data_1w5l_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 1w5l _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' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.99 -0.745 . . . . 89.560000000000002 108.99 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 mmt -60.8 -30.83 70.3 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.203 0.314 . . . . 71.900000000000006 110.544 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -36.41 52.79 Favored 'General case' 0 C--O 1.214 -0.797 0 C-N-CA 122.731 0.412 . . . . 69.25 111.908 -176.699 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -40.24 96.15 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.349 -0.54 . . . . 66.390000000000001 110.84 173.211 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.5 mt -69.85 -50.27 50.38 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.563 0.745 . . . . 49.359999999999999 112.232 -178.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -53.64 -46.55 70.58 Favored 'General case' 0 C--O 1.204 -1.318 0 C-N-CA 123.005 0.522 . . . . 57.840000000000003 110.986 173.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.22 -44.72 75.68 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 118.929 -0.557 . . . . 40.670000000000002 110.792 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.6 -32.39 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 118.218 0.463 . . . . 47.560000000000002 111.636 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.4 mt -63.98 -43.17 96.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.528 0.731 . . . . 33.399999999999999 110.569 -179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.58 -38.34 80.92 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.064 0.946 . . . . 44.240000000000002 109.707 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.33 -45.46 62.92 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.048 -0.978 . . . . 43.350000000000001 112.492 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.0 mt -56.2 -42.71 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.481 0.712 . . . . 30.329999999999998 111.759 170.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.08 85.31 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 116.683 -0.235 . . . . 32.780000000000001 110.98 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -66.07 -39.37 90.02 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 125.863 1.665 . . . . 33.140000000000001 110.59 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -37.07 81.81 Favored 'General case' 0 C--O 1.203 -1.365 0 CA-C-N 115.548 -0.751 . . . . 49.909999999999997 110.111 173.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.46 -44.55 92.94 Favored Glycine 0 C--O 1.201 -1.932 0 O-C-N 121.951 -0.468 . . . . 28.399999999999999 111.976 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -58.58 -41.09 84.93 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 122.905 0.482 . . . . 36.609999999999999 111.905 171.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -63.05 -42.27 99.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.514 0.931 . . . . 39.850000000000001 113.514 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.51 -43.19 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 122.887 0.475 . . . . 32.740000000000002 112.197 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.4 m -61.27 -34.38 75.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.608 0.596 . . . . 38.049999999999997 112.608 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -69.98 -38.58 76.08 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 118.464 0.574 . . . . 47.5 111.384 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.57 -45.96 92.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.16 -0.311 . . . . 37.960000000000001 110.16 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.8 mt -63.3 -36.27 83.12 Favored 'General case' 0 C--O 1.201 -1.499 0 O-C-N 123.582 0.551 . . . . 40.759999999999998 112.118 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.052 0.76 . . . . 46.310000000000002 113.052 172.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.79 -41.94 92.3 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.759 0.424 . . . . 67.209999999999994 110.248 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.44 -37.71 71.34 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 C-N-CA 124.182 0.993 . . . . 53.270000000000003 111.996 -174.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -61.43 -51.04 70.37 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.383 -0.599 . . . . 62.409999999999997 109.383 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -56.35 -43.15 78.84 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 115.573 1.694 . . . . 65.180000000000007 115.573 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.65 -36.06 73.53 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 118.316 0.507 . . . . 62.810000000000002 111.06 173.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.37 0.4 37.52 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.853 1.056 . . . . 66.469999999999999 113.853 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.23 4.7 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-O 121.615 0.564 . . . . 68.590000000000003 112.258 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.461 . . . . 72.629999999999995 110.851 -177.535 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 113.125 0.787 . . . . 82.560000000000002 113.125 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 21.8 tpp -67.55 -25.57 65.88 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.157 0.435 . . . . 