data_6uxr_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 6uxr _Structure_validation_residue.Date_analyzed 2020-08-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.802 0.334 . . . . 115.75 110.677 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -70.52 -25.55 63.18 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.98 -0.688 . . . . 97.97 111.318 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.5 -45.58 92.34 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.722 -0.391 . . . . 92.4 110.765 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.81 -39.83 95.9 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 119.874 -1.155 . . . . 72.45 112.102 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.28 -40.97 94.56 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.499 -0.413 . . . . 110.61 111.332 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.32 -44.72 90.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.77 -0.772 . . . . 62.4 110.53 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.56 -37.81 94.8 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 120.131 -1.033 . . . . 45.85 113.424 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -63.89 -40.42 96.47 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 122.15 -0.617 . . . . 94.39 111.523 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -64.17 -39.37 93.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.493 -0.883 . . . . 58.6 111.519 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.32 -28.72 68.9 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.77 -1.172 . . . . 43.43 111.656 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.32 89.83 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.48 -0.888 . . . . 45.16 110.767 177.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.55 -52.44 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 121.426 0.631 . . . . 56.06 109.941 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.5 mt -60.37 -49.34 84.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.093 0.473 . . . . 39.32 110.889 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.36 -47.37 75.92 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.231 -0.985 . . . . 40.35 113.04 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.38 -34.21 77.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.538 -0.865 . . . . 60.06 111.227 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . 0.675 ' OD2' ' NH2' ' A' ' 88' ' ' ARG . 17.5 t0 -60.21 -49.39 77.81 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.845 -0.742 . . . . 52.35 111.535 178.668 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.3 -49.38 83.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-O 121.2 0.524 . . . . 41.59 110.188 173.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.68 -46.51 77.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.016 0.436 . . . . 57.32 110.956 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.58 -35.11 76.89 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.118 0.414 . . . . 89.02 112.118 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . 0.675 ' NH2' ' OD2' ' A' ' 84' ' ' ASP . 4.4 ttp180 -83.86 -31.15 25.91 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.865 0.691 . . . . 71.82 112.865 -168.661 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' TYR . . . . . 0.458 ' OH ' ' OD2' ' B' ' 84' ' ' ASP . 28.6 m-85 -122.89 -10.28 8.24 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 115.336 1.606 . . . . 64.66 115.336 -171.355 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.17 -52.41 65.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.688 1.131 . . . . 78.67 111.8 -173.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -68.95 -30.2 68.6 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 118.809 -1.156 . . . . 89.95 111.271 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.19 -35.05 77.4 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.705 -0.398 . . . . 84.9 111.671 176.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -59.68 -54.55 45.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.375 -0.53 . . . . 58.19 111.091 170.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -62.13 -32.52 73.11 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.697 0.258 . . . . 107.94 111.697 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -66.19 -40.52 90.48 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.317 -0.553 . . . . 89.33 111.351 172.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 45.3 mtp -62.73 -42.04 99.46 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.299 -0.56 . . . . 70.18 111.003 175.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.58 -36.56 76.36 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.187 -0.605 . . . . 69.3 111.892 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -57.07 -34.63 68.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.309 -0.556 . . . . 121.05 111.551 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -86.24 -32.8 20.96 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.888 0.699 . . . . 93.76 112.888 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.42 -38.24 89.32 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 111.848 0.314 . . . . 75.96 111.848 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 56.93 64.49 4.48 Favored Pre-proline 0 C--O 1.238 0.483 0 C-N-CA 124.932 1.293 . . . . 98.31 112.233 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.78 148.23 17.56 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 CA-C-N 119.183 0.744 . . . . 79.73 111.756 174.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' THR . . . . . 0.444 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 29.4 p -126.62 166.05 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.045 -0.98 . . . . 78.52 108.881 174.863 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.81 56.95 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.894 -0.722 . . . . 81.15 111.392 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -67.36 -41.0 85.84 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.748 -0.381 . . . . 102.96 111.62 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 103' ' ' THR . 32.9 p30 -105.66 -2.2 23.66 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.55 0.945 . . . . 75.35 113.55 -175.231 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.4 83.37 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.63 0.65 . . . . 65.24 111.667 -173.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -62.96 -42.06 99.71 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.164 -1.014 . . . . 70.99 111.0 178.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.83 -46.03 83.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.095 -0.642 . . . . 94.48 111.04 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -60.8 -46.01 92.19 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.689 -0.404 . . . . 