75 117.428 167.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.4 -50.15 70.5 Favored 'General case' 0 CA--C 1.442 -3.191 0 N-CA-C 118.025 2.602 . . . . 41.23 118.025 163.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.89 -41.22 97.78 Favored 'General case' 0 C--N 1.262 -3.237 0 N-CA-C 107.315 -1.365 . . . . 61.35 107.315 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -63.57 -36.65 84.49 Favored 'General case' 2 N--CA 1.365 -4.724 0 N-CA-C 119.556 3.169 . . . . 65.46 119.556 177.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.2 mt -60.2 -41.67 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.436 -3.405 0 O-C-N 119.623 -1.923 . . . . 47.95 109.925 168.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 m -57.22 -40.55 77.73 Favored 'General case' 1 C--O 1.347 6.217 0 CA-C-O 126.95 3.262 . . . . 44.92 114.717 172.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -66.86 -55.05 16.47 Favored 'General case' 1 C--O 1.133 -5.071 0 O-C-N 117.176 -3.452 . . . . 49.11 112.732 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -37.61 -50.74 1.17 Allowed 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 120.421 3.489 . . . . 80.42 120.421 164.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.93 -35.11 79.25 Favored 'General case' 0 C--N 1.247 -3.882 0 O-C-N 117.708 -3.12 . . . . 50.78 115.808 173.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.57 61.86 Favored 'General case' 0 N--CA 1.513 2.702 0 N-CA-C 116.656 2.095 . . . . 55.05 116.656 -175.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.506 ' O ' HD13 ' B' ' 29' ' ' LEU . . . -86.36 -37.42 18.47 Favored 'General case' 1 N--CA 1.351 -5.42 0 O-C-N 127.767 3.167 . . . . 56.76 116.277 174.308 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . 0.558 ' O ' ' C ' ' B' ' 27' ' ' LYS . 31.0 mt -62.06 -51.35 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.849 0 N-CA-C 102.761 -3.051 . . . . 57.09 102.761 163.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.558 ' C ' ' O ' ' B' ' 26' ' ' ILE . 0.3 OUTLIER -46.77 -26.97 1.06 Allowed 'General case' 0 CA--C 1.487 -1.455 1 O-C-N 116.049 -4.157 . . . . 69.79 112.156 173.097 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -73.98 -57.6 3.86 Favored 'General case' 0 N--CA 1.515 2.779 0 CA-C-N 121.765 2.075 . . . . 62.73 109.576 -167.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.554 ' H ' ' CD1' ' B' ' 29' ' ' LEU . 5.7 mp -36.74 -51.38 0.87 Allowed 'General case' 0 N--CA 1.397 -3.122 2 C-N-CA 133.183 4.593 . . . . 71.99 119.345 166.129 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.17 -24.04 54.76 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 123.84 1.781 . . . . 71.62 110.524 -175.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.32 -15.19 81.33 Favored Glycine 1 C--O 1.331 6.218 0 N-CA-C 120.816 3.086 . . . . 75.6 120.816 176.811 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.613 3.386 0 N-CA-C 100.249 -3.982 . . . . 84.29 100.249 153.217 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . 1.489 ' CE ' ' SD ' ' A' ' 2' ' ' MET 0.288 0.0 OUTLIER . . . . . 0 CA--C 1.608 3.194 1 N-CA-C 127.867 6.247 . . . . 77.930000000000007 127.867 . . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -76.99 -12.27 59.92 Favored 'General case' 1 C--O 1.337 5.698 0 O-C-N 118.779 -2.451 . . . . 68.0 112.583 151.582 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . . . -60.61 -57.68 11.7 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 101.411 -3.551 . . . . 67.390000000000001 101.411 167.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 mt -65.73 -35.48 75.28 Favored 'Isoleucine or valine' 0 C--O 1.261 1.701 0 C-N-CA 126.457 1.903 . . . . 62.729999999999997 109.671 -170.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.4 -26.6 20.93 Favored 'General case' 0 C--O 1.154 -3.965 0 N-CA-C 102.812 -3.032 . . . . 69.730000000000004 102.812 -159.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . . . -85.97 -11.93 51.73 Favored 'General case' 0 CA--C 1.609 3.249 0 N-CA-C 115.595 1.702 . . . . 61.789999999999999 115.595 171.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -80.38 -44.97 18.51 Favored 'General case' 0 C--O 1.178 -2.684 0 O-C-N 117.17 -3.456 . . . . 57.689999999999998 108.494 173.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.2 mt -41.22 -35.8 0.66 Allowed 'General case' 1 C--O 1.149 -4.187 1 N-CA-C 122.374 4.213 . . . . 58.149999999999999 122.374 161.785 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . . . -77.6 -39.82 44.18 Favored 'General case' 0 C--N 1.259 -3.342 0 CA-C-O 115.138 -2.363 . . . . 52.670000000000002 116.508 167.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . -56.56 -51.83 67.1 Favored 'General case' 0 N--CA 1.506 2.373 0 N-CA-C 104.454 -2.424 . . . . 52.0 104.454 172.