data_6m5i_residue ############################ # Computer software used # ############################ 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 6m5i _Structure_validation_residue.Date_analyzed 2020-06-12 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 ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 . . . . . 0 C--O 1.237 0.431 0 N-CA-C 112.683 0.623 . . . . 115.0 112.683 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . 0.578 ' OD2' ' N ' ' B' ' 83' ' ' ASP . 2.1 p-10 -55.5 -47.57 76.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.046 -0.525 . . . . 123.65 112.108 -177.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -70.27 -38.18 75.03 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 111.769 0.285 . . . . 107.07 111.769 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -71.29 -30.77 66.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.331 -0.395 . . . . 116.57 111.767 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.398 -0.365 . . . . 95.94 110.988 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -66.57 -25.31 66.58 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.055 0.391 . . . . 112.12 112.055 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.22 -58.33 7.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 107.458 -1.312 . . . . 88.95 107.458 171.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 1.6 m -56.65 -29.94 62.81 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.878 -1.056 . . . . 86.32 109.387 -179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' SER . . . . . 0.516 ' O ' ' OG1' ' B' ' 94' ' ' THR . 5.8 t -66.25 -51.21 59.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.485 0.659 . . . . 97.06 111.466 177.557 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.09 93.45 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.429 -0.805 . . . . 78.58 109.95 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.48 -40.63 85.28 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.366 0.506 . . . . 73.61 112.366 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -70.56 -41.36 72.56 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.288 0.847 . . . . 85.3 113.288 175.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' THR . . . . . 0.516 ' OG1' ' O ' ' B' ' 90' ' ' SER . 2.7 m -55.05 -52.05 64.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.752 0.787 . . . . 79.48 109.15 174.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' MET . . . . . 0.748 ' SD ' ' O ' ' B' ' 320' ' ' HOH . 0.1 OUTLIER -66.33 -26.68 67.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.11 -1.405 . . . . 101.26 112.544 -174.237 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 5.8 tp -68.96 -43.23 75.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.56 0.578 . . . . 78.71 112.56 -177.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' B' ' 101' ' ' ARG . 48.6 m-85 -73.31 -23.19 60.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.498 0.666 . . . . 83.77 111.377 179.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -67.5 -46.15 73.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.655 -0.702 . . . . 88.88 109.706 168.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mmt -55.84 -41.35 74.17 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.428 -0.582 . . . . 112.74 109.428 170.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 46.8 mt -67.19 -53.24 32.2 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.658 -0.701 . . . . 84.76 112.673 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' B' ' 97' ' ' PHE . 29.2 mmt-85 -50.7 -49.72 56.83 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.949 0.88 . . . . 101.51 112.381 177.742 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -64.22 -32.58 74.21 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.788 -1.096 . . . . 84.49 110.208 -175.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.66 -27.09 66.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.209 -0.663 . . . . 82.69 109.209 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.6 t70 29.89 84.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.927 1.691 . . . . 99.99 113.836 -173.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -129.41 134.2 47.73 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.15 -0.932 . . . . 83.12 109.149 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -59.14 -41.24 87.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.314 0.857 . . . . 97.87 113.314 -169.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.06 87.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.899 0.703 . . . . 80.73 112.899 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 61.0 mt -68.27 -53.33 25.24 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.926 -0.768 . . . . 79.75 108.926 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -52.84 -37.17 59.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.384 0.883 . . . . 86.27 113.384 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' B' ' 155' ' ' ALA . 22.1 t-20 -49.86 -61.51 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 82.31 110.17 167.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ILE . . . . . . . . . . . . . 4.2 pt -72.91 -26.44 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 112.838 0.681 . . . . 72.24 112.838 -171.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.79 -48.35 51.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 119.689 -0.805 . . . . 74.05 111.152 173.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -64.01 -47.11 81.58 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 109.123 -0.695 . . . . 84.07 109.123 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -52.84 -53.1 53.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.25 0.969 . . . . 71.48 110.085 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.84 24.4 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.314 0.487 . . . . 71.84 112.314 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -68.82 -31.19 69.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.826 0.676 . . . . 87.85 112.826 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -78.42 -8.5 58.56 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.889 1.07 . . . . 85.73 113.889 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.64 1.96 52.96 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 109.874 -1.29 . . . . 69.63 109.874 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' CYS . . . . . 0.896 ' SG ' ' O ' ' B' ' 321' ' ' HOH . 36.4 t -88.62 93.99 9.74 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 113.605 0.965 . . . . 79.75 113.605 173.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.13 157.03 59.28 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 113.252 0.834 . . . . 73.36 113.252 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.09 144.25 16.58 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 118.523 -0.518 . . . . 74.32 110.864 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.14 -26.9 21.06 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.248 -0.981 . . . . 78.01 110.067 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -130.78 -173.08 2.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.984 0.421 . . . . 80.41 111.787 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 16.8 mt -65.86 132.95 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 106.516 -1.661 . . . . 81.16 106.516 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' ILE . . . . . . . . . . . . . 29.8 mt -57.48 126.51 75.27 Favored Pre-proline 0 CA--C 1.506 -0.715 0 N-CA-C 105.323 -2.103 . . . . 78.81 105.323 168.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -95.95 138.49 0.73 Allowed 'Trans proline' 0 C--N 1.331 -0.393 0 O-C-N 122.296 0.629 . . . . 92.38 112.441 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.22 -32.89 61.29 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.46 1.104 . . . . 99.81 112.272 -172.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 73.4 p -71.05 -139.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.607 -1.179 . . . . 107.09 112.803 -169.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 61.6 p -134.41 -31.13 1.1 Allowed 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 119.554 -0.858 . . . . 110.11 112.393 -168.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' ALA . . . . . 0.563 ' N ' ' O ' ' B' ' 306' ' ' HOH . . . -122.74 0.99 9.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.12 0.486 . . . . 102.4 110.584 -177.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.99 139.85 46.95 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 107.765 -1.198 . . . . 97.38 107.765 166.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . 0.444 ' NZ ' ' SD ' ' B' ' 134' ' ' MET . 12.7 pttp -90.09 147.53 23.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.679 1.228 . . . . 87.11 113.799 -169.515 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 tt -112.98 147.17 37.7 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 113.568 -1.651 . . . . 81.1 108.846 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' MET . . . . . 0.444 ' SD ' ' NZ ' ' B' ' 132' ' ' LYS . 10.0 mtt -135.01 135.01 41.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.603 -0.888 . . . . 81.19 108.603 174.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -143.9 156.69 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 112.221 0.452 . . . . 72.17 112.221 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 4.6 p -99.46 134.56 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 108.604 -0.887 . . . . 68.47 108.604 177.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.43 113.13 45.76 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 106.946 -1.501 . . . . 74.16 106.946 173.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -88.71 -25.34 0.69 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.095 2.53 . . . . 68.08 113.623 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -121.11 151.26 40.08 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.324 -1.362 . . . . 78.23 107.324 -165.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.02 -30.0 68.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.984 0.802 . . . . 109.3 109.64 162.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' ASN . . . . . 0.425 ' OD1' ' N ' ' B' ' 141' ' ' ASN . 0.8 OUTLIER -55.87 -58.03 9.59 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.75 -0.594 . . . . 92.82 110.336 173.332 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' THR . . . . . . . . . . . . . 3.9 m -52.18 -48.7 64.86 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 114.309 -1.314 . . . . 81.9 109.231 -179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.9 -50.11 61.69 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.481 -0.888 . . . . 104.34 111.818 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -61.87 -43.57 98.59 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.391 -0.524 . . . . 95.37 111.398 -178.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -66.05 -25.86 67.24 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.68 0.622 . . . . 99.38 112.68 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 28.0 p -116.15 -29.59 6.23 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.828 1.048 . . . . 86.87 113.828 -169.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' CYS . . . . . . . . . . . . . 78.0 m -109.45 156.86 19.56 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.99 0.9 . . . . 93.21 113.271 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -170.45 98.43 0.25 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.49 -1.3 . . . . 96.03 107.49 -172.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' GLY . . . . . . . . . . . . . . . 66.4 -128.15 30.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 105.983 -2.847 . . . . 89.85 105.983 -170.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' THR . . . . . . . . . . . . . 13.8 p -98.65 -1.33 41.06 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 115.015 1.487 . . . . 89.52 115.015 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 31.0 p -96.26 144.48 26.4 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 119.338 -0.945 . . . . 91.99 109.699 -175.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -123.92 111.87 16.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.481 -0.782 . . . . 82.9 109.205 -178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' THR . . . . . . . . . . . . . 64.2 p -87.16 113.75 23.17 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.849 0.833 . . . . 87.32 110.224 -176.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -151.46 134.66 15.96 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.676 -1.147 . . . . 84.7 112.341 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' B' ' 110' ' ' ASN . . . 58.81 41.92 20.76 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.295 -0.866 . . . . 85.31 111.198 172.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' SER . . . . . 0.721 ' N ' ' O ' ' B' ' 304' ' ' HOH . 19.5 m 53.2 38.3 27.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.381 -0.827 . . . . 96.9 111.438 173.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -155.32 169.64 23.74 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.747 1.219 . . . . 95.23 108.471 167.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' LEU . . . . . . . . . . . . . 23.8 mt -104.26 139.24 39.54 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 114.157 1.169 . . . . 