data_4rwb_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 4rwb _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 ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.283 . . . . . . . . 29.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.56 -45.15 32.39 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 122.533 2.155 . . . . 27.0 114.917 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.9 mt -67.92 -37.08 81.23 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 120.894 -0.322 . . . . 26.219999999999999 110.793 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.32 -44.03 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.614 0.766 . . . . 29.649999999999999 110.548 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.89 -48.53 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.111 -0.95 . . . . 21.98 110.292 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.9 -50.84 67.78 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.317 1.599 . . . . 18.27 115.317 174.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.23 89.91 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.482 -0.781 . . . . 15.630000000000001 110.113 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.1 m -68.03 -42.22 80.92 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-N 116.416 -0.357 . . . . 16.670000000000002 111.403 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.69 -43.78 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 107.237 -1.394 . . . . 17.449999999999999 107.237 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.47 -44.48 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.346 -0.843 . . . . 16.760000000000002 112.031 -174.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.06 85.84 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.144 0.973 . . . . 15.43 111.444 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.59 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 N-CA-C 114.314 1.227 . . . . 15.300000000000001 114.314 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.77 -38.33 90.7 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.683 0.614 . . . . 16.5 110.281 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -59.51 -47.3 86.06 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 122.345 1.069 . . . . 24.609999999999999 110.518 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.57 -51.45 68.57 Favored 'General case' 0 C--O 1.292 3.325 0 CA-C-N 115.428 -0.805 . . . . 20.960000000000001 112.372 178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.1 mt -56.33 -51.18 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 114.775 -1.102 . . . . 16.52 110.012 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.95 -39.98 87.4 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 120.625 -0.43 . . . . 23.170000000000002 110.797 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -60.94 -46.49 90.48 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.377 -0.827 . . . . 28.949999999999999 112.301 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.01 -48.28 87.17 Favored 'Isoleucine or valine' 0 C--O 1.264 1.838 0 O-C-N 122.06 -0.4 . . . . 21.989999999999998 111.794 174.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.06 -40.25 92.95 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.45 -0.5 . . . . 26.559999999999999 110.105 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.96 -41.67 98.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.547 . . . . 29.75 112.181 175.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -61.64 -38.67 88.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 113.264 0.838 . . . . 33.770000000000003 113.264 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.33 -27.78 66.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.2 0.445 . . . . 33.200000000000003 112.2 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 117.106 -0.043 . . . . 27.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 31.530000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PRO . . . . . 0.409 ' HG3' H162 ' A' ' 102' ' ' MPG . 54.1 Cg_exo -53.02 -39.58 79.07 Favored 'Trans proline' 0 C--N 1.329 -0.485 0 C-N-CA 123.474 2.783 . . . . 29.829999999999998 116.83 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.55 -35.7 70.71 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.93 -1.108 . . . . 26.170000000000002 111.219 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.11 -46.34 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 124.468 1.105 . . . . 31.629999999999999 110.149 175.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.61 -50.4 79.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.102 -0.954 . . . . 25.370000000000001 109.788 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.46 76.05 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.782 0.676 . . . . 18.43 111.88 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.5 92.41 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 124.017 0.823 . . . . 14.67 109.101 -177.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.6 m -68.89 -40.57 79.14 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.825 1.046 . . . . 17.760000000000002 113.825 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.24 -45.01 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.499 -0.926 . . . . 15.529999999999999 108.499 177.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.12 -40.37 85.16 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 CA-C-N 115.752 -0.658 . . . . 16.030000000000001 110.553 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.75 99.65 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.677 0.751 . . . . 16.48 111.023 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.49 -38.86 83.46 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 CA-C-N 115.331 -0.85 . . . . 