70.12 111.043 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -63.91 -43.18 96.72 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.832 -0.747 . . . . 50.65 111.576 -174.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -75.54 -29.8 59.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.167 -1.013 . . . . 56.83 111.965 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -76.34 -37.07 57.86 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.512 -0.875 . . . . 108.84 111.201 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.82 -41.25 89.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 120.921 0.391 . . . . 53.08 110.279 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.45 98.84 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.134 -0.626 . . . . 46.92 111.069 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 49.8 m -61.74 -46.81 88.01 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.66 -0.416 . . . . 60.69 110.822 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.3 t -60.79 -42.47 97.63 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.53 -0.468 . . . . 77.46 111.235 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.71 -52.22 66.62 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.817 -0.353 . . . . 52.47 111.509 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -82.39 -12.71 57.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.719 1.007 . . . . 56.92 113.719 -169.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.97 -20.24 65.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 119.005 -1.078 . . . . 79.03 111.855 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' SER . . . . . 0.631 ' OG ' ' O ' ' A' ' 201' ' ' HOH . 0.6 OUTLIER -90.45 2.13 55.97 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 112.685 0.624 . . . . 61.61 112.685 173.403 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 128.88 173.39 13.41 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-O 122.326 0.959 . . . . 54.91 111.736 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.5 tt -142.77 135.79 26.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 114.299 -0.951 . . . . 49.64 109.307 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -148.77 172.28 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 105.306 -2.109 . . . . 39.54 105.306 168.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -65.48 -29.75 70.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 118.086 -1.446 . . . . 40.31 111.579 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.47 97.54 Favored Glycine 0 C--N 1.343 0.958 0 C-N-CA 119.403 -1.38 . . . . 33.46 112.704 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -61.96 -40.35 95.28 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.962 -0.695 . . . . 40.86 111.029 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.41 -48.9 86.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.839 -0.744 . . . . 33.83 110.609 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 19.8 m -75.1 -26.66 19.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 118.742 -1.183 . . . . 35.34 111.223 -176.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.67 94.01 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.854 -1.139 . . . . 34.1 110.656 170.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.4 -40.29 93.23 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.125 -0.359 . . . . 37.47 111.527 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.65 -42.26 91.63 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.055 -0.658 . . . . 40.34 111.113 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.03 97.16 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 119.751 -1.214 . . . . 39.17 111.99 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -62.22 -40.07 94.88 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 122.378 -0.483 . . . . 45.46 111.452 175.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.48 -38.26 95.53 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.095 -1.05 . . . . 41.4 112.735 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.45 -46.02 84.08 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.818 -0.753 . . . . 56.47 110.216 172.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ARG . . . . . 0.49 ' NH2' ' O ' ' A' ' 205' ' ' HOH . 19.7 mmt180 -64.19 -37.43 87.45 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.362 -0.535 . . . . 81.36 111.562 177.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.59 -38.03 88.56 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.964 -0.694 . . . . 66.26 110.938 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.49 -47.63 75.38 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.739 0.304 . . . . 56.58 111.15 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.2 -38.21 88.26 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.315 -0.554 . . . . 79.47 110.981 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -60.98 -44.26 97.63 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.645 -0.422 . . . . 68.95 111.167 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.1 -43.86 99.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 120.353 -0.539 . . . . 72.77 110.443 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.39 -43.04 99.76 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.376 -0.93 . . . . 89.55 111.21 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -63.58 -33.23 75.15 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.594 0.22 . . . . 120.25 111.594 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -99.02 16.85 21.25 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.392 0.515 . . . . 98.33 112.392 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.203 -0.359 . . . . 102.6 112.203 176.661 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-O 120.865 0.147 . . . . 81.18 112.834 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 85.0 p -60.2 -32.92 71.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.719 -0.393 . . . . 95.78 111.693 177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -83.29 6.16 20.65 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.988 0.736 . . . . 75.83 112.988 -178.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.3 p -99.18 8.04 45.22 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.104 0.779 . . . . 54.45 113.104 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 18.2 mmt -56.96 -44.61 82.76 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.595 0.634 . . . . 84.96 111.066 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.0 94.45 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 119.666 -1.254 . . . . 45.9 111.741 177.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.89 -45.93 85.67 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 122.418 -0.46 . . . . 87.28 111.666 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.2 -40.81 89.