95.93 114.157 -171.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -129.36 147.34 51.18 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.681 -0.691 . . . . 92.43 112.559 -173.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -105.37 101.77 11.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.768 -0.651 . . . . 103.45 112.191 -175.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 53.1 mt -50.21 106.04 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.865 -0.607 . . . . 89.15 110.206 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.57 -52.3 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.171 -0.922 . . . . 93.62 113.106 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.6 153.81 30.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 87.21 110.357 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' VAL . . . . . . . . . . . . . 8.5 t -130.61 139.43 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.435 -1.32 . . . . 73.19 107.435 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' VAL . . . . . . . . . . . . . 2.8 m -130.83 151.24 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 120.795 0.331 . . . . 73.6 110.892 177.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' ASP . . . . . . . . . . . . . 46.0 p-10 -87.02 178.99 6.76 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.683 -0.407 . . . . 80.54 110.532 -176.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.13 -26.65 39.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.058 -0.657 . . . . 81.7 111.854 -178.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -85.85 15.01 5.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 122.142 0.177 . . . . 93.27 111.347 -172.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.6 m 63.52 13.9 7.59 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.637 0.977 . . . . 89.23 113.637 -171.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -99.87 138.23 37.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.782 0.66 . . . . 92.74 112.782 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 171' ' ' ILE . . . . . . . . . . . . . 44.4 mm -52.84 143.56 4.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 124.397 1.079 . . . . 81.78 112.569 -177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 172' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.63 131.97 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.957 -1.868 . . . . 74.77 105.957 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 173' ' ' GLN . . . . . 0.72 ' OE1' ' O ' ' B' ' 301' ' ' HOH . 36.2 mm-40 -87.51 136.64 32.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.122 -0.696 . . . . 84.05 109.122 176.769 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 174' ' ' LEU . . . . . . . . . . . . . 2.8 mp -38.15 -26.51 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.104 1.15 . . . . 84.26 114.104 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 20.0 p -93.04 -3.53 54.14 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.417 -0.356 . . . . 85.77 111.847 -170.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.45 -39.03 11.64 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.623 -0.431 . . . . 84.49 110.277 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 177' ' ' ILE . . . . . . . . . . . . . 2.7 mt -59.3 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.018 -1.105 . . . . 87.21 108.018 163.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 178' ' ' SER . . . . . 0.612 ' OG ' ' O ' ' B' ' 179' ' ' MET . 4.9 t -138.71 160.56 39.35 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.826 -0.624 . . . . 92.73 111.201 -161.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 179' ' ' MET . . . . . 0.612 ' O ' ' OG ' ' B' ' 178' ' ' SER . 4.9 mmt -63.79 142.91 58.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 105.304 -2.11 . . . . 107.51 105.304 156.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 180' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 81.52 -45.55 0.2 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.813 1.645 . . . . 103.92 114.357 -172.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 181' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -94.27 -23.86 17.68 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 115.484 1.661 . . . . 93.3 115.484 -170.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 182' ' ' SER . . . . . . . . . . . . . 7.6 p -40.13 -33.91 0.38 Allowed Pre-proline 0 CA--C 1.552 1.046 0 N-CA-C 117.185 2.291 . . . . 87.47 117.185 178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 183' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -80.96 0.12 10.22 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.104 -2.797 . . . . 85.09 115.308 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 184' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.54 -8.2 20.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.142 0.496 . . . . 86.65 111.711 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 185' ' ' LEU . . . . . . . . . . . . . 36.4 mt -76.53 163.04 27.29 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.799 0.84 . . . . 78.83 112.783 178.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 186' ' ' ALA . . . . . . . . . . . . . . . -101.03 75.37 1.66 Allowed 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.145 0.498 . . . . 83.57 111.505 -177.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 187' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -61.03 146.49 87.72 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.485 -0.779 . . . . 73.47 110.162 174.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -83.11 158.74 75.06 Favored 'Cis proline' 0 N--CA 1.459 -0.535 0 CA-C-O 118.276 -0.802 . . . . 71.12 110.984 0.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 189' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.92 166.7 10.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.611 1.195 . . . . 67.68 110.619 177.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 79.0 mt -128.62 116.53 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 121.63 0.728 . . . . 69.61 112.156 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 191' ' ' VAL . . . . . . . . . . . . . 90.3 t -91.78 120.87 41.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 75.47 109.507 177.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 192' ' ' THR . . . . . 0.695 ' OG1' ' O ' ' B' ' 302' ' ' HOH . 11.1 m -94.93 107.85 19.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.138 -0.69 . . . . 78.35 109.138 160.377 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 193' ' ' ALA . . . . . . . . . . . . . . . -114.56 169.69 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 79.16 111.502 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 194' ' ' LEU . . . . . . . . . . . . . 8.0 mt -123.93 154.89 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.401 1.08 . . . . 96.76 109.041 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 195' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -85.87 147.51 26.24 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 119.95 -0.7 . . . . 98.34 110.516 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.493 0 N-CA-C 113.166 0.802 . . . . 113.73 113.166 -172.731 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 2' ' ' LYS . 33.1 p . . . . . 0 C--O 1.239 0.539 0 CA-C-O 121.651 0.738 . . . . 115.06 111.394 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' N ' ' OG ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -94.15 -11.96 29.37 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 105.609 -1.997 . . . . 111.9 105.609 173.455 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.15 -26.78 4.9 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.225 -0.898 . . . . 125.0 110.167 165.549 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.31 77.45 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.075 -0.966 . . . . 93.58 110.457 172.487 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 2' ' ' LYS . 39.3 m-20 -88.37 -38.42 15.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.641 -0.708 . . . . 97.57 111.589 -168.136 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.86 -33.74 59.36 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-O 121.377 0.608 . . . . 89.06 109.495 175.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -72.42 -34.83 68.11 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.108 -0.497 . . . . 84.4 111.289 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.71 -51.09 29.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 107.901 -1.148 . . . . 111.8 107.901 178.81 168.605 0.0 0.0 0.0 0.0 0.0 0.0 168.605 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 m -51.26 -38.51 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 76.4 111.708 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 p -68.46 -41.4 80.26 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-O 121.207 0.527 . . . . 69.92 110.758 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.69 -38.05 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.341 -0.391 . . . . 68.21 110.727 172.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.6 t -79.26 -35.45 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.479 0.657 . . . . 63.84 109.924 -174.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 tp -60.59 -45.29 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 66.07 111.181 175.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.05 -48.72 80.55 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.069 -1.086 . . . . 67.1 108.069 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -58.8 -31.67 68.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.755 1.02 . . . . 64.48 113.755 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.43 -48.0 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.611 -0.435 . . . . 66.45 110.245 176.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.95 -38.47 72.98 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.194 -0.669 . . . . 70.2 109.194 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . 0.645 ' NE2' ' OE2' ' A' ' 23' ' ' GLU . 5.6 tm0? -52.34 -59.99 3.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.971 -1.122 . . . . 83.67 107.971 177.101 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.82 -5.58 21.77 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 114.558 1.318 . . . . 97.38 114.558 -173.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mt -105.17 14.78 28.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.701 -1.222 . . . . 74.53 107.701 172.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . 0.549 ' NH1' ' O ' ' A' ' 102' ' ' HOH . 54.7 mtt85 68.12 46.42 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.53 1.307 . . . . 88.5 114.53 165.312 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -80.93 -25.54 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.409 0.522 . . . . 94.95 112.409 -176.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . 0.645 ' OE2' ' NE2' ' A' ' 18' ' ' GLN . 23.5 mt-10 -61.78 -21.0 64.2 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.462 0.574 . . . . 85.34 111.824 -177.465 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -76.59 12.32 1.32 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.031 0.382 . . . . 107.82 112.031 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 t -128.77 75.56 1.65 Allowed 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.395 -0.965 . . . . 99.95 108.395 164.768 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -48.97 4.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 116.535 2.05 . . . . 88.68 116.535 -164.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.1 mmtt -122.87 -34.75 3.14 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 113.771 1.026 . . . . 94.41 113.771 -175.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.56 -41.33 97.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 108.08 -1.081 . . . . 80.78 108.08 166.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -70.26 -43.13 71.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 74.66 110.435 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.71 -52.24 14.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.702 0.763 . . . . 70.98 112.245 171.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.3 -47.1 87.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.325 -0.852 . . . . 86.43 111.35 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -58.56 -47.06 85.5 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 116.122 -0.49 . . . . 68.1 112.312 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.17 -49.16 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 115.041 -0.981 . . . . 75.94 109.531 -175.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.687 -1.142 . . . . 100.62 109.58 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.37 -32.24 71.11 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 118.895 -1.122 . . . . 73.86 109.279 176.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -76.23 -40.15 52.78 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.422 0.897 . . . . 77.54 113.422 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -69.43 -30.58 68.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.767 -0.773 . . . . 90.6 109.514 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -64.16 -44.08 93.19 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 109.444 -0.576 . . . . 85.5 109.444 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -83.0 -26.82 7.