19.57 113.028 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.36 -42.88 95.96 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 121.371 0.605 . . . . 24.289999999999999 110.79 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.88 -54.4 29.69 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.435 -0.802 . . . . 24.440000000000001 111.572 172.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 63.2 tp -52.05 -47.1 65.26 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 113.35 0.87 . . . . 21.91 113.35 177.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.29 -48.21 88.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 115.36 -0.837 . . . . 18.280000000000001 109.811 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.14 -41.09 95.13 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 112.619 0.6 . . . . 24.739999999999998 112.619 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -61.46 -48.58 80.46 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-N 116.199 -0.455 . . . . 27.469999999999999 111.336 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.11 -43.68 85.88 Favored 'Isoleucine or valine' 0 C--O 1.26 1.638 0 N-CA-C 114.742 1.386 . . . . 23.609999999999999 114.742 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.92 -43.05 89.25 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 110.035 -0.357 . . . . 29.859999999999999 110.035 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.11 -49.2 78.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.311 0.577 . . . . 49.289999999999999 110.646 177.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -67.81 -26.93 66.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.894 -0.594 . . . . 50.369999999999997 112.258 -176.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 92.18 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.864 -1.532 . . . . 52.280000000000001 106.864 174.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.041 0 O-C-N 123.02 0.2 . . . . 52.969999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' MPG . . . . . 0.409 H162 ' HG3' ' B' ' 25' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.283 . . . . . . . . 29.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.56 -45.15 32.39 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 122.533 2.155 . . . . 27.0 114.917 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.9 mt -67.92 -37.08 81.23 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 120.894 -0.322 . . . . 26.219999999999999 110.793 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.32 -44.03 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.614 0.766 . . . . 29.649999999999999 110.548 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.89 -48.53 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.111 -0.95 . . . . 21.98 110.292 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.9 -50.84 67.78 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.317 1.599 . . . . 18.27 115.317 174.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.23 89.91 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.482 -0.781 . . . . 15.59 110.113 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.1 m -68.03 -42.22 80.92 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-N 116.416 -0.357 . . . . 16.670000000000002 111.403 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.69 -43.78 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 107.237 -1.394 . . . . 17.449999999999999 107.237 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.47 -44.48 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.346 -0.843 . . . . 16.690000000000001 112.031 -174.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.06 85.84 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.144 0.973 . . . . 15.43 111.444 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.59 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 N-CA-C 114.314 1.227 . . . . 15.300000000000001 114.314 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.77 -38.33 90.7 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.683 0.614 . . . . 19.140000000000001 110.281 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -59.51 -47.3 86.06 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 122.345 1.069 . . . . 24.609999999999999 110.518 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.57 -51.45 68.57 Favored 'General case' 0 C--O 1.292 3.325 0 CA-C-N 115.428 -0.805 . . . . 20.960000000000001 112.372 178.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.1 mt -56.33 -51.18 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 114.775 -1.102 . . . . 16.52 110.012 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.95 -39.98 87.4 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 120.625 -0.43 . . . . 23.170000000000002 110.797 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -60.94 -46.49 90.48 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.377 -0.827 . . . . 28.949999999999999 112.301 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.01 -48.28 87.17 Favored 'Isoleucine or valine' 0 C--O 1.264 1.838 0 O-C-N 122.06 -0.4 . . . . 21.989999999999998 111.794 174.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.06 -40.25 92.95 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.45 -0.5 . . . . 26.559999999999999 110.105 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.96 -41.67 98.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.547 . . . . 29.75 112.181 175.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -61.64 -38.67 88.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 113.264 0.838 . . . . 33.770000000000003 113.264 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.33 -27.78 66.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.2 0.445 . . . . 33.200000000000003 112.2 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 117.106 -0.043 . . . . 27.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 31.530000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.02 -39.58 79.07 Favored 'Trans proline' 0 C--N 1.329 -0.485 0 C-N-CA 123.474 2.783 . . . . 