74.170000000000002 110.825 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 -36.97 65.66 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 122.651 0.381 . . . . 76.400000000000006 110.58 173.875 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.93 -21.23 59.32 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 122.425 0.29 . . . . 69.409999999999997 110.837 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.85 -46.96 45.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.96 -0.756 . . . . 57.700000000000003 108.96 172.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.44 -33.92 76.99 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.678 0.611 . . . . 59.640000000000001 109.901 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.32 -43.14 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.642 0.377 . . . . 53.93 111.288 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -39.84 73.57 Favored 'General case' 0 C--O 1.199 -1.558 0 N-CA-C 112.761 0.652 . . . . 48.259999999999998 112.761 -178.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.03 -43.09 77.46 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 111.708 0.262 . . . . 38.719999999999999 111.708 173.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . 0.514 ' O ' ' OG ' ' B' ' 14' ' ' SER . 27.7 mm-40 -70.92 -29.38 65.41 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 112.558 0.577 . . . . 50.850000000000001 112.558 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -71.11 -38.9 72.33 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 122.107 0.163 . . . . 46.909999999999997 111.029 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.24 -44.54 83.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 121.226 0.536 . . . . 32.649999999999999 110.759 176.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -49.25 77.99 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.244 -0.91 . . . . 35.539999999999999 110.672 -179.705 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . 0.514 ' OG ' ' O ' ' B' ' 10' ' ' GLU . 2.9 m -55.86 -51.75 66.46 Favored 'General case' 0 C--O 1.19 -2.036 0 C-N-CA 123.85 0.86 . . . . 33.57 112.61 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -60.93 -31.85 71.38 Favored 'General case' 0 C--O 1.209 -1.057 0 N-CA-C 112.827 0.677 . . . . 38.960000000000001 112.827 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.29 -38.71 62.72 Favored Glycine 0 C--O 1.212 -1.247 0 N-CA-C 110.981 -0.848 . . . . 28.079999999999998 110.981 175.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -62.11 -45.45 93.43 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 118.83 -0.605 . . . . 36.049999999999997 110.022 168.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . 0.529 ' CD2' ' OE1' ' B' ' 22' ' ' GLU . 86.7 t60 -59.62 -44.84 93.3 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 118.621 0.646 . . . . 39.609999999999999 111.321 178.163 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.62 -43.92 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 119.141 -1.024 . . . . 32.340000000000003 108.279 -175.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . 0.305 0.0 OUTLIER -75.54 -24.09 56.69 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 118.933 -1.107 . . . . 45.939999999999998 112.316 -171.348 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -66.8 -38.08 85.81 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 113.91 1.078 . . . . 35.100000000000001 113.91 164.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . 0.529 ' OE1' ' CD2' ' B' ' 18' ' ' HIS . 33.1 mt-10 -68.4 -40.68 81.21 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.322 0.964 . . . . 47.600000000000001 110.072 179.131 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.33 -28.28 67.85 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.971 1.1 . . . . 37.609999999999999 113.971 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.89 61.82 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.115 0.566 . . . . 40.210000000000001 110.502 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -63.59 -40.66 97.51 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.86 -0.336 . . . . 63.789999999999999 110.735 170.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.3 mt -65.28 -41.3 91.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.403 -0.519 . . . . 49.270000000000003 110.628 -177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -63.75 -34.71 78.51 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.16 0.584 . . . . 60.719999999999999 111.213 177.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.29 -52.44 47.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.667 0.787 . . . . 69.180000000000007 112.137 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.54 -22.86 66.75 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.218 1.192 . . . . 67.040000000000006 114.218 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -90.06 -23.22 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.539 0.57 . . . . 73.069999999999993 112.539 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.6 -20.24 69.21 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 121.517 -0.373 . . . . 78.349999999999994 112.387 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.62 -13.85 38.9 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.051 0.389 . . . . 83.579999999999998 112.051 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.174 0.512 . . . . 95.890000000000001 111.036 164.407 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' 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 build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.99 -0.745 . . . . 