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -48.75 -49.75 14.26 Favored 'Isoleucine or valine' 1 N--CA 1.557 4.886 0 CA-C-O 122.574 1.178 . . . . 45.479999999999997 112.631 174.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.1 mt -50.16 -46.1 53.87 Favored 'General case' 1 N--CA 1.548 4.44 0 N-CA-C 117.215 2.302 . . . . 49.810000000000002 117.215 169.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 p -69.12 -45.84 69.17 Favored 'General case' 0 N--CA 1.404 -2.74 0 CA-C-O 113.814 -2.993 . . . . 62.289999999999999 105.532 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 mttp -63.59 -36.14 82.83 Favored 'General case' 0 C--O 1.196 -1.736 0 CA-C-N 121.812 2.096 . . . . 53.549999999999997 115.239 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.23 -38.03 78.96 Favored 'General case' 0 C--O 1.171 -3.031 0 N-CA-C 121.103 3.742 . . . . 39.439999999999998 121.103 168.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -64.66 -42.27 95.52 Favored 'General case' 1 C--O 1.112 -6.149 1 CA-C-O 111.339 -4.172 . . . . 70.650000000000006 119.292 157.895 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . 0.375 . . -56.67 -38.89 72.83 Favored 'General case' 0 N--CA 1.403 -2.778 1 CA-C-N 128.106 4.957 . . . . 46.0 110.085 171.115 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . 0.275 31.8 mt -57.85 -49.6 80.5 Favored 'Isoleucine or valine' 0 C--O 1.191 -2.024 0 O-C-N 125.674 1.859 . . . . 41.840000000000003 112.881 -176.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.2 m -60.65 -37.48 81.67 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 116.727 -1.606 . . . . 40.399999999999999 112.983 176.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -60.18 -45.98 91.28 Favored 'General case' 0 C--O 1.264 1.86 0 O-C-N 124.589 1.181 . . . . 51.939999999999998 112.163 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.09 -37.88 84.72 Favored 'General case' 0 C--O 1.177 -2.733 0 CA-C-O 115.653 -2.118 . . . . 75.180000000000007 114.666 176.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.0 -32.23 71.64 Favored 'General case' 0 N--CA 1.527 3.412 0 CA-C-N 124.654 3.388 . . . . 43.850000000000001 112.737 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.81 -41.53 82.95 Favored 'General case' 0 N--CA 1.419 -2.017 0 N-CA-C 114.625 1.343 . . . . 44.82 114.625 173.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -65.23 -52.83 52.15 Favored 'General case' 0 C--O 1.158 -3.725 0 CA-C-O 116.292 -1.813 . . . . 81.939999999999998 107.823 173.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.4 mt -41.37 -50.49 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.401 -2.876 0 CA-C-N 123.948 3.067 . . . . 51.670000000000002 114.311 167.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -45.39 90.33 Favored 'General case' 0 N--CA 1.409 -2.484 0 N-CA-C 115.977 1.843 . . . . 65.379999999999995 115.977 -178.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -49.5 -48.94 47.64 Favored 'General case' 1 N--CA 1.541 4.076 0 N-CA-C 117.076 2.25 . . . . 63.609999999999999 117.076 161.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 30' ' ' LEU . 7.5 mt -62.4 -61.21 2.61 Favored 'General case' 0 N--CA 1.39 -3.439 0 CA-C-N 122.087 2.221 . . . . 69.269999999999996 116.097 165.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 29' ' ' LEU . 46.1 mt -35.23 -30.26 0.01 OUTLIER 'General case' 0 C--O 1.28 2.666 0 CA-C-N 121.108 1.776 . . . . 71.019999999999996 115.13 173.401 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -85.36 -31.2 22.9 Favored Glycine 0 CA--C 1.561 2.926 0 N-CA-C 123.03 3.972 . . . . 75.790000000000006 123.03 -178.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 . . . . . 0 C--N 1.364 1.235 0 N-CA-C 104.048 -2.575 . . . . 74.269999999999996 104.048 152.419 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . 0.302 5.9 tpp . . . . . 0 CA--C 1.596 2.72 0 CA-C-O 121.338 0.59 . . . . 79.219999999999999 112.005 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . . . -73.13 -24.22 60.58 Favored 'General case' 0 CA--C 1.465 -2.3 0 N-CA-C 102.271 -3.233 . . . . 63.700000000000003 102.271 171.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . . . -82.49 -33.83 28.21 Favored 'General case' 1 C--O 1.135 -4.943 0 CA-C-N 120.863 1.665 . . . . 58.060000000000002 107.061 -179.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.402 HD13 HD21 ' A' ' 30' ' ' LEU . 17.0 mt -63.36 -49.15 84.04 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.361 0 O-C-N 116.751 -3.718 . . . . 56.960000000000001 108.564 176.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . . . -53.7 -38.15 63.95 Favored 'General case' 0 C--N 1.265 -3.071 0 N-CA-C 118.036 2.606 . . . . 49.57 118.036 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -70.49 -35.65 73.36 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.82 -1.082 . . . . 