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 C-N-CA 119.538 -0.865 . . . . 45.34 110.546 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.18 -42.46 98.62 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.79 -1.195 . . . . 41.22 112.73 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -65.48 -37.92 88.26 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.335 -0.546 . . . . 63.1 111.356 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.82 -37.92 87.55 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.089 -0.644 . . . . 56.47 111.672 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.88 -29.13 64.03 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.841 -0.744 . . . . 39.91 111.433 176.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 121.281 -0.168 . . . . 38.46 111.422 172.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -48.36 88.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 121.458 0.646 . . . . 47.97 110.397 174.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.21 -45.24 96.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 O-C-N 121.96 -0.462 . . . . 35.47 110.624 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.06 98.59 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 119.919 -1.134 . . . . 34.15 113.291 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.19 -35.85 82.15 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 122.181 -0.599 . . . . 46.77 111.158 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASP . . . . . 0.711 ' OD1' ' O ' ' B' ' 301' ' ' HOH . 38.9 t70 -68.13 -38.74 82.55 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.087 0.47 . . . . 43.18 110.733 176.935 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.18 -46.16 94.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 121.144 0.497 . . . . 35.33 110.3 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.94 -44.61 94.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.722 -0.391 . . . . 36.24 110.666 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . 0.513 ' NH2' ' OD1' ' B' ' 84' ' ' ASP . 57.0 ttp85 -60.39 -44.02 96.09 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.781 -0.367 . . . . 46.86 111.625 -179.607 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -71.18 -33.73 70.26 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.192 0.812 . . . . 64.43 113.192 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -124.29 -12.22 7.36 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 116.653 2.094 . . . . 41.81 116.653 -166.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.62 -51.02 71.62 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 120.056 1.298 . . . . 43.17 111.614 -178.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -66.19 -36.95 84.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.064 -1.054 . . . . 60.56 110.911 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.04 -43.61 98.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.874 0.369 . . . . 51.34 111.148 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -61.96 -43.6 98.51 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.905 -0.318 . . . . 36.73 111.424 176.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.35 -37.1 84.38 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.487 -0.885 . . . . 57.99 111.317 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 50.5 m -67.05 -42.82 84.15 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.211 -0.996 . . . . 47.22 110.98 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 81.9 mtp -57.12 -38.5 73.52 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.849 0.357 . . . . 56.47 111.071 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.03 -28.54 61.47 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.208 -0.597 . . . . 55.1 111.938 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.22 -33.87 77.01 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.524 -0.87 . . . . 84.13 111.737 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -74.15 -38.13 63.82 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.723 -0.791 . . . . 90.41 110.95 174.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.75 -32.92 64.08 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 111.957 0.354 . . . . 71.43 111.957 -174.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 49.56 65.93 6.33 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.904 1.281 . . . . 101.7 111.917 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.52 155.37 31.84 Favored 'Trans proline' 0 C--N 1.329 -0.477 0 CA-C-O 121.992 0.747 . . . . 73.19 111.475 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 174.72 9.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.783 -1.099 . . . . 79.36 108.697 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.91 72.1 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.528 -0.869 . . . . 73.88 110.957 175.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -76.21 -26.9 56.57 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.933 0.716 . . . . 91.98 112.933 -173.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -114.37 4.35 15.32 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.595 0.961 . . . . 88.15 113.595 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.89 98.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 118.688 0.676 . . . . 66.31 111.692 -173.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.64 -43.43 80.36 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.446 -0.901 . . . . 65.77 111.139 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -64.39 -43.68 93.69 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.953 -0.699 . . . . 89.77 111.119 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -60.17 -47.24 86.76 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.645 -0.422 . . . . 79.15 111.286 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.74 -45.51 89.55 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.878 -0.729 . . . . 42.79 111.172 -176.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' THR . . . . . . . . . . . . . 82.4 p -71.19 -34.11 70.59 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.803 -1.159 . . . . 55.38 112.123 -178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -67.44 -38.78 85.03 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.208 -0.997 . . . . 90.07 111.295 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.23 -40.35 86.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 120.192 -0.603 . . . . 52.42 110.265 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.05 99.66 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.908 -0.495 . . . . 46.93 111.954 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' THR . . . . . . . . . . . . . 72.5 p -64.26 -43.75 93.91 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.427 -0.909 . . . . 