89.56 108.99 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 mmt -60.8 -30.83 70.3 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.203 0.314 . . . . 71.9 110.544 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -36.41 52.79 Favored 'General case' 0 C--O 1.214 -0.797 0 C-N-CA 122.731 0.412 . . . . 69.25 111.908 -176.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -40.24 96.15 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.349 -0.54 . . . . 66.39 110.84 173.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 86.5 mt -69.85 -50.27 50.38 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.563 0.745 . . . . 49.36 112.232 -178.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -53.64 -46.55 70.58 Favored 'General case' 0 C--O 1.204 -1.318 0 C-N-CA 123.005 0.522 . . . . 57.84 110.986 173.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.22 -44.72 75.68 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 118.929 -0.557 . . . . 40.67 110.792 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.6 -32.39 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 118.218 0.463 . . . . 47.56 111.636 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' ILE . 39.4 mt -63.98 -43.17 96.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.528 0.731 . . . . 33.4 110.569 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.58 -38.34 80.92 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.064 0.946 . . . . 44.24 109.707 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.33 -45.46 62.92 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.048 -0.978 . . . . 43.35 112.492 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.0 mt -56.2 -42.71 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.481 0.712 . . . . 30.33 111.759 170.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.08 85.31 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 116.683 -0.235 . . . . 32.78 110.98 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -66.07 -39.37 90.02 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 125.863 1.665 . . . . 33.14 110.59 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -37.07 81.81 Favored 'General case' 0 C--O 1.203 -1.365 0 CA-C-N 115.548 -0.751 . . . . 49.91 110.111 173.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.46 -44.55 92.94 Favored Glycine 0 C--O 1.201 -1.932 0 O-C-N 121.951 -0.468 . . . . 28.4 111.976 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CE1' ' HE2' ' B' ' 15' ' ' LYS . 18.0 m-85 -58.58 -41.09 84.93 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 122.905 0.482 . . . . 36.61 111.905 171.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -63.05 -42.27 99.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.514 0.931 . . . . 39.85 113.514 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.51 -43.19 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 122.887 0.475 . . . . 32.74 112.197 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.4 m -61.27 -34.38 75.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.608 0.596 . . . . 38.05 112.608 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -69.98 -38.58 76.08 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 118.464 0.574 . . . . 47.5 111.384 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.57 -45.96 92.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.16 -0.311 . . . . 37.96 110.16 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.64 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 21.8 mt -63.3 -36.27 83.12 Favored 'General case' 0 C--O 1.201 -1.499 0 O-C-N 123.582 0.551 . . . . 40.76 112.118 -179.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.052 0.76 . . . . 46.31 113.052 172.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.79 -41.94 92.3 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.759 0.424 . . . . 67.21 110.248 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.44 -37.71 71.34 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 C-N-CA 124.182 0.993 . . . . 53.27 111.996 -174.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 11.0 mtmt -61.43 -51.04 70.37 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.383 -0.599 . . . . 62.41 109.383 177.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -56.35 -43.15 78.84 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 115.573 1.694 . . . . 65.18 115.573 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.65 -36.06 73.53 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 118.316 0.507 . . . . 62.81 111.06 173.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.37 0.4 37.52 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.853 1.056 . . . . 66.47 113.853 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.23 4.7 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-O 121.615 0.564 . . . . 68.59 112.258 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.461 . . . . 72.63 110.851 -177.535 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 113.125 0.787 . . . . 82.56 113.125 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 21.8 tpp -67.55 -25.57 65.88 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.157 0.435 . . . . 74.17 110.825 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 -36.97 65.66 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 122.651 0.381 . . . . 76.4 110.58 173.875 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.93 -21.23 59.32 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 122.425 0.29 . . . . 