29.829999999999998 116.83 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.55 -35.7 70.71 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.93 -1.108 . . . . 26.170000000000002 111.219 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.11 -46.34 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 124.468 1.105 . . . . 31.629999999999999 110.149 175.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.61 -50.4 79.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.102 -0.954 . . . . 25.370000000000001 109.788 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.46 76.05 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.782 0.676 . . . . 17.77 111.88 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.5 92.41 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 124.017 0.823 . . . . 14.34 109.101 -177.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.6 m -68.89 -40.57 79.14 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.825 1.046 . . . . 17.73 113.825 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.24 -45.01 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.499 -0.926 . . . . 15.529999999999999 108.499 177.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.12 -40.37 85.16 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 CA-C-N 115.752 -0.658 . . . . 16.030000000000001 110.553 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.75 99.65 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.677 0.751 . . . . 16.48 111.023 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.49 -38.86 83.46 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 CA-C-N 115.331 -0.85 . . . . 19.57 113.028 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.36 -42.88 95.96 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 121.371 0.605 . . . . 24.289999999999999 110.79 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.88 -54.4 29.69 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.435 -0.802 . . . . 24.440000000000001 111.572 172.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 63.2 tp -52.05 -47.1 65.26 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 113.35 0.87 . . . . 21.91 113.35 177.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.29 -48.21 88.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 115.36 -0.837 . . . . 18.280000000000001 109.811 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.14 -41.09 95.13 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 112.619 0.6 . . . . 24.739999999999998 112.619 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -61.46 -48.58 80.46 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-N 116.199 -0.455 . . . . 27.469999999999999 111.336 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.11 -43.68 85.88 Favored 'Isoleucine or valine' 0 C--O 1.26 1.638 0 N-CA-C 114.742 1.386 . . . . 23.609999999999999 114.742 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.92 -43.05 89.25 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 110.035 -0.357 . . . . 29.859999999999999 110.035 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.11 -49.2 78.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.311 0.577 . . . . 49.289999999999999 110.646 177.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -67.81 -26.93 66.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.894 -0.594 . . . . 50.369999999999997 112.258 -176.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 92.18 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.864 -1.532 . . . . 52.280000000000001 106.864 174.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.041 0 O-C-N 123.02 0.2 . . . . 52.969999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.283 . . . . . . . . 29.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -49.56 -45.15 32.39 Favored 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 122.533 2.155 . . . . 27.0 114.917 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.9 mt -67.92 -37.08 81.23 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 120.894 -0.322 . . . . 26.219999999999999 110.793 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.32 -44.03 87.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.614 0.766 . . . . 29.649999999999999 110.548 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.89 -48.53 83.88 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.633 0 CA-C-N 115.111 -0.95 . . . . 21.98 110.292 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.9 -50.84 67.78 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 115.317 1.599 . . . . 18.27 115.317 174.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.23 89.91 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.482 -0.781 . . . . 15.59 110.113 -179.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.1 m -68.03 -42.22 80.92 Favored 'General case' 0 C--O 1.27 2.137 0 CA-C-N 116.416 -0.357 . . . . 16.670000000000002 111.403 -178.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.69 -43.78 98.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 107.237 -1.394 . . . . 17.449999999999999 107.237 -179.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.9 mt -66.47 -44.48 90.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.346 -0.843 . . . . 16.690000000000001 112.031 -174.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.75 -44.06 85.84 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 122.144 0.973 . . . . 15.43 111.444 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.59 -40.47 89.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.289 0 N-CA-C 114.314 1.227 . . . . 15.300000000000001 114.314 177.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 mt -63.77 -38.33 90.7 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.683 0.614 . . . . 