60.159999999999997 113.686 179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . . . -67.66 -52.75 34.36 Favored 'General case' 1 CA--C 1.42 -4.057 0 C-N-CA 126.042 1.737 . . . . 51.25 113.629 172.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 9' ' ' LEU . 32.0 mt -49.41 -48.91 46.81 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.381 -0.97 . . . . 42.280000000000001 108.381 173.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . . . -60.05 -38.44 82.8 Favored 'General case' 0 N--CA 1.517 2.913 1 CA-C-O 129.997 4.713 . . . . 54.799999999999997 112.349 176.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . . . -73.78 -32.64 63.88 Favored 'General case' 0 C--N 1.258 -3.381 1 O-C-N 112.962 -6.086 . . . . 56.100000000000001 118.633 173.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -60.77 -46.46 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.428 -3.722 0 O-C-N 119.565 -1.959 . . . . 40.609999999999999 109.982 168.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 mt -59.02 -37.4 76.84 Favored 'General case' 1 CA--C 1.374 -5.805 0 N-CA-C 115.511 1.671 . . . . 42.189999999999998 115.511 177.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 15.7 t -70.19 -30.43 67.55 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 113.795 1.035 . . . . 52.270000000000003 113.795 177.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . . . -71.23 -34.65 70.98 Favored 'General case' 0 N--CA 1.403 -2.806 0 N-CA-C 117.428 2.381 . . . . 41.75 117.428 167.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -55.4 -50.15 70.5 Favored 'General case' 0 CA--C 1.442 -3.191 0 N-CA-C 118.025 2.602 . . . . 41.229999999999997 118.025 163.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -63.89 -41.22 97.78 Favored 'General case' 0 C--N 1.262 -3.237 0 N-CA-C 107.315 -1.365 . . . . 61.350000000000001 107.315 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -63.57 -36.65 84.49 Favored 'General case' 2 N--CA 1.365 -4.724 0 N-CA-C 119.556 3.169 . . . . 65.459999999999994 119.556 177.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 24.2 mt -60.2 -41.67 87.59 Favored 'Isoleucine or valine' 0 CA--C 1.436 -3.405 0 O-C-N 119.623 -1.923 . . . . 47.950000000000003 109.925 168.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 m -57.22 -40.55 77.73 Favored 'General case' 1 C--O 1.347 6.217 0 CA-C-O 126.95 3.262 . . . . 44.920000000000002 114.717 172.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -66.86 -55.05 16.47 Favored 'General case' 1 C--O 1.133 -5.071 0 O-C-N 117.176 -3.452 . . . . 49.109999999999999 112.732 174.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -37.61 -50.74 1.17 Allowed 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 120.421 3.489 . . . . 80.420000000000002 120.421 164.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 58.6 mt -66.93 -35.11 79.25 Favored 'General case' 0 C--N 1.247 -3.882 0 O-C-N 117.708 -3.12 . . . . 50.780000000000001 115.808 173.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.57 61.86 Favored 'General case' 0 N--CA 1.513 2.702 0 N-CA-C 116.656 2.095 . . . . 55.049999999999997 116.656 -175.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.506 ' O ' HD13 ' B' ' 29' ' ' LEU . . . -86.36 -37.42 18.47 Favored 'General case' 1 N--CA 1.351 -5.42 0 O-C-N 127.767 3.167 . . . . 56.759999999999998 116.277 174.308 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.558 ' O ' ' C ' ' B' ' 27' ' ' LYS . 31.0 mt -62.06 -51.35 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.849 0 N-CA-C 102.761 -3.051 . . . . 57.090000000000003 102.761 163.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.558 ' C ' ' O ' ' B' ' 26' ' ' ILE . 0.3 OUTLIER -46.77 -26.97 1.06 Allowed 'General case' 0 CA--C 1.487 -1.455 1 O-C-N 116.049 -4.157 . . . . 69.790000000000006 112.156 173.097 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . . . -73.98 -57.6 3.86 Favored 'General case' 0 N--CA 1.515 2.779 0 CA-C-N 121.765 2.075 . . . . 62.729999999999997 109.576 -167.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.554 ' CD1' ' H ' ' B' ' 29' ' ' LEU . 5.7 mp -36.74 -51.38 0.87 Allowed 'General case' 0 N--CA 1.397 -3.122 2 C-N-CA 133.183 4.593 . . . . 71.989999999999995 119.345 166.129 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.17 -24.04 54.76 Favored 'General case' 0 C--N 1.291 -1.971 0 CA-C-O 123.84 1.781 . . . . 71.620000000000005 110.524 -175.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.32 -15.19 81.33 Favored Glycine 1 C--O 1.331 6.218 0 N-CA-C 120.816 3.086 . . . . 75.599999999999994 120.816 176.811 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.613 3.386 0 N-CA-C 100.249 -3.982 . . . . 84.290000000000006 100.249 153.217 . . . . . . . . 0 0 . 1 stop_ save_