69.41 110.837 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.85 -46.96 45.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.96 -0.756 . . . . 57.7 108.96 172.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.44 -33.92 76.99 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.678 0.611 . . . . 59.64 109.901 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.32 -43.14 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.642 0.377 . . . . 53.93 111.288 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -39.84 73.57 Favored 'General case' 0 C--O 1.199 -1.558 0 N-CA-C 112.761 0.652 . . . . 48.26 112.761 -178.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.03 -43.09 77.46 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 111.708 0.262 . . . . 38.72 111.708 173.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' B' ' 14' ' ' SER . 27.7 mm-40 -70.92 -29.38 65.41 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 112.558 0.577 . . . . 50.85 112.558 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -71.11 -38.9 72.33 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 122.107 0.163 . . . . 46.91 111.029 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.24 -44.54 83.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 121.226 0.536 . . . . 32.65 110.759 176.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -49.25 77.99 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.244 -0.91 . . . . 35.54 110.672 -179.705 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' B' ' 10' ' ' GLU . 2.9 m -55.86 -51.75 66.46 Favored 'General case' 0 C--O 1.19 -2.036 0 C-N-CA 123.85 0.86 . . . . 33.57 112.61 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.492 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 2.2 tttp -60.93 -31.85 71.38 Favored 'General case' 0 C--O 1.209 -1.057 0 N-CA-C 112.827 0.677 . . . . 38.96 112.827 179.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.29 -38.71 62.72 Favored Glycine 0 C--O 1.212 -1.247 0 N-CA-C 110.981 -0.848 . . . . 28.08 110.981 175.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -62.11 -45.45 93.43 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 118.83 -0.605 . . . . 36.05 110.022 168.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . 0.529 ' CD2' ' OE1' ' B' ' 22' ' ' GLU . 86.7 t60 -59.62 -44.84 93.3 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 118.621 0.646 . . . . 39.61 111.321 178.163 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.62 -43.92 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 119.141 -1.024 . . . . 32.34 108.279 -175.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . 0.305 0.0 OUTLIER -75.54 -24.09 56.69 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 118.933 -1.107 . . . . 45.94 112.316 -171.348 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -66.8 -38.08 85.81 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 113.91 1.078 . . . . 35.1 113.91 164.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . 0.529 ' OE1' ' CD2' ' B' ' 18' ' ' HIS . 33.1 mt-10 -68.4 -40.68 81.21 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.322 0.964 . . . . 47.6 110.072 179.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.33 -28.28 67.85 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.971 1.1 . . . . 37.61 113.971 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.89 61.82 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.115 0.566 . . . . 40.21 110.502 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -63.59 -40.66 97.51 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.86 -0.336 . . . . 63.79 110.735 170.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . 0.425 HD11 ' HG2' ' A' ' 27' ' ' LYS . 64.3 mt -65.28 -41.3 91.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.403 -0.519 . . . . 49.27 110.628 -177.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -63.75 -34.71 78.51 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.16 0.584 . . . . 60.72 111.213 177.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.29 -52.44 47.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.667 0.787 . . . . 69.18 112.137 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.54 -22.86 66.75 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.218 1.192 . . . . 67.04 114.218 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -90.06 -23.22 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.539 0.57 . . . . 73.07 112.539 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.6 -20.24 69.21 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 121.517 -0.373 . . . . 78.35 112.387 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.62 -13.85 38.9 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.051 0.389 . . . . 83.58 112.051 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.174 0.512 . . . . 95.89 111.036 164.407 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' 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 nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 108.99 -0.745 . . . . 89.560000000000002 108.99 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.2 mmt -60.8 -30.83 70.3 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.203 0.314 . . . . 71.900000000000006 110.544 173.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -36.41 52.79 Favored 'General case' 0 C--O 1.214 -0.797 0 C-N-CA 122.731 0.412 . . . . 69.25 111.908 -176.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -40.24 96.15 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.349 -0.54 . . . . 66.390000000000001 110.84 173.