80.3 111.063 179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 2.4 t -61.42 -38.76 88.29 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.267 -0.573 . . . . 59.7 111.171 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.93 -54.39 45.64 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.906 -0.318 . . . . 52.31 111.281 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.22 -4.64 56.13 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 113.361 0.875 . . . . 56.72 113.361 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -60.2 -32.03 70.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.61 0.641 . . . . 102.21 111.512 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.0 p -98.97 8.4 45.05 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.692 0.627 . . . . 76.21 112.692 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 134.23 173.86 13.3 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.302 -0.951 . . . . 58.4 114.191 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 8.7 tt -146.48 135.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.787 -0.819 . . . . 55.44 108.787 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -149.97 170.7 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.966 -1.865 . . . . 46.76 105.966 169.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -62.73 -28.08 69.71 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 118.854 -1.139 . . . . 45.07 110.948 -174.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.67 95.7 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 120.018 -1.087 . . . . 37.85 112.418 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.09 -38.84 92.51 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.929 -0.708 . . . . 51.6 110.744 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.34 -46.3 95.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.162 -0.615 . . . . 33.22 110.551 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 30.5 m -71.1 -33.23 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 118.182 -1.407 . . . . 42.86 110.931 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.3 93.76 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 121.855 -0.528 . . . . 31.72 111.223 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.39 -39.51 94.0 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.24 -0.584 . . . . 33.65 111.328 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.42 -44.41 78.86 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.348 -0.541 . . . . 38.78 111.291 -178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.35 99.31 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.39 -0.91 . . . . 32.75 112.722 175.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.62 -44.84 95.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 122.196 -0.59 . . . . 51.67 111.357 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.49 92.1 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 119.861 -1.162 . . . . 37.94 112.574 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -60.82 -46.5 90.31 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.104 -0.638 . . . . 43.65 110.523 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -66.35 -34.03 77.07 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.842 -0.743 . . . . 55.32 111.637 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.59 -46.13 91.38 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.201 -0.6 . . . . 57.69 110.472 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.49 79.3 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 46.32 110.827 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.84 -39.8 95.47 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.981 -0.688 . . . . 59.39 111.767 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.25 -42.13 99.13 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.195 -0.602 . . . . 59.11 111.008 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 t -60.84 -44.02 96.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.896 0.379 . . . . 65.42 110.361 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.65 -42.77 93.57 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.549 -0.861 . . . . 85.35 110.953 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -65.49 -38.98 91.36 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.683 -0.407 . . . . 107.4 111.612 -178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -62.77 -34.1 76.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.433 -0.907 . . . . 118.98 111.232 176.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.72 -13.88 61.91 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-O 119.011 -0.883 . . . . 105.09 114.675 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 118.114 0.957 . . . . 122.66 110.678 179.028 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' K6G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' K6G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.631 ' O ' ' OG ' ' A' ' 121' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.49 ' O ' ' NH2' ' A' ' 137' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . 0.711 ' O ' ' OD1' ' B' ' 84' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud orig full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.802 0.334 . . . . 115.75 110.677 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -70.52 -25.55 63.18 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.98 -0.688 . . . . 97.97 111.318 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.5 -45.58 92.34 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.722 -0.391 . . . . 92.4 110.765 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.81 -39.83 95.9 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 119.874 -1.155 . . . . 72.45 112.102 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.28 -40.97 94.56 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.499 -0.413 . . . . 110.61 111.332 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.32 -44.72 90.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.77 -0.772 . . . . 62.4 110.53 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.56 -37.81 94.8 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 120.131 -1.033 . . . . 45.85 113.424 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -63.89 -40.42 96.47 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 122.15 -0.617 . . . . 94.39 111.523 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -64.17 -39.37 93.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.493 -0.883 . . . . 58.6 111.519 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.32 -28.72 68.9 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.77 -1.172 . . . . 43.43 111.656 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.32 89.83 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.48 -0.888 . . . . 45.16 110.767 177.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.55 -52.44 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 121.426 0.631 . . . . 