19.140000000000001 110.281 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -59.51 -47.3 86.06 Favored 'General case' 0 C--O 1.242 0.704 0 CA-C-O 122.345 1.069 . . . . 24.609999999999999 110.518 175.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.57 -51.45 68.57 Favored 'General case' 0 C--O 1.292 3.325 0 CA-C-N 115.428 -0.805 . . . . 20.960000000000001 112.372 178.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.1 mt -56.33 -51.18 66.85 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 CA-C-N 114.775 -1.102 . . . . 16.52 110.012 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.95 -39.98 87.4 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 120.625 -0.43 . . . . 23.170000000000002 110.797 -175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -60.94 -46.49 90.48 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.377 -0.827 . . . . 28.949999999999999 112.301 175.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 78.0 mt -59.01 -48.28 87.17 Favored 'Isoleucine or valine' 0 C--O 1.264 1.838 0 O-C-N 122.06 -0.4 . . . . 21.989999999999998 111.794 174.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.06 -40.25 92.95 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 120.45 -0.5 . . . . 26.559999999999999 110.105 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.96 -41.67 98.25 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 120.334 -0.547 . . . . 29.75 112.181 175.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.4 mmp_? -61.64 -38.67 88.53 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 113.264 0.838 . . . . 33.770000000000003 113.264 175.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.33 -27.78 66.58 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.2 0.445 . . . . 33.200000000000003 112.2 177.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 117.106 -0.043 . . . . 27.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 31.530000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -53.02 -39.58 79.07 Favored 'Trans proline' 0 C--N 1.329 -0.485 0 C-N-CA 123.474 2.783 . . . . 29.829999999999998 116.83 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.55 -35.7 70.71 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 118.93 -1.108 . . . . 26.170000000000002 111.219 178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.1 t -59.11 -46.34 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 124.468 1.105 . . . . 31.629999999999999 110.149 175.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.61 -50.4 79.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 CA-C-N 115.102 -0.954 . . . . 25.370000000000001 109.788 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.46 76.05 Favored 'General case' 0 C--O 1.241 0.615 0 O-C-N 123.782 0.676 . . . . 17.77 111.88 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.99 -39.5 92.41 Favored 'General case' 0 N--CA 1.446 -0.659 0 O-C-N 124.017 0.823 . . . . 14.34 109.101 -177.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.6 m -68.89 -40.57 79.14 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 113.825 1.046 . . . . 17.73 113.825 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.6 mt -62.24 -45.01 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 108.499 -0.926 . . . . 15.529999999999999 108.499 177.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -67.12 -40.37 85.16 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 CA-C-N 115.752 -0.658 . . . . 16.030000000000001 110.553 -174.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.36 -42.75 99.65 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 121.677 0.751 . . . . 16.48 111.023 178.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.49 -38.86 83.46 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 CA-C-N 115.331 -0.85 . . . . 19.57 113.028 177.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.36 -42.88 95.96 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-O 121.371 0.605 . . . . 24.289999999999999 110.79 175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -51.88 -54.4 29.69 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 115.435 -0.802 . . . . 24.440000000000001 111.572 172.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 63.2 tp -52.05 -47.1 65.26 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 113.35 0.87 . . . . 21.91 113.35 177.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 47.8 mt -63.29 -48.21 88.48 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.577 0 CA-C-N 115.36 -0.837 . . . . 18.280000000000001 109.811 179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.9 mt -65.14 -41.09 95.13 Favored 'General case' 0 C--O 1.247 0.931 0 N-CA-C 112.619 0.6 . . . . 24.739999999999998 112.619 -178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.1 t90 -61.46 -48.58 80.46 Favored 'General case' 0 C--O 1.252 1.188 0 CA-C-N 116.199 -0.455 . . . . 27.469999999999999 111.336 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 84.5 mt -58.11 -43.68 85.88 Favored 'Isoleucine or valine' 0 C--O 1.26 1.638 0 N-CA-C 114.742 1.386 . . . . 23.609999999999999 114.742 176.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.7 mt -65.92 -43.05 89.25 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 110.035 -0.357 . . . . 29.859999999999999 110.035 179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -61.11 -49.2 78.25 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.311 0.577 . . . . 49.289999999999999 110.646 177.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 34.9 tpt85 -67.81 -26.93 66.32 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.894 -0.594 . . . . 50.369999999999997 112.258 -176.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.98 92.18 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 106.864 -1.532 . . . . 52.280000000000001 106.864 174.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.041 0 O-C-N 123.02 0.2 . . . . 52.969999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' MPG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_