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 123.904 0.752 . . . . 74.4 112.652 -173.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.67 -32.31 73.81 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 116.383 -2.127 . . . . 80.61 105.928 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.4 mt -76.42 -25.02 54.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.021 1.119 . . . . 91.36 114.021 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.51 141.59 0.98 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.466 0.913 . . . . 92.41 113.466 -174.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' O ' ' NZ ' ' A' ' 43' ' ' LYS . 4.8 tptp -113.6 -5.76 13.4 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.232 -0.44 . . . . 98.4 111.131 -176.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -140.49 147.03 38.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.099 0.476 . . . . 101.04 111.522 163.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.2 p -53.82 -20.43 5.76 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.498 1.296 . . . . 93.99 114.498 -173.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.4 m -74.01 -65.43 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.498 -0.481 . . . . 88.69 111.451 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -37.89 -55.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.143 0.977 . . . . 100.86 111.067 170.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.7 2.26 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.065 0.946 . . . . 89.2 113.046 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.32 -29.34 68.8 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.491 -0.484 . . . . 79.37 110.505 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -75.83 -40.67 54.44 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 120.774 -0.371 . . . . 114.39 111.079 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -73.43 -23.48 60.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.584 -0.846 . . . . 86.63 109.381 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 tpt -74.09 -29.23 61.76 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.465 -0.334 . . . . 74.07 111.804 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.85 -35.27 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 118.807 -1.157 . . . . 73.57 108.065 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . 0.517 ' O ' ' OG ' ' A' ' 57' ' ' SER . 8.0 m -68.88 -45.78 70.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.699 -0.4 . . . . 74.1 110.739 -179.841 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.2 tp -55.66 -49.51 72.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.423 0.527 . . . . 70.13 112.423 176.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.38 -36.83 79.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.08 0.4 . . . . 70.0 111.733 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . 0.517 ' OG ' ' O ' ' A' ' 54' ' ' SER . 91.3 p -53.71 -32.54 52.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 119.14 -0.457 . . . . 68.48 111.679 -179.251 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.97 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.326 0.584 . . . . 69.98 111.188 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.8 tp -52.22 -67.54 0.24 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.185 -0.916 . . . . 74.47 108.71 170.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -55.28 -14.94 2.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.22 1.192 . . . . 70.47 114.22 -176.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.1 p -91.23 -6.67 53.0 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.466 -0.894 . . . . 82.31 111.687 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MET . . . . . 0.733 ' O ' ' O ' ' A' ' 101' ' ' HOH . 5.1 mtp -88.8 122.95 32.73 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.946 0.779 . . . . 90.62 111.755 -179.028 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -71.92 -76.6 0.11 Allowed 'General case' 0 C--O 1.234 0.275 0 N-CA-C 114.259 1.207 . . . . 98.75 114.259 -164.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.01 -31.85 73.81 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 119.515 -1.326 . . . . 98.33 112.136 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.65 -81.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.743 1.386 . . . . 99.98 114.743 -165.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.5 126.6 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 119.862 -0.735 . . . . 103.01 110.593 177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -98.24 106.17 18.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.501 -1.296 . . . . 109.37 107.501 163.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.1 mm -60.55 -32.55 51.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 115.242 -0.89 . . . . 104.26 110.939 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -68.74 -43.82 75.06 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.549 -0.908 . . . . 104.64 108.549 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -66.47 -28.81 68.88 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.613 0.721 . . . . 123.66 111.586 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 1.5 mp -69.18 -51.65 35.89 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.981 -0.748 . . . . 100.11 108.981 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 87.8 m -64.5 -23.42 67.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.221 -0.9 . . . . 101.56 110.654 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -54.64 -56.84 14.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.617 0.599 . . . . 133.57 112.617 170.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.58 -24.14 61.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.542 -0.754 . . . . 135.26 110.249 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 95.0 mmm -56.5 -39.26 72.99 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.369 0.418 . . . . 133.57 110.574 176.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . 0.649 ' O ' ' NH1' ' A' ' 79' ' ' ARG . 43.9 mt -94.49 -23.05 17.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.14 0.793 . . . . 111.73 113.14 -173.575 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -74.41 -28.37 61.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.086 -0.646 . . . . 115.09 111.816 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -114.84 61.12 0.68 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.354 -0.385 . . . . 120.73 111.135 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . 0.649 ' NH1' ' O ' ' A' ' 76' ' ' LEU . 29.2 mtm-85 -66.93 -31.01 71.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.985 1.105 . . . . 115.59 113.985 -179.071 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.98 -83.03 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 N-CA-C 106.708 -1.59 . . . . 117.17 106.708 162.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 123.938 0.895 . . . . 116.39 110.164 163.729 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . 0.72 ' O ' ' OE1' ' B' ' 173' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . 0.695 ' O ' ' OG1' ' B' ' 192' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . 0.721 ' O ' ' N ' ' B' ' 156' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . 0.563 ' O ' ' N ' ' B' ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 320' ' ' HOH . . . . . 0.748 ' O ' ' SD ' ' B' ' 95' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 321' ' ' HOH . . . . . 0.896 ' O ' ' SG ' ' B' ' 119' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.733 ' O ' ' O ' ' A' ' 62' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.549 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 . . . . . 0 C--O 1.237 0.431 0 N-CA-C 112.683 0.623 . . . . 115.0 112.683 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . 0.575 ' N ' ' OD2' ' B' ' 83' ' ' ASP . 2.1 p-10 -55.5 -47.57 76.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.046 -0.525 . . . . 123.65 112.108 -177.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -70.27 -38.18 75.03 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 111.769 0.285 . . . . 107.07 111.769 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ARG . . . . . 0.431 ' NH2' HG21 ' B' ' 88' ' ' VAL . 1.3 mmp_? -71.29 -30.77 66.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.331 -0.395 . . . . 116.57 111.767 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.398 -0.365 . . . . 95.94 110.988 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' LYS . . . . . 0.487 ' HA ' ' HB3' ' B' ' 90' ' ' SER . 11.5 mtpt -66.57 -25.31 66.58 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.055 0.391 . . . . 112.12 112.055 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' VAL . . . . . 0.431 HG21 ' NH2' ' B' ' 85' ' ' ARG . 41.8 t -63.22 -58.33 7.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 107.458 -1.312 . . . . 88.95 107.458 171.786 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 89' ' ' THR . . . . . 0.597 HG22 ' OE1' ' B' ' 93' ' ' GLN . 1.6 m -56.65 -29.94 62.81 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.878 -1.056 . . . . 86.32 109.387 -179.532 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' B' ' 87' ' ' LYS . 5.8 t -66.25 -51.21 59.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.485 0.659 . . . . 97.06 111.466 177.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.09 93.45 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.429 -0.805 . . . . 78.58 109.95 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.48 -40.63 85.28 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.366 0.506 . . . . 73.61 112.366 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLN . . . . . 0.597 ' OE1' HG22 ' B' ' 89' ' ' THR . 9.1 mt-30 -70.56 -41.36 72.56 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.288 0.847 . . . . 85.3 113.288 175.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 90' ' ' SER . 2.7 m -55.05 -52.05 64.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.752 0.787 . . . . 79.48 109.15 174.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 95' ' ' MET . . . . . 0.748 ' SD ' ' O ' ' B' ' 320' ' ' HOH . 0.1 OUTLIER -66.33 -26.68 67.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.11 -1.405 . . . . 101.26 112.544 -174.237 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . 0.484 HD22 HG21 ' A' ' 16' ' ' VAL . 5.8 tp -68.96 -43.23 75.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.56 0.578 . . . . 78.71 112.56 -177.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 97' ' ' PHE . . . . . 0.504 ' HA ' ' HB2' ' B' ' 100' ' ' LEU . 48.6 m-85 -73.31 -23.19 60.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.498 0.666 . . . . 83.77 111.377 179.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -67.5 -46.15 73.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.655 -0.702 . . . . 88.88 109.706 168.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mmt -55.84 -41.35 74.17 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.428 -0.582 . . . . 112.74 109.428 170.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 97' ' ' PHE . 46.8 mt -67.19 -53.24 32.2 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.658 -0.701 . . . . 84.76 112.673 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 29.2 mmt-85 -50.7 -49.72 56.83 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.949 0.88 . . . . 101.51 112.381 177.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -64.22 -32.58 74.21 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.788 -1.096 . . . . 84.49 110.208 -175.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.66 -27.09 66.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.209 -0.663 . . . . 82.69 109.209 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.6 t70 29.89 84.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.927 1.691 . . . . 99.99 113.836 -173.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -129.41 134.2 47.73 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.15 -0.932 . . . . 83.12 109.149 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -59.14 -41.24 87.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.314 0.857 . . . . 97.87 113.314 -169.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.06 87.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.899 0.703 . . . . 80.73 112.899 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' LEU . . . . . 0.497 ' O ' HG12 ' B' ' 111' ' ' ILE . 61.0 mt -68.27 -53.33 25.24 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.926 -0.768 . . . . 79.75 108.926 178.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -52.84 -37.17 59.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.384 0.883 . . . . 86.27 113.384 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -49.86 -61.51 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 82.31 110.17 167.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ILE . . . . . 0.614 HD13 HG23 ' A' ' 53' ' ' VAL . 4.2 pt -72.91 -26.44 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 112.838 0.681 . . . . 72.24 112.838 -171.95 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.79 -48.35 51.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 119.689 -0.805 . . . . 74.05 111.152 173.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -64.01 -47.11 81.58 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 109.123 -0.695 . . . . 