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 86.5 mt -69.85 -50.27 50.38 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.024 0 C-N-CA 123.563 0.745 . . . . 49.359999999999999 112.232 -178.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -53.64 -46.55 70.58 Favored 'General case' 0 C--O 1.204 -1.318 0 C-N-CA 123.005 0.522 . . . . 57.840000000000003 110.986 173.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -55.22 -44.72 75.68 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 118.929 -0.557 . . . . 40.670000000000002 110.792 -179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -70.6 -32.39 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 CA-C-N 118.218 0.463 . . . . 47.560000000000002 111.636 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 5' ' ' ILE . 39.4 mt -63.98 -43.17 96.53 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 123.528 0.731 . . . . 33.399999999999999 110.569 -179.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -59.58 -38.34 80.92 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.064 0.946 . . . . 44.240000000000002 109.707 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -71.33 -45.46 62.92 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.048 -0.978 . . . . 43.350000000000001 112.492 179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.0 mt -56.2 -42.71 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.481 0.712 . . . . 30.329999999999998 111.759 170.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -40.08 85.31 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 116.683 -0.235 . . . . 32.780000000000001 110.98 -178.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.4 t -66.07 -39.37 90.02 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 125.863 1.665 . . . . 33.140000000000001 110.59 -175.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.26 -37.07 81.81 Favored 'General case' 0 C--O 1.203 -1.365 0 CA-C-N 115.548 -0.751 . . . . 49.909999999999997 110.111 173.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.46 -44.55 92.94 Favored Glycine 0 C--O 1.201 -1.932 0 O-C-N 121.951 -0.468 . . . . 28.399999999999999 111.976 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.492 ' CE1' ' HE2' ' B' ' 15' ' ' LYS . 18.0 m-85 -58.58 -41.09 84.93 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 122.905 0.482 . . . . 36.609999999999999 111.905 171.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -63.05 -42.27 99.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 N-CA-C 113.514 0.931 . . . . 39.850000000000001 113.514 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.8 mt -59.51 -43.19 90.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 C-N-CA 122.887 0.475 . . . . 32.740000000000002 112.197 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.4 m -61.27 -34.38 75.09 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.608 0.596 . . . . 38.049999999999997 112.608 176.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -69.98 -38.58 76.08 Favored 'General case' 0 CA--C 1.501 -0.926 0 CA-C-N 118.464 0.574 . . . . 47.5 111.384 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.57 -45.96 92.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 110.16 -0.311 . . . . 37.960000000000001 110.16 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.64 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 21.8 mt -63.3 -36.27 83.12 Favored 'General case' 0 C--O 1.201 -1.499 0 O-C-N 123.582 0.551 . . . . 40.759999999999998 112.118 -179.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.63 -49.85 75.86 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 113.052 0.76 . . . . 46.310000000000002 113.052 172.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -59.79 -41.94 92.3 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 122.759 0.424 . . . . 67.209999999999994 110.248 175.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.3 mt -70.44 -37.71 71.34 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.023 0 C-N-CA 124.182 0.993 . . . . 53.270000000000003 111.996 -174.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' HG3' ' O ' ' A' ' 23' ' ' LEU . 11.0 mtmt -61.43 -51.04 70.37 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 109.383 -0.599 . . . . 62.409999999999997 109.383 177.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -56.35 -43.15 78.84 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 115.573 1.694 . . . . 65.180000000000007 115.573 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.65 -36.06 73.53 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 118.316 0.507 . . . . 62.810000000000002 111.06 173.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 84.7 mt -81.37 0.4 37.52 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.853 1.056 . . . . 66.469999999999999 113.853 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.24 -35.23 4.7 Favored Glycine 0 C--N 1.335 0.527 0 CA-C-O 121.615 0.564 . . . . 68.590000000000003 112.258 178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.322 -0.625 0 CA-C-N 115.277 -0.461 . . . . 72.629999999999995 110.851 -177.535 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 113.125 0.787 . . . . 82.560000000000002 113.125 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 21.8 tpp -67.55 -25.57 65.88 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.157 0.435 . . . . 74.170000000000002 110.825 173.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.57 -36.97 65.66 Favored 'General case' 0 C--O 1.211 -0.944 0 C-N-CA 122.651 0.381 . . . . 76.400000000000006 110.58 173.875 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -74.93 -21.23 59.32 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 122.425 0.29 . . . . 