56.06 109.941 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.5 mt -60.37 -49.34 84.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.093 0.473 . . . . 39.32 110.889 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.36 -47.37 75.92 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.231 -0.985 . . . . 40.35 113.04 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.38 -34.21 77.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.538 -0.865 . . . . 60.06 111.227 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . 0.675 ' OD2' ' NH2' ' A' ' 88' ' ' ARG . 17.5 t0 -60.21 -49.39 77.81 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.845 -0.742 . . . . 52.35 111.535 178.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.3 -49.38 83.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-O 121.2 0.524 . . . . 41.59 110.188 173.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.68 -46.51 77.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.016 0.436 . . . . 57.32 110.956 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.58 -35.11 76.89 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.118 0.414 . . . . 89.02 112.118 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . 0.675 ' NH2' ' OD2' ' A' ' 84' ' ' ASP . 4.4 ttp180 -83.86 -31.15 25.91 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.865 0.691 . . . . 71.82 112.865 -168.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 28.6 m-85 -122.89 -10.28 8.24 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 115.336 1.606 . . . . 64.66 115.336 -171.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.17 -52.41 65.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.688 1.131 . . . . 78.67 111.8 -173.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -68.95 -30.2 68.6 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 118.809 -1.156 . . . . 89.95 111.271 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.19 -35.05 77.4 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.705 -0.398 . . . . 84.9 111.671 176.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -59.68 -54.55 45.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.375 -0.53 . . . . 58.19 111.091 170.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -62.13 -32.52 73.11 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.697 0.258 . . . . 107.94 111.697 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -66.19 -40.52 90.48 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.317 -0.553 . . . . 89.33 111.351 172.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 45.3 mtp -62.73 -42.04 99.46 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.299 -0.56 . . . . 70.18 111.003 175.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.58 -36.56 76.36 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.187 -0.605 . . . . 69.3 111.892 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -57.07 -34.63 68.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.309 -0.556 . . . . 121.05 111.551 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -86.24 -32.8 20.96 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.888 0.699 . . . . 93.76 112.888 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.42 -38.24 89.32 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 111.848 0.314 . . . . 75.96 111.848 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 56.93 64.49 4.48 Favored Pre-proline 0 C--O 1.238 0.483 0 C-N-CA 124.932 1.293 . . . . 98.31 112.233 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.78 148.23 17.56 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 CA-C-N 119.183 0.744 . . . . 79.73 111.756 174.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.4 p -126.62 166.05 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.045 -0.98 . . . . 78.52 108.881 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.81 56.95 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.894 -0.722 . . . . 81.15 111.392 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -67.36 -41.0 85.84 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.748 -0.381 . . . . 102.96 111.62 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -105.66 -2.2 23.66 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.55 0.945 . . . . 75.35 113.55 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.4 83.37 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.63 0.65 . . . . 65.24 111.667 -173.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -62.96 -42.06 99.71 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.164 -1.014 . . . . 70.99 111.0 178.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.83 -46.03 83.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.095 -0.642 . . . . 94.48 111.04 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -60.8 -46.01 92.19 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.689 -0.404 . . . . 70.12 111.043 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -63.91 -43.18 96.72 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.832 -0.747 . . . . 50.65 111.576 -174.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -75.54 -29.8 59.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.167 -1.013 . . . . 56.83 111.965 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -76.34 -37.07 57.86 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.512 -0.875 . . . . 108.84 111.201 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.82 -41.25 89.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 120.921 0.391 . . . . 53.08 110.279 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.45 98.84 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.134 -0.626 . . . . 46.92 111.069 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 49.8 m -61.74 -46.81 88.01 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.66 -0.416 . . . . 60.69 110.822 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.3 t -60.79 -42.47 97.63 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.53 -0.468 . . . . 77.46 111.235 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.71 -52.22 66.62 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.817 -0.353 . . . . 52.47 111.509 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -82.39 -12.71 57.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.719 1.007 . . . . 56.92 113.719 -169.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.97 -20.24 65.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 119.005 -1.078 . . . . 79.03 111.855 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.45 2.13 55.97 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 112.685 0.624 . . . . 61.61 112.685 173.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 128.88 173.39 13.41 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-O 122.326 0.959 . . . . 54.91 111.736 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.5 tt -142.77 135.79 26.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 114.299 -0.951 . . . . 