84.07 109.123 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -52.84 -53.1 53.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.25 0.969 . . . . 71.48 110.085 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.84 24.4 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.314 0.487 . . . . 71.84 112.314 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -68.82 -31.19 69.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.826 0.676 . . . . 87.85 112.826 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -78.42 -8.5 58.56 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.889 1.07 . . . . 85.73 113.889 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.64 1.96 52.96 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 109.874 -1.29 . . . . 69.63 109.874 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' CYS . . . . . 0.896 ' SG ' ' O ' ' B' ' 321' ' ' HOH . 36.4 t -88.62 93.99 9.74 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 113.605 0.965 . . . . 79.75 113.605 173.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.13 157.03 59.28 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 113.252 0.834 . . . . 73.36 113.252 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.09 144.25 16.58 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 118.523 -0.518 . . . . 74.32 110.864 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.14 -26.9 21.06 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.248 -0.981 . . . . 78.01 110.067 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -130.78 -173.08 2.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.984 0.421 . . . . 80.41 111.787 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 16.8 mt -65.86 132.95 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 106.516 -1.661 . . . . 81.16 106.516 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' ILE . . . . . 0.428 HG13 ' CB ' ' A' ' 57' ' ' SER . 29.8 mt -57.48 126.51 75.27 Favored Pre-proline 0 CA--C 1.506 -0.715 0 N-CA-C 105.323 -2.103 . . . . 78.81 105.323 168.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 126' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -95.95 138.49 0.73 Allowed 'Trans proline' 0 C--N 1.331 -0.393 0 O-C-N 122.296 0.629 . . . . 92.38 112.441 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.22 -32.89 61.29 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.46 1.104 . . . . 99.81 112.272 -172.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 73.4 p -71.05 -139.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.607 -1.179 . . . . 107.09 112.803 -169.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 61.6 p -134.41 -31.13 1.1 Allowed 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 119.554 -0.858 . . . . 110.11 112.393 -168.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.74 0.99 9.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.12 0.486 . . . . 102.4 110.584 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.99 139.85 46.95 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 107.765 -1.198 . . . . 97.38 107.765 166.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . 0.418 ' NZ ' ' SD ' ' B' ' 134' ' ' MET . 12.7 pttp -90.09 147.53 23.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.679 1.228 . . . . 87.11 113.799 -169.515 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 tt -112.98 147.17 37.7 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 113.568 -1.651 . . . . 81.1 108.846 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' MET . . . . . 0.418 ' SD ' ' NZ ' ' B' ' 132' ' ' LYS . 10.0 mtt -135.01 135.01 41.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.603 -0.888 . . . . 81.19 108.603 174.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -143.9 156.69 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 112.221 0.452 . . . . 72.17 112.221 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 4.6 p -99.46 134.56 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 108.604 -0.887 . . . . 68.47 108.604 177.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ILE . . . . . 0.449 HD13 HG23 ' B' ' 191' ' ' VAL . 2.2 mp -114.43 113.13 45.76 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 106.946 -1.501 . . . . 74.16 106.946 173.023 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -88.71 -25.34 0.69 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.095 2.53 . . . . 68.08 113.623 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ASP . . . . . 0.507 ' HB2' ' OG1' ' B' ' 142' ' ' THR . 10.5 m-20 -121.11 151.26 40.08 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.324 -1.362 . . . . 78.23 107.324 -165.03 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.02 -30.0 68.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.984 0.802 . . . . 109.3 109.64 162.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -58.03 9.59 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.75 -0.594 . . . . 92.82 110.336 173.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 142' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' B' ' 139' ' ' ASP . 3.9 m -52.18 -48.7 64.86 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 114.309 -1.314 . . . . 81.9 109.231 -179.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.9 -50.11 61.69 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.481 -0.888 . . . . 104.34 111.818 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' B' ' 144' ' ' LYS . 6.7 mmtt -61.87 -43.57 98.59 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.391 -0.524 . . . . 95.37 111.398 -178.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -66.05 -25.86 67.24 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.68 0.622 . . . . 99.38 112.68 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 28.0 p -116.15 -29.59 6.23 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.828 1.048 . . . . 86.87 113.828 -169.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' CYS . . . . . . . . . . . . . 78.0 m -109.45 156.86 19.56 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.99 0.9 . . . . 93.21 113.271 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -170.45 98.43 0.25 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.49 -1.3 . . . . 96.03 107.49 -172.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' GLY . . . . . . . . . . . . . . . 66.4 -128.15 30.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 105.983 -2.847 . . . . 89.85 105.983 -170.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' THR . . . . . . . . . . . . . 13.8 p -98.65 -1.33 41.06 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 115.015 1.487 . . . . 89.52 115.015 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 31.0 p -96.26 144.48 26.4 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 119.338 -0.945 . . . . 91.99 109.699 -175.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' B' ' 159' ' ' TRP . 14.6 t80 -123.92 111.87 16.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.481 -0.782 . . . . 82.9 109.205 -178.646 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 153' ' ' THR . . . . . . . . . . . . . 64.2 p -87.16 113.75 23.17 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.849 0.833 . . . . 87.32 110.224 -176.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -151.46 134.66 15.96 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.676 -1.147 . . . . 84.7 112.341 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . 58.81 41.92 20.76 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.295 -0.866 . . . . 85.31 111.198 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 38.3 27.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.381 -0.827 . . . . 96.9 111.438 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -155.32 169.64 23.74 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.747 1.219 . . . . 95.23 108.471 167.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 158' ' ' LEU . 23.8 mt -104.26 139.24 39.54 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 114.157 1.169 . . . . 95.93 114.157 -171.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 159' ' ' TRP . . . . . 0.411 ' HB2' ' HB3' ' B' ' 152' ' ' PHE . 21.3 m95 -129.36 147.34 51.18 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.681 -0.691 . . . . 92.43 112.559 -173.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -105.37 101.77 11.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.768 -0.651 . . . . 103.45 112.191 -175.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 53.1 mt -50.21 106.04 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.865 -0.607 . . . . 89.15 110.206 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.57 -52.3 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.171 -0.922 . . . . 93.62 113.106 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.6 153.81 30.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 87.21 110.357 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' VAL . . . . . 0.408 HG22 HG22 ' B' ' 191' ' ' VAL . 8.5 t -130.61 139.43 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.435 -1.32 . . . . 73.19 107.435 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 165' ' ' VAL . . . . . 0.543 HG12 HD13 ' B' ' 171' ' ' ILE . 2.8 m -130.83 151.24 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 120.795 0.331 . . . . 73.6 110.892 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 166' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' B' ' 186' ' ' ALA . 46.0 p-10 -87.02 178.99 6.76 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.683 -0.407 . . . . 80.54 110.532 -176.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.13 -26.65 39.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.058 -0.657 . . . . 81.7 111.854 -178.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -85.85 15.01 5.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 122.142 0.177 . . . . 93.27 111.347 -172.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.6 m 63.52 13.9 7.59 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.637 0.977 . . . . 89.23 113.637 -171.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -99.87 138.23 37.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.782 0.66 . . . . 92.74 112.782 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 171' ' ' ILE . . . . . 0.543 HD13 HG12 ' B' ' 165' ' ' VAL . 44.4 mm -52.84 143.56 4.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 124.397 1.079 . . . . 81.78 112.569 -177.052 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 172' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.63 131.97 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.957 -1.868 . . . . 74.77 105.957 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 173' ' ' GLN . . . . . 0.72 ' OE1' ' O ' ' B' ' 301' ' ' HOH . 36.2 mm-40 -87.51 136.64 32.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.122 -0.696 . . . . 84.05 109.122 176.769 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 174' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 177' ' ' ILE . 2.8 mp -38.15 -26.51 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.104 1.15 . . . . 84.26 114.104 178.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 20.0 p -93.04 -3.53 54.14 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.417 -0.356 . . . . 85.77 111.847 -170.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.45 -39.03 11.64 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.623 -0.431 . . . . 84.49 110.277 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 177' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 174' ' ' LEU . 2.7 mt -59.3 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.018 -1.105 . . . . 87.21 108.018 163.121 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 178' ' ' SER . . . . . 0.561 ' OG ' ' O ' ' B' ' 179' ' ' MET . 4.9 t -138.71 160.56 39.35 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.826 -0.624 . . . . 92.73 111.201 -161.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 179' ' ' MET . . . . . 0.561 ' O ' ' OG ' ' B' ' 178' ' ' SER . 4.9 mmt -63.79 142.91 58.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 105.304 -2.11 . . . . 107.51 105.304 156.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 180' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' B' ' 179' ' ' MET . 2.5 m-20 81.52 -45.55 0.2 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.813 1.645 . . . . 103.92 114.357 -172.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 181' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -94.27 -23.86 17.68 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 115.484 1.661 . . . . 93.3 115.484 -170.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 182' ' ' SER . . . . . 0.54 ' HA ' HD12 ' B' ' 185' ' ' LEU . 7.6 p -40.13 -33.91 0.38 Allowed Pre-proline 0 CA--C 1.552 1.046 0 N-CA-C 117.185 2.291 . . . . 87.47 117.185 178.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 183' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -80.96 0.12 10.22 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.104 -2.797 . . . . 85.09 115.308 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 184' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.54 -8.2 20.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.142 0.496 . . . . 86.65 111.711 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 185' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' B' ' 182' ' ' SER . 36.4 mt -76.53 163.04 27.29 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.799 0.84 . . . . 78.83 112.783 178.