69.409999999999997 110.837 179.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 36.8 mt -73.85 -46.96 45.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 108.96 -0.756 . . . . 57.700000000000003 108.96 172.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -64.44 -33.92 76.99 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.678 0.611 . . . . 59.640000000000001 109.901 -179.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -67.32 -43.14 82.35 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.642 0.377 . . . . 53.93 111.288 177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.6 -39.84 73.57 Favored 'General case' 0 C--O 1.199 -1.558 0 N-CA-C 112.761 0.652 . . . . 48.259999999999998 112.761 -178.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.03 -43.09 77.46 Favored 'General case' 0 C--O 1.211 -0.974 0 N-CA-C 111.708 0.262 . . . . 38.719999999999999 111.708 173.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.406 ' O ' ' OG ' ' B' ' 14' ' ' SER . 27.7 mm-40 -70.92 -29.38 65.41 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 112.558 0.577 . . . . 50.850000000000001 112.558 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -71.11 -38.9 72.33 Favored 'General case' 0 C--O 1.205 -1.259 0 C-N-CA 122.107 0.163 . . . . 46.909999999999997 111.029 175.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -68.24 -44.54 83.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.984 0 CA-C-O 121.226 0.536 . . . . 32.649999999999999 110.759 176.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.15 -49.25 77.99 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.244 -0.91 . . . . 35.539999999999999 110.672 -179.705 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' B' ' 10' ' ' GLU . 2.9 m -55.86 -51.75 66.46 Favored 'General case' 0 C--O 1.19 -2.036 0 C-N-CA 123.85 0.86 . . . . 33.57 112.61 -179.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.492 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 2.2 tttp -60.93 -31.85 71.38 Favored 'General case' 0 C--O 1.209 -1.057 0 N-CA-C 112.827 0.677 . . . . 38.960000000000001 112.827 179.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.29 -38.71 62.72 Favored Glycine 0 C--O 1.212 -1.247 0 N-CA-C 110.981 -0.848 . . . . 28.079999999999998 110.981 175.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -62.11 -45.45 93.43 Favored 'General case' 0 CA--C 1.5 -0.956 0 CA-C-O 118.83 -0.605 . . . . 36.049999999999997 110.022 168.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.529 ' CD2' ' OE1' ' B' ' 22' ' ' GLU . 86.7 t60 -59.62 -44.84 93.3 Favored 'General case' 0 CA--C 1.502 -0.866 0 CA-C-N 118.621 0.646 . . . . 39.609999999999999 111.321 178.163 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 11.9 mt -63.62 -43.92 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.582 0 C-N-CA 119.141 -1.024 . . . . 32.340000000000003 108.279 -175.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . 0.305 0.0 OUTLIER -75.54 -24.09 56.69 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 118.933 -1.107 . . . . 45.939999999999998 112.316 -171.348 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -66.8 -38.08 85.81 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 113.91 1.078 . . . . 35.100000000000001 113.91 164.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.529 ' OE1' ' CD2' ' B' ' 18' ' ' HIS . 33.1 mt-10 -68.4 -40.68 81.21 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.322 0.964 . . . . 47.600000000000001 110.072 179.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.9 mt -67.33 -28.28 67.85 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 113.971 1.1 . . . . 37.609999999999999 113.971 176.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.89 61.82 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.115 0.566 . . . . 40.210000000000001 110.502 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -63.59 -40.66 97.51 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.86 -0.336 . . . . 63.789999999999999 110.735 170.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.425 HD11 ' HG2' ' A' ' 27' ' ' LYS . 64.3 mt -65.28 -41.3 91.11 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.403 -0.519 . . . . 49.270000000000003 110.628 -177.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -63.75 -34.71 78.51 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 123.16 0.584 . . . . 60.719999999999999 111.213 177.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -66.29 -52.44 47.4 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 123.667 0.787 . . . . 69.180000000000007 112.137 179.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 96.6 mt -65.54 -22.86 66.75 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.218 1.192 . . . . 67.040000000000006 114.218 -179.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 58.8 mt -90.06 -23.22 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.539 0.57 . . . . 73.069999999999993 112.539 178.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.6 -20.24 69.21 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 121.517 -0.373 . . . . 78.349999999999994 112.387 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -88.62 -13.85 38.9 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.051 0.389 . . . . 83.579999999999998 112.051 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 9.9 mtp180 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.174 0.512 . . . . 95.890000000000001 111.036 164.407 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' 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 stop_ save_