49.64 109.307 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -148.77 172.28 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 105.306 -2.109 . . . . 39.54 105.306 168.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -65.48 -29.75 70.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 118.086 -1.446 . . . . 40.31 111.579 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.47 97.54 Favored Glycine 0 C--N 1.343 0.958 0 C-N-CA 119.403 -1.38 . . . . 33.46 112.704 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -61.96 -40.35 95.28 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.962 -0.695 . . . . 40.86 111.029 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.41 -48.9 86.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.839 -0.744 . . . . 33.83 110.609 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' B' ' 129' ' ' VAL . 19.8 m -75.1 -26.66 19.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 118.742 -1.183 . . . . 35.34 111.223 -176.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.67 94.01 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.854 -1.139 . . . . 34.1 110.656 170.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.4 -40.29 93.23 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.125 -0.359 . . . . 37.47 111.527 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.65 -42.26 91.63 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.055 -0.658 . . . . 40.34 111.113 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.03 97.16 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 119.751 -1.214 . . . . 39.17 111.99 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -62.22 -40.07 94.88 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 122.378 -0.483 . . . . 45.46 111.452 175.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.48 -38.26 95.53 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.095 -1.05 . . . . 41.4 112.735 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.45 -46.02 84.08 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.818 -0.753 . . . . 56.47 110.216 172.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -64.19 -37.43 87.45 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.362 -0.535 . . . . 81.36 111.562 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.59 -38.03 88.56 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.964 -0.694 . . . . 66.26 110.938 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.49 -47.63 75.38 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.739 0.304 . . . . 56.58 111.15 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.2 -38.21 88.26 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.315 -0.554 . . . . 79.47 110.981 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -60.98 -44.26 97.63 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.645 -0.422 . . . . 68.95 111.167 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.1 -43.86 99.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 120.353 -0.539 . . . . 72.77 110.443 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.39 -43.04 99.76 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.376 -0.93 . . . . 89.55 111.21 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -63.58 -33.23 75.15 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.594 0.22 . . . . 120.25 111.594 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -99.02 16.85 21.25 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.392 0.515 . . . . 98.33 112.392 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.203 -0.359 . . . . 102.6 112.203 176.661 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-O 120.865 0.147 . . . . 81.18 112.834 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 85.0 p -60.2 -32.92 71.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.719 -0.393 . . . . 95.78 111.693 177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -83.29 6.16 20.65 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.988 0.736 . . . . 75.83 112.988 -178.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.3 p -99.18 8.04 45.22 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.104 0.779 . . . . 54.45 113.104 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 18.2 mmt -56.96 -44.61 82.76 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.595 0.634 . . . . 84.96 111.066 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.0 94.45 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 119.666 -1.254 . . . . 45.9 111.741 177.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.89 -45.93 85.67 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 122.418 -0.46 . . . . 87.28 111.666 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.2 -40.81 89.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 C-N-CA 119.538 -0.865 . . . . 45.34 110.546 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.18 -42.46 98.62 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.79 -1.195 . . . . 41.22 112.73 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -65.48 -37.92 88.26 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.335 -0.546 . . . . 63.1 111.356 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.82 -37.92 87.55 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.089 -0.644 . . . . 56.47 111.672 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.88 -29.13 64.03 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.841 -0.744 . . . . 39.91 111.433 176.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 121.281 -0.168 . . . . 38.46 111.422 172.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -48.36 88.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 121.458 0.646 . . . . 47.97 110.397 174.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.21 -45.24 96.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 O-C-N 121.96 -0.462 . . . . 35.47 110.624 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.06 98.59 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 119.919 -1.134 . . . . 34.15 113.291 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.19 -35.85 82.15 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 122.181 -0.599 . . . . 46.77 111.158 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASP . . . . . 0.711 ' OD1' ' O ' ' B' ' 301' ' ' HOH . 38.9 t70 -68.13 -38.74 82.55 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.087 0.47 . . . . 43.18 110.733 176.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.18 -46.16 94.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 121.144 0.497 . . . . 35.33 110.3 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.94 -44.61 94.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.722 -0.391 . . . . 36.94 110.666 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . 0.406 ' NH2' ' OD1' ' B' ' 84' ' ' ASP . 57.0 ttp85 -60.39 -44.02 96.09 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.781 -0.367 . . . . 51.3 111.625 -179.