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 186' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' B' ' 166' ' ' ASP . . . -101.03 75.37 1.66 Allowed 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.145 0.498 . . . . 83.57 111.505 -177.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 187' ' ' TRP . . . . . 0.44 ' CE3' ' HG ' ' B' ' 189' ' ' LEU . 85.3 m95 -61.03 146.49 87.72 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.485 -0.779 . . . . 73.47 110.162 174.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -83.11 158.74 75.06 Favored 'Cis proline' 0 N--CA 1.459 -0.535 0 CA-C-O 118.276 -0.802 . . . . 71.12 110.984 0.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 189' ' ' LEU . . . . . 0.44 ' HG ' ' CE3' ' B' ' 187' ' ' TRP . 14.2 mt -103.92 166.7 10.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.611 1.195 . . . . 67.68 110.619 177.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 79.0 mt -128.62 116.53 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 121.63 0.728 . . . . 69.61 112.156 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 191' ' ' VAL . . . . . 0.449 HG23 HD13 ' B' ' 137' ' ' ILE . 90.3 t -91.78 120.87 41.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 75.47 109.507 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 192' ' ' THR . . . . . 0.695 ' OG1' ' O ' ' B' ' 302' ' ' HOH . 11.1 m -94.93 107.85 19.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.138 -0.69 . . . . 78.35 109.138 160.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 193' ' ' ALA . . . . . . . . . . . . . . . -114.56 169.69 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 79.16 111.502 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 194' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' B' ' 159' ' ' TRP . 8.0 mt -123.93 154.89 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.401 1.08 . . . . 96.76 109.041 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 195' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -85.87 147.51 26.24 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 119.95 -0.7 . . . . 98.34 110.516 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.493 0 N-CA-C 113.166 0.802 . . . . 113.73 113.166 -172.731 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 2' ' ' LYS . 33.1 p . . . . . 0 C--O 1.239 0.539 0 CA-C-O 121.651 0.738 . . . . 115.06 111.394 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' N ' ' OG ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -94.15 -11.96 29.37 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 105.609 -1.997 . . . . 111.9 105.609 173.455 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' MET . . . . . 0.574 ' HB2' HG22 ' A' ' 45' ' ' THR . 0.3 OUTLIER -50.15 -26.78 4.9 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.225 -0.898 . . . . 125.0 110.167 165.549 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.31 77.45 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.075 -0.966 . . . . 93.58 110.457 172.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . 0.544 ' HB2' ' HG2' ' A' ' 2' ' ' LYS . 39.3 m-20 -88.37 -38.42 15.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.641 -0.708 . . . . 97.57 111.589 -168.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.86 -33.74 59.36 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-O 121.377 0.608 . . . . 89.06 109.495 175.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -72.42 -34.83 68.11 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.108 -0.497 . . . . 84.4 111.289 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.71 -51.09 29.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 107.901 -1.148 . . . . 111.8 107.901 178.81 168.605 0.0 0.0 0.0 0.0 0.0 0.0 168.605 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 m -51.26 -38.51 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 76.4 111.708 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 p -68.46 -41.4 80.26 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-O 121.207 0.527 . . . . 69.92 110.758 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.69 -38.05 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.341 -0.391 . . . . 68.21 110.727 172.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.6 t -79.26 -35.45 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.479 0.657 . . . . 63.84 109.924 -174.359 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 55' ' ' LEU . 29.9 tp -60.59 -45.29 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 66.07 111.181 175.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.05 -48.72 80.55 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.069 -1.086 . . . . 67.1 108.069 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -58.8 -31.67 68.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.755 1.02 . . . . 64.48 113.755 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG21 HD22 ' B' ' 96' ' ' LEU . 95.5 t -69.43 -48.0 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.611 -0.435 . . . . 66.45 110.245 176.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.95 -38.47 72.98 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.194 -0.669 . . . . 70.2 109.194 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . 0.645 ' NE2' ' OE2' ' A' ' 23' ' ' GLU . 5.6 tm0? -52.34 -59.99 3.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.971 -1.122 . . . . 83.67 107.971 177.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.82 -5.58 21.77 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 114.558 1.318 . . . . 97.38 114.558 -173.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mt -105.17 14.78 28.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.701 -1.222 . . . . 74.53 107.701 172.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' NH1' ' O ' ' A' ' 102' ' ' HOH . 54.7 mtt85 68.12 46.42 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.53 1.307 . . . . 88.5 114.53 165.312 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -80.93 -25.54 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.409 0.522 . . . . 94.95 112.409 -176.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . 0.645 ' OE2' ' NE2' ' A' ' 18' ' ' GLN . 23.5 mt-10 -61.78 -21.0 64.2 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.462 0.574 . . . . 85.34 111.824 -177.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -76.59 12.32 1.32 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.031 0.382 . . . . 107.82 112.031 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 t -128.77 75.56 1.65 Allowed 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.395 -0.965 . . . . 99.95 108.395 164.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -48.97 4.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 116.535 2.05 . . . . 88.68 116.535 -164.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.1 mmtt -122.87 -34.75 3.14 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 113.771 1.026 . . . . 94.41 113.771 -175.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.56 -41.33 97.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 108.08 -1.081 . . . . 80.78 108.08 166.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -70.26 -43.13 71.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 74.66 110.435 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.71 -52.24 14.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.702 0.763 . . . . 70.98 112.245 171.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.3 -47.1 87.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.325 -0.852 . . . . 86.43 111.35 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -58.56 -47.06 85.5 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 116.122 -0.49 . . . . 68.1 112.312 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.17 -49.16 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 115.041 -0.981 . . . . 75.94 109.531 -175.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.687 -1.142 . . . . 100.62 109.58 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 39' ' ' ILE . 8.9 mt -60.37 -32.24 71.11 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 118.895 -1.122 . . . . 73.86 109.279 176.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -76.23 -40.15 52.78 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.422 0.897 . . . . 77.54 113.422 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -69.43 -30.58 68.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.767 -0.773 . . . . 90.6 109.514 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -64.16 -44.08 93.19 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 109.444 -0.576 . . . . 85.5 109.444 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG23 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -83.0 -26.82 7.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 123.904 0.752 . . . . 74.4 112.652 -173.316 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.67 -32.31 73.81 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 116.383 -2.127 . . . . 80.61 105.928 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.4 mt -76.42 -25.02 54.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.021 1.119 . . . . 91.36 114.021 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.51 141.59 0.98 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.466 0.913 . . . . 92.41 113.466 -174.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 4.8 tptp -113.6 -5.76 13.4 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.232 -0.44 . . . . 98.4 111.131 -176.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -140.49 147.03 38.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.099 0.476 . . . . 101.04 111.522 163.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 3' ' ' MET . 19.2 p -53.82 -20.43 5.76 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.498 1.296 . . . . 93.99 114.498 -173.406 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.4 m -74.01 -65.43 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.498 -0.481 . . . . 88.69 111.451 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -37.89 -55.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.143 0.977 . . . . 100.86 111.067 170.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.7 2.26 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.065 0.946 . . . . 89.2 113.046 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.32 -29.34 68.8 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.491 -0.484 . . . . 79.37 110.505 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' O ' HG12 ' A' ' 53' ' ' VAL . 5.6 mt-10 -75.83 -40.67 54.44 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 120.774 -0.371 . . . . 114.39 111.079 -179.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -73.43 -23.48 60.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.584 -0.846 . . . . 86.63 109.381 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 tpt -74.09 -29.23 61.76 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.465 -0.334 . . . . 74.07 111.804 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . 0.614 HG23 HD13 ' B' ' 111' ' ' ILE . 11.3 p -71.85 -35.27 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 118.807 -1.157 . . . . 73.57 108.065 179.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 m -68.88 -45.78 70.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.699 -0.4 . . . . 74.1 110.739 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 13' ' ' LEU . 19.2 tp -55.66 -49.51 72.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.423 0.527 . . . . 70.13 112.423 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.38 -36.83 79.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.08 0.4 . . . . 70.0 111.733 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . 0.428 ' CB ' HG13 ' B' ' 125' ' ' ILE . 91.3 p -53.71 -32.54 52.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 119.14 -0.457 . . . . 68.48 111.679 -179.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.97 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.326 0.584 . . . . 69.98 111.188 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 66' ' ' VAL . 35.8 tp -52.22 -67.54 0.24 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.185 -0.916 . . . . 74.47 108.71 170.497 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -55.28 -14.94 2.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.22 1.192 . . . . 70.47 114.22 -176.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.1 p -91.23 -6.67 53.0 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.466 -0.894 . . . . 82.31 111.687 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MET . . . . . 0.733 ' O ' ' O ' ' A' ' 101' ' ' HOH . 5.1 mtp -88.8 122.95 32.73 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.946 0.779 . . . . 90.62 111.755 -179.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.92 -76.6 0.11 Allowed 'General case' 0 C--O 1.234 0.275 0 N-CA-C 114.259 1.207 . . . . 98.75 114.259 -164.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.01 -31.85 73.81 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 119.515 -1.326 . . . . 98.33 112.136 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.65 -81.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.743 1.386 . . . . 99.98 114.743 -165.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 59' ' ' LEU . 6.3 t -108.5 126.6 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 119.862 -0.735 . . . . 103.01 110.593 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -98.24 106.17 18.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.501 -1.296 . . . . 109.37 107.501 163.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.1 mm -60.55 -32.55 51.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 115.242 -0.89 . . . . 104.26 110.939 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -68.74 -43.82 75.06 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.549 -0.908 . . . . 104.64 108.549 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -66.47 -28.81 68.88 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.613 0.721 . . . . 123.66 111.586 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 75' ' ' MET . 1.5 mp -69.18 -51.65 35.89 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.981 -0.748 . . . . 100.11 108.981 175.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 87.8 m -64.5 -23.42 67.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.221 -0.9 . . . . 101.56 110.654 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -54.64 -56.84 14.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.617 0.599 . . . . 133.57 112.617 170.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.58 -24.14 61.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.542 -0.754 . . . . 135.26 110.249 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 95.0 mmm -56.5 -39.26 72.99 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.369 0.418 . . . . 133.57 110.574 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . 0.649 ' O ' ' NH1' ' A' ' 79' ' ' ARG . 43.9 mt -94.49 -23.05 17.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.14 0.793 . . . . 111.73 113.14 -173.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -74.41 -28.37 61.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.086 -0.646 . . . . 115.09 111.816 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -114.84 61.12 0.68 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.354 -0.385 . . . . 120.73 111.135 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . 0.649 ' NH1' ' O ' ' A' ' 76' ' ' LEU . 29.2 mtm-85 -66.93 -31.01 71.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.985 1.105 . . . . 115.59 113.985 -179.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.98 -83.03 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 N-CA-C 106.708 -1.59 . . . . 117.17 106.708 162.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 123.938 0.895 . . . . 116.39 110.164 163.729 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . 0.72 ' O ' ' OE1' ' B' ' 173' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . 0.695 ' O ' ' OG1' ' B' ' 192' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 320' ' ' HOH . . . . . 0.748 ' O ' ' SD ' ' B' ' 95' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 321' ' ' HOH . . . . . 0.896 ' O ' ' SG ' ' B' ' 119' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.733 ' O ' ' O ' ' A' ' 62' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.466 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 . . . . . 0 C--O 1.237 0.431 0 N-CA-C 112.683 0.623 . . . . 115.0 112.683 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.575 ' N ' ' OD2' ' B' ' 83' ' ' ASP . 2.1 p-10 -55.5 -47.57 76.0 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.046 -0.525 . . . . 123.65 112.108 -177.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -70.27 -38.18 75.03 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 111.769 0.285 . . . . 107.07 111.769 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ARG . . . . . 0.431 ' NH2' HG21 ' B' ' 88' ' ' VAL . 1.3 mmp_? -71.29 -30.77 66.67 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.331 -0.395 . . . . 116.57 111.767 -179.77 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.398 -0.365 . . . . 95.94 110.988 173.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' LYS . . . . . 0.487 ' HA ' ' HB3' ' B' ' 90' ' ' SER . 11.5 mtpt -66.57 -25.31 66.58 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 112.055 0.391 . . . . 112.12 112.055 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' VAL . . . . . 0.431 HG21 ' NH2' ' B' ' 85' ' ' ARG . 41.8 t -63.22 -58.33 7.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 N-CA-C 107.458 -1.312 . . . . 88.95 107.458 171.786 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' THR . . . . . 0.597 HG22 ' OE1' ' B' ' 93' ' ' GLN . 1.6 m -56.65 -29.94 62.81 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 114.878 -1.056 . . . . 86.32 109.387 -179.532 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' B' ' 87' ' ' LYS . 5.8 t -66.25 -51.21 59.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.485 0.659 . . . . 97.06 111.466 177.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.55 -40.09 93.45 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.429 -0.805 . . . . 78.58 109.95 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' MET . . . . . . . . . . . . . 10.5 ttm -67.48 -40.63 85.28 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.366 0.506 . . . . 73.61 112.366 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.597 ' OE1' HG22 ' B' ' 89' ' ' THR . 9.1 mt-30 -70.56 -41.36 72.56 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.288 0.847 . . . . 85.3 113.288 175.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 90' ' ' SER . 2.7 m -55.05 -52.05 64.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.752 0.787 . . . . 79.48 109.15 174.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' MET . . . . . 0.748 ' SD ' ' O ' ' B' ' 320' ' ' HOH . 0.1 OUTLIER -66.33 -26.68 67.41 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.11 -1.405 . . . . 101.26 112.544 -174.237 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.484 HD22 HG21 ' A' ' 16' ' ' VAL . 5.8 tp -68.96 -43.23 75.42 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.56 0.578 . . . . 78.71 112.56 -177.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' PHE . . . . . 0.504 ' HA ' ' HB2' ' B' ' 100' ' ' LEU . 48.6 m-85 -73.31 -23.19 60.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.498 0.666 . . . . 83.77 111.377 179.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' THR . . . . . . . . . . . . . 1.5 m -67.5 -46.15 73.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.655 -0.702 . . . . 88.88 109.706 168.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' MET . . . . . . . . . . . . . 29.9 mmt -55.84 -41.35 74.17 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.428 -0.582 . . . . 112.74 109.428 170.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 97' ' ' PHE . 46.8 mt -67.19 -53.24 32.2 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.658 -0.701 . . . . 84.76 112.673 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 29.2 mmt-85 -50.7 -49.72 56.83 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.949 0.88 . . . . 101.51 112.381 177.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -64.22 -32.58 74.21 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 114.788 -1.096 . . . . 84.49 110.208 -175.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 2.8 mt -59.66 -27.09 66.07 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.209 -0.663 . . . . 82.69 109.209 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 11.6 t70 29.89 84.01 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.927 1.691 . . . . 99.99 113.836 -173.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -129.41 134.2 47.73 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.15 -0.932 . . . . 83.12 109.149 -178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ASP . . . . . . . . . . . . . 83.1 m-20 -59.14 -41.24 87.84 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.314 0.857 . . . . 97.87 113.314 -169.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.06 87.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.899 0.703 . . . . 80.73 112.899 -177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.497 ' O ' HG12 ' B' ' 111' ' ' ILE . 61.0 mt -68.27 -53.33 25.24 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 108.926 -0.768 . . . . 79.75 108.926 178.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -52.84 -37.17 59.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.384 0.883 . . . . 86.27 113.384 -178.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -49.86 -61.51 2.09 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.801 -0.636 . . . . 82.31 110.17 167.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ILE . . . . . 0.614 HD13 HG23 ' A' ' 53' ' ' VAL . 4.2 pt -72.91 -26.44 23.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 112.838 0.681 . . . . 72.24 112.838 -171.95 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.79 -48.35 51.75 Favored 'Isoleucine or valine' 0 C--O 1.243 0.739 0 C-N-CA 119.689 -0.805 . . . . 74.05 111.152 173.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -64.01 -47.11 81.58 Favored 'General case' 0 CA--C 1.487 -1.467 0 N-CA-C 109.123 -0.695 . . . . 84.07 109.123 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -52.84 -53.1 53.58 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.25 0.969 . . . . 71.48 110.085 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.76 -30.84 24.4 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.314 0.487 . . . . 71.84 112.314 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' ARG . . . . . . . . . . . . . 9.4 mtm180 -68.82 -31.19 69.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.826 0.676 . . . . 87.85 112.826 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -78.42 -8.5 58.56 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 113.889 1.07 . . . . 85.73 113.889 177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' GLY . . . . . . . . . . . . . . . 101.64 1.96 52.96 Favored Glycine 0 C--N 1.334 0.461 0 N-CA-C 109.874 -1.29 . . . . 69.63 109.874 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' CYS . . . . . 0.896 ' SG ' ' O ' ' B' ' 321' ' ' HOH . 36.4 t -88.62 93.99 9.74 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 113.605 0.965 . . . . 79.75 113.605 173.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.13 157.03 59.28 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 113.252 0.834 . . . . 73.36 113.252 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.09 144.25 16.58 Favored 'Trans proline' 0 CA--C 1.513 -0.564 0 C-N-CA 118.523 -0.518 . . . . 74.32 110.864 178.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.14 -26.9 21.06 Favored 'General case' 0 CA--C 1.504 -0.801 0 C-N-CA 119.248 -0.981 . . . . 78.01 110.067 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -130.78 -173.08 2.98 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.984 0.421 . . . . 80.41 111.787 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 16.8 mt -65.86 132.95 31.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 106.516 -1.661 . . . . 81.16 106.516 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' ILE . . . . . 0.428 HG13 ' CB ' ' A' ' 57' ' ' SER . 29.8 mt -57.48 126.51 75.27 Favored Pre-proline 0 CA--C 1.506 -0.715 0 N-CA-C 105.323 -2.103 . . . . 78.81 105.323 168.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -95.95 138.49 0.73 Allowed 'Trans proline' 0 C--N 1.331 -0.393 0 O-C-N 122.296 0.629 . . . . 92.38 112.441 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.6 mt -75.22 -32.89 61.29 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 124.46 1.104 . . . . 99.81 112.272 -172.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 73.4 p -71.05 -139.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.607 -1.179 . . . . 107.09 112.803 -169.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' THR . . . . . . . . . . . . . 61.6 p -134.41 -31.13 1.1 Allowed 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 119.554 -0.858 . . . . 110.11 112.393 -168.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.74 0.99 9.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.12 0.486 . . . . 102.4 110.584 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ALA . . . . . . . . . . . . . . . -72.99 139.85 46.95 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 107.765 -1.198 . . . . 97.38 107.765 166.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.418 ' NZ ' ' SD ' ' B' ' 134' ' ' MET . 12.7 pttp -90.09 147.53 23.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.679 1.228 . . . . 87.11 113.799 -169.515 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' LEU . . . . . . . . . . . . . 1.3 tt -112.98 147.17 37.7 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 113.568 -1.651 . . . . 81.1 108.846 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' MET . . . . . 0.418 ' SD ' ' NZ ' ' B' ' 132' ' ' LYS . 10.0 mtt -135.01 135.01 41.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.603 -0.888 . . . . 81.19 108.603 174.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 m -143.9 156.69 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 112.221 0.452 . . . . 72.17 112.221 176.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' VAL . . . . . . . . . . . . . 4.6 p -99.46 134.56 38.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 N-CA-C 108.604 -0.887 . . . . 68.47 108.604 177.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ILE . . . . . 0.449 HD13 HG23 ' B' ' 191' ' ' VAL . 2.2 mp -114.43 113.13 45.76 Favored Pre-proline 0 N--CA 1.454 -0.239 0 N-CA-C 106.946 -1.501 . . . . 74.16 106.946 173.023 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -88.71 -25.34 0.69 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 123.095 2.53 . . . . 68.08 113.623 -176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ASP . . . . . 0.507 ' HB2' ' OG1' ' B' ' 142' ' ' THR . 10.5 m-20 -121.11 151.26 40.08 Favored 'General case' 0 CA--C 1.478 -1.802 0 N-CA-C 107.324 -1.362 . . . . 78.23 107.324 -165.03 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -69.02 -30.0 68.29 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 123.984 0.802 . . . . 109.3 109.64 162.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -58.03 9.59 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.75 -0.594 . . . . 92.82 110.336 173.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' THR . . . . . 0.507 ' OG1' ' HB2' ' B' ' 139' ' ' ASP . 3.9 m -52.18 -48.7 64.86 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 114.309 -1.314 . . . . 81.9 109.231 -179.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.9 -50.11 61.69 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.481 -0.888 . . . . 104.34 111.818 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' B' ' 144' ' ' LYS . 6.7 mmtt -61.87 -43.57 98.59 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 120.391 -0.524 . . . . 95.37 111.398 -178.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -66.05 -25.86 67.24 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.68 0.622 . . . . 99.38 112.68 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' THR . . . . . . . . . . . . . 28.0 p -116.15 -29.59 6.23 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.828 1.048 . . . . 86.87 113.828 -169.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' CYS . . . . . . . . . . . . . 78.0 m -109.45 156.86 19.56 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.99 0.9 . . . . 93.21 113.271 177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -170.45 98.43 0.25 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 107.49 -1.3 . . . . 96.03 107.49 -172.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' GLY . . . . . . . . . . . . . . . 66.4 -128.15 30.01 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 105.983 -2.847 . . . . 89.85 105.983 -170.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' THR . . . . . . . . . . . . . 13.8 p -98.65 -1.33 41.06 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 115.015 1.487 . . . . 89.52 115.015 -176.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' THR . . . . . . . . . . . . . 31.0 p -96.26 144.48 26.4 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 119.338 -0.945 . . . . 91.99 109.699 -175.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' PHE . . . . . 0.411 ' HB3' ' HB2' ' B' ' 159' ' ' TRP . 14.6 t80 -123.92 111.87 16.56 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.481 -0.782 . . . . 82.9 109.205 -178.646 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' THR . . . . . . . . . . . . . 64.2 p -87.16 113.75 23.17 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.849 0.833 . . . . 87.32 110.224 -176.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -151.46 134.66 15.96 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.676 -1.147 . . . . 84.7 112.341 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' ALA . . . . . . . . . . . . . . . 58.81 41.92 20.76 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.295 -0.866 . . . . 85.31 111.198 172.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' SER . . . . . . . . . . . . . 19.5 m 53.2 38.3 27.23 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 115.381 -0.827 . . . . 96.9 111.438 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' ALA . . . . . . . . . . . . . . . -155.32 169.64 23.74 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.747 1.219 . . . . 95.23 108.471 167.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' B' ' 158' ' ' LEU . 23.8 mt -104.26 139.24 39.54 Favored 'General case' 0 C--O 1.246 0.887 0 N-CA-C 114.157 1.169 . . . . 95.93 114.157 -171.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' TRP . . . . . 0.411 ' HB2' ' HB3' ' B' ' 152' ' ' PHE . 21.3 m95 -129.36 147.34 51.18 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-N 115.681 -0.691 . . . . 92.43 112.559 -173.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -105.37 101.77 11.28 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-N 115.768 -0.651 . . . . 103.45 112.191 -175.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' ILE . . . . . . . . . . . . . 53.1 mt -50.21 106.04 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 CA-C-N 115.865 -0.607 . . . . 89.15 110.206 178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.57 -52.3 8.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.171 -0.922 . . . . 93.62 113.106 175.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -155.6 153.81 30.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 87.21 110.357 -179.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' VAL . . . . . 0.408 HG22 HG22 ' B' ' 191' ' ' VAL . 8.5 t -130.61 139.43 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 N-CA-C 107.435 -1.32 . . . . 73.19 107.435 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' VAL . . . . . 0.543 HG12 HD13 ' B' ' 171' ' ' ILE . 2.8 m -130.83 151.24 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-O 120.795 0.331 . . . . 73.6 110.892 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' ASP . . . . . 0.541 ' HB2' ' HB3' ' B' ' 186' ' ' ALA . 46.0 p-10 -87.02 178.99 6.76 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.683 -0.407 . . . . 80.54 110.532 -176.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.13 -26.65 39.87 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 120.058 -0.657 . . . . 81.7 111.854 -178.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -85.85 15.01 5.2 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 122.142 0.177 . . . . 93.27 111.347 -172.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' SER . . . . . . . . . . . . . 3.6 m 63.52 13.9 7.59 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 113.637 0.977 . . . . 89.23 113.637 -171.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 170' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -99.87 138.23 37.24 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.782 0.66 . . . . 92.74 112.782 -177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 171' ' ' ILE . . . . . 0.543 HD13 HG12 ' B' ' 165' ' ' VAL . 44.4 mm -52.84 143.56 4.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 C-N-CA 124.397 1.079 . . . . 81.78 112.569 -177.052 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 172' ' ' VAL . . . . . . . . . . . . . 93.7 t -129.63 131.97 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 105.957 -1.868 . . . . 74.77 105.957 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 173' ' ' GLN . . . . . 0.72 ' OE1' ' O ' ' B' ' 301' ' ' HOH . 36.2 mm-40 -87.51 136.64 32.86 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.122 -0.696 . . . . 84.05 109.122 176.769 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 174' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 177' ' ' ILE . 2.8 mp -38.15 -26.51 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.104 1.15 . . . . 84.26 114.104 178.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 175' ' ' SER . . . . . . . . . . . . . 20.0 p -93.04 -3.53 54.14 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.417 -0.356 . . . . 85.77 111.847 -170.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 176' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -92.45 -39.03 11.64 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.623 -0.431 . . . . 84.49 110.277 171.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 177' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' B' ' 174' ' ' LEU . 2.7 mt -59.3 82.29 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 108.018 -1.105 . . . . 87.21 108.018 163.121 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 178' ' ' SER . . . . . 0.561 ' OG ' ' O ' ' B' ' 179' ' ' MET . 4.9 t -138.71 160.56 39.35 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.826 -0.624 . . . . 92.73 111.201 -161.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 179' ' ' MET . . . . . 0.561 ' O ' ' OG ' ' B' ' 178' ' ' SER . 4.9 mmt -63.79 142.91 58.23 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 105.304 -2.11 . . . . 107.51 105.304 156.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 180' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' B' ' 179' ' ' MET . 2.5 m-20 81.52 -45.55 0.2 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.813 1.645 . . . . 103.92 114.357 -172.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 181' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -94.27 -23.86 17.68 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 115.484 1.661 . . . . 93.3 115.484 -170.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 182' ' ' SER . . . . . 0.54 ' HA ' HD12 ' B' ' 185' ' ' LEU . 7.6 p -40.13 -33.91 0.38 Allowed Pre-proline 0 CA--C 1.552 1.046 0 N-CA-C 117.185 2.291 . . . . 87.47 117.185 178.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 183' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -80.96 0.12 10.22 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 115.104 -2.797 . . . . 85.09 115.308 179.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 184' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -103.54 -8.2 20.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.142 0.496 . . . . 86.65 111.711 179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 185' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' B' ' 182' ' ' SER . 36.4 mt -76.53 163.04 27.29 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 123.799 0.84 . . . . 78.83 112.783 178.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 186' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' B' ' 166' ' ' ASP . . . -101.03 75.37 1.66 Allowed 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.145 0.498 . . . . 83.57 111.505 -177.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 187' ' ' TRP . . . . . 0.44 ' CE3' ' HG ' ' B' ' 189' ' ' LEU . 85.3 m95 -61.03 146.49 87.72 Favored Pre-proline 0 N--CA 1.448 -0.558 0 CA-C-N 115.485 -0.779 . . . . 73.47 110.162 174.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 188' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -83.11 158.74 75.06 Favored 'Cis proline' 0 N--CA 1.459 -0.535 0 CA-C-O 118.276 -0.802 . . . . 71.12 110.984 0.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 189' ' ' LEU . . . . . 0.44 ' HG ' ' CE3' ' B' ' 187' ' ' TRP . 14.2 mt -103.92 166.7 10.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.611 1.195 . . . . 67.68 110.619 177.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 190' ' ' ILE . . . . . . . . . . . . . 79.0 mt -128.62 116.53 41.78 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.277 0 CA-C-O 121.63 0.728 . . . . 69.61 112.156 179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 191' ' ' VAL . . . . . 0.449 HG23 HD13 ' B' ' 137' ' ' ILE . 90.3 t -91.78 120.87 41.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.65 -0.704 . . . . 75.47 109.507 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 192' ' ' THR . . . . . 0.695 ' OG1' ' O ' ' B' ' 302' ' ' HOH . 11.1 m -94.93 107.85 19.88 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.138 -0.69 . . . . 78.35 109.138 160.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 193' ' ' ALA . . . . . . . . . . . . . . . -114.56 169.69 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.199 0.523 . . . . 79.16 111.502 176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 194' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' B' ' 159' ' ' TRP . 8.0 mt -123.93 154.89 39.09 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 124.401 1.08 . . . . 96.76 109.041 178.48 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 195' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -85.87 147.51 26.24 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 119.95 -0.7 . . . . 98.34 110.516 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 196' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.493 0 N-CA-C 113.166 0.802 . . . . 113.73 113.166 -172.731 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . 0.549 ' OG ' ' N ' ' A' ' 2' ' ' LYS . 33.1 p . . . . . 0 C--O 1.239 0.539 0 CA-C-O 121.651 0.738 . . . . 115.06 111.394 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' N ' ' OG ' ' A' ' 1' ' ' SER . 1.0 OUTLIER -94.15 -11.96 29.37 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 105.609 -1.997 . . . . 111.9 105.609 173.455 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' MET . . . . . 0.574 ' HB2' HG22 ' A' ' 45' ' ' THR . 0.3 OUTLIER -50.15 -26.78 4.9 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 115.225 -0.898 . . . . 125.0 110.167 165.549 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.42 -35.31 77.45 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.075 -0.966 . . . . 93.58 110.457 172.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.544 ' HB2' ' HG2' ' A' ' 2' ' ' LYS . 39.3 m-20 -88.37 -38.42 15.12 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.641 -0.708 . . . . 97.57 111.589 -168.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.86 -33.74 59.36 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 CA-C-O 121.377 0.608 . . . . 89.06 109.495 175.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -72.42 -34.83 68.11 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.108 -0.497 . . . . 84.4 111.289 176.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.7 t -70.71 -51.09 29.75 Favored 'General case' 0 C--O 1.243 0.729 0 N-CA-C 107.901 -1.148 . . . . 111.8 107.901 178.81 168.605 0.0 0.0 0.0 0.0 0.0 0.0 168.605 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.7 m -51.26 -38.51 53.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.024 -0.534 . . . . 76.4 111.708 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 p -68.46 -41.4 80.26 Favored 'General case' 0 C--O 1.245 0.85 0 CA-C-O 121.207 0.527 . . . . 69.92 110.758 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.69 -38.05 49.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.341 -0.391 . . . . 68.21 110.727 172.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.6 t -79.26 -35.45 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 121.479 0.657 . . . . 63.84 109.924 -174.359 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 55' ' ' LEU . 29.9 tp -60.59 -45.29 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.416 -0.811 . . . . 66.07 111.181 175.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.5 tp -59.05 -48.72 80.55 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 108.069 -1.086 . . . . 67.1 108.069 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.3 t -58.8 -31.67 68.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.755 1.02 . . . . 64.48 113.755 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG21 HD22 ' B' ' 96' ' ' LEU . 95.5 t -69.43 -48.0 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 120.611 -0.435 . . . . 66.45 110.245 176.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -56.95 -38.47 72.98 Favored 'General case' 0 CA--C 1.514 -0.409 0 N-CA-C 109.194 -0.669 . . . . 70.2 109.194 176.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.645 ' NE2' ' OE2' ' A' ' 23' ' ' GLU . 5.6 tm0? -52.34 -59.99 3.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 107.971 -1.122 . . . . 83.67 107.971 177.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -68.82 -5.58 21.77 Favored 'General case' 0 C--O 1.243 0.714 0 N-CA-C 114.558 1.318 . . . . 97.38 114.558 -173.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.0 mt -105.17 14.78 28.57 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 107.701 -1.222 . . . . 74.53 107.701 172.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' NH1' ' O ' ' A' ' 102' ' ' HOH . 54.7 mtt85 68.12 46.42 1.16 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 114.53 1.307 . . . . 88.5 114.53 165.312 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -80.93 -25.54 10.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 112.409 0.522 . . . . 94.95 112.409 -176.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.645 ' OE2' ' NE2' ' A' ' 18' ' ' GLN . 23.5 mt-10 -61.78 -21.0 64.2 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.462 0.574 . . . . 85.34 111.824 -177.465 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.5 m -76.59 12.32 1.32 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.031 0.382 . . . . 107.82 112.031 174.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . 0.671 ' O ' ' N ' ' A' ' 27' ' ' LYS . 2.6 t -128.77 75.56 1.65 Allowed 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 108.395 -0.965 . . . . 99.95 108.395 164.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 51.8 p -48.97 4.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 116.535 2.05 . . . . 88.68 116.535 -164.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.671 ' N ' ' O ' ' A' ' 25' ' ' SER . 17.1 mmtt -122.87 -34.75 3.14 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 113.771 1.026 . . . . 94.41 113.771 -175.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.56 -41.33 97.23 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 108.08 -1.081 . . . . 80.78 108.08 166.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -70.26 -43.13 71.14 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.924 -0.58 . . . . 74.66 110.435 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -46.71 -52.24 14.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.702 0.763 . . . . 70.98 112.245 171.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.3 -47.1 87.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.325 -0.852 . . . . 86.43 111.35 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 99.4 m -58.56 -47.06 85.5 Favored 'General case' 0 CA--C 1.502 -0.872 0 CA-C-N 116.122 -0.49 . . . . 68.1 112.312 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -61.17 -49.16 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 CA-C-N 115.041 -0.981 . . . . 75.94 109.531 -175.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -62.91 -42.6 99.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.687 -1.142 . . . . 100.62 109.58 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' O ' HG23 ' A' ' 39' ' ' ILE . 8.9 mt -60.37 -32.24 71.11 Favored 'General case' 0 C--O 1.209 -1.069 0 C-N-CA 118.895 -1.122 . . . . 73.86 109.279 176.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -76.23 -40.15 52.78 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 113.422 0.897 . . . . 77.54 113.422 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -69.43 -30.58 68.54 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 119.767 -0.773 . . . . 90.6 109.514 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -64.16 -44.08 93.19 Favored 'General case' 0 CA--C 1.504 -0.8 0 N-CA-C 109.444 -0.576 . . . . 85.5 109.444 -173.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.407 HG23 ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -83.0 -26.82 7.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 O-C-N 123.904 0.752 . . . . 74.4 112.652 -173.316 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -65.67 -32.31 73.81 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 116.383 -2.127 . . . . 80.61 105.928 176.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.4 mt -76.42 -25.02 54.03 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.021 1.119 . . . . 91.36 114.021 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.51 141.59 0.98 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.466 0.913 . . . . 92.41 113.466 -174.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' HD2' ' HA ' ' A' ' 43' ' ' LYS . 4.8 tptp -113.6 -5.76 13.4 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 116.232 -0.44 . . . . 98.4 111.131 -176.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -140.49 147.03 38.96 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.099 0.476 . . . . 101.04 111.522 163.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . 0.574 HG22 ' HB2' ' A' ' 3' ' ' MET . 19.2 p -53.82 -20.43 5.76 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.498 1.296 . . . . 93.99 114.498 -173.406 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.4 m -74.01 -65.43 0.84 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.498 -0.481 . . . . 88.69 111.451 -172.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -37.89 -55.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.143 0.977 . . . . 100.86 111.067 170.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -46.89 -60.7 2.26 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.065 0.946 . . . . 89.2 113.046 174.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -60.32 -29.34 68.8 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.491 -0.484 . . . . 79.37 110.505 -177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.6 ' O ' HG12 ' A' ' 53' ' ' VAL . 5.6 mt-10 -75.83 -40.67 54.44 Favored 'General case' 0 CA--C 1.512 -0.504 0 C-N-CA 120.774 -0.371 . . . . 114.39 111.079 -179.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -73.43 -23.48 60.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 119.584 -0.846 . . . . 86.63 109.381 177.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 tpt -74.09 -29.23 61.76 Favored 'General case' 0 C--O 1.222 -0.385 0 CA-C-N 116.465 -0.334 . . . . 74.07 111.804 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.614 HG23 HD13 ' B' ' 111' ' ' ILE . 11.3 p -71.85 -35.27 54.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 C-N-CA 118.807 -1.157 . . . . 73.57 108.065 179.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.0 m -68.88 -45.78 70.12 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.699 -0.4 . . . . 74.1 110.739 -179.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.56 HD23 HD23 ' A' ' 13' ' ' LEU . 19.2 tp -55.66 -49.51 72.73 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.423 0.527 . . . . 70.13 112.423 176.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tp -60.38 -36.83 79.0 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 118.08 0.4 . . . . 70.0 111.733 178.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . 0.428 ' CB ' HG13 ' B' ' 125' ' ' ILE . 91.3 p -53.71 -32.54 52.32 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 119.14 -0.457 . . . . 68.48 111.679 -179.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -62.97 -45.94 97.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.608 0 CA-C-O 121.326 0.584 . . . . 69.98 111.188 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 66' ' ' VAL . 35.8 tp -52.22 -67.54 0.24 Allowed 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 115.185 -0.916 . . . . 74.47 108.71 170.497 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 56.2 mt -55.28 -14.94 2.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 114.22 1.192 . . . . 70.47 114.22 -176.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.1 p -91.23 -6.67 53.0 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 119.466 -0.894 . . . . 82.31 111.687 -179.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MET . . . . . 0.733 ' O ' ' O ' ' A' ' 101' ' ' HOH . 5.1 mtp -88.8 122.95 32.73 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 123.946 0.779 . . . . 90.62 111.755 -179.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -71.92 -76.6 0.11 Allowed 'General case' 0 C--O 1.234 0.275 0 N-CA-C 114.259 1.207 . . . . 98.75 114.259 -164.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.01 -31.85 73.81 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 119.515 -1.326 . . . . 98.33 112.136 -178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -45.65 -81.47 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 114.743 1.386 . . . . 99.98 114.743 -165.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG21 HD11 ' A' ' 59' ' ' LEU . 6.3 t -108.5 126.6 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 C-N-CA 119.862 -0.735 . . . . 103.01 110.593 177.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -98.24 106.17 18.42 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.501 -1.296 . . . . 109.37 107.501 163.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.1 mm -60.55 -32.55 51.74 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.429 0 CA-C-N 115.242 -0.89 . . . . 104.26 110.939 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -68.74 -43.82 75.06 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 108.549 -0.908 . . . . 104.64 108.549 -175.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -66.47 -28.81 68.88 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 121.613 0.721 . . . . 123.66 111.586 176.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' O ' ' HG2' ' A' ' 75' ' ' MET . 1.5 mp -69.18 -51.65 35.89 Favored 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.981 -0.748 . . . . 100.11 108.981 175.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 87.8 m -64.5 -23.42 67.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.221 -0.9 . . . . 101.56 110.654 -178.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -54.64 -56.84 14.81 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.617 0.599 . . . . 133.57 112.617 170.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -71.58 -24.14 61.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.542 -0.754 . . . . 135.26 110.249 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' MET . . . . . 0.46 ' HG2' ' O ' ' A' ' 71' ' ' LEU . 95.0 mmm -56.5 -39.26 72.99 Favored 'General case' 0 C--O 1.236 0.388 0 O-C-N 123.369 0.418 . . . . 133.57 110.574 176.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.649 ' O ' ' NH1' ' A' ' 79' ' ' ARG . 43.9 mt -94.49 -23.05 17.87 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.14 0.793 . . . . 111.73 113.14 -173.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -74.41 -28.37 61.04 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 120.086 -0.646 . . . . 115.09 111.816 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -114.84 61.12 0.68 Allowed 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.354 -0.385 . . . . 120.73 111.135 174.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.649 ' NH1' ' O ' ' A' ' 76' ' ' LEU . 29.2 mtm-85 -66.93 -31.01 71.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.985 1.105 . . . . 115.59 113.985 -179.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.98 -83.03 0.01 OUTLIER 'General case' 0 C--O 1.241 0.632 0 N-CA-C 106.708 -1.59 . . . . 117.17 106.708 162.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 m . . . . . 0 N--CA 1.471 0.591 0 C-N-CA 123.938 0.895 . . . . 116.39 110.164 163.729 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . 0.72 ' O ' ' OE1' ' B' ' 173' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . 0.695 ' O ' ' OG1' ' B' ' 192' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 320' ' ' HOH . . . . . 0.748 ' O ' ' SD ' ' B' ' 95' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 321' ' ' HOH . . . . . 0.896 ' O ' ' SG ' ' B' ' 119' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.733 ' O ' ' O ' ' A' ' 62' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.466 ' O ' ' NH1' ' A' ' 21' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_