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -71.18 -33.73 70.26 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.192 0.812 . . . . 64.43 113.192 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -124.29 -12.22 7.36 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 116.653 2.094 . . . . 41.81 116.653 -166.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.62 -51.02 71.62 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 120.056 1.298 . . . . 43.17 111.614 -178.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -66.19 -36.95 84.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.064 -1.054 . . . . 60.56 110.911 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.04 -43.61 98.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.874 0.369 . . . . 51.34 111.148 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -61.96 -43.6 98.51 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.905 -0.318 . . . . 36.73 111.424 176.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.35 -37.1 84.38 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.487 -0.885 . . . . 57.99 111.317 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 50.5 m -67.05 -42.82 84.15 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.211 -0.996 . . . . 47.22 110.98 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 81.9 mtp -57.12 -38.5 73.52 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.849 0.357 . . . . 56.47 111.071 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.03 -28.54 61.47 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.208 -0.597 . . . . 55.1 111.938 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.22 -33.87 77.01 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.524 -0.87 . . . . 84.13 111.737 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -74.15 -38.13 63.82 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.723 -0.791 . . . . 90.41 110.95 174.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.75 -32.92 64.08 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 111.957 0.354 . . . . 71.43 111.957 -174.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 49.56 65.93 6.33 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.904 1.281 . . . . 101.7 111.917 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.52 155.37 31.84 Favored 'Trans proline' 0 C--N 1.329 -0.477 0 CA-C-O 121.992 0.747 . . . . 73.19 111.475 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 174.72 9.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.783 -1.099 . . . . 79.36 108.697 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.91 72.1 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.528 -0.869 . . . . 73.88 110.957 175.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -76.21 -26.9 56.57 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.933 0.716 . . . . 91.98 112.933 -173.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -114.37 4.35 15.32 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.595 0.961 . . . . 88.15 113.595 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.89 98.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 118.688 0.676 . . . . 66.31 111.692 -173.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.64 -43.43 80.36 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.446 -0.901 . . . . 65.77 111.139 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -64.39 -43.68 93.69 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.953 -0.699 . . . . 89.77 111.119 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -60.17 -47.24 86.76 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.645 -0.422 . . . . 79.15 111.286 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.74 -45.51 89.55 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.878 -0.729 . . . . 42.79 111.172 -176.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' THR . . . . . 0.517 ' O ' HG23 ' B' ' 116' ' ' THR . 82.4 p -71.19 -34.11 70.59 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.803 -1.159 . . . . 55.38 112.123 -178.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -67.44 -38.78 85.03 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.208 -0.997 . . . . 90.07 111.295 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.23 -40.35 86.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 120.192 -0.603 . . . . 52.42 110.265 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.05 99.66 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.908 -0.495 . . . . 46.93 111.954 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' THR . . . . . 0.517 HG23 ' O ' ' B' ' 112' ' ' THR . 72.5 p -64.26 -43.75 93.91 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.427 -0.909 . . . . 80.3 111.063 179.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 2.4 t -61.42 -38.76 88.29 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.267 -0.573 . . . . 59.7 111.171 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.93 -54.39 45.64 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.906 -0.318 . . . . 52.31 111.281 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.22 -4.64 56.13 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 113.361 0.875 . . . . 56.72 113.361 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -60.2 -32.03 70.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.61 0.641 . . . . 102.21 111.512 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.0 p -98.97 8.4 45.05 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.692 0.627 . . . . 76.21 112.692 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 134.23 173.86 13.3 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.302 -0.951 . . . . 58.4 114.191 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 8.7 tt -146.48 135.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.787 -0.819 . . . . 55.44 108.787 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -149.97 170.7 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.966 -1.865 . . . . 46.76 105.966 169.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -62.73 -28.08 69.71 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 118.854 -1.139 . . . . 45.07 110.948 -174.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.67 95.7 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 120.018 -1.087 . . . . 37.85 112.418 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.09 -38.84 92.51 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.929 -0.708 . . . . 51.6 110.744 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.34 -46.3 95.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.162 -0.615 . . . . 33.22 110.551 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 129' ' ' VAL . 30.5 m -71.1 -33.23 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 118.182 -1.407 . . . . 42.86 110.931 -176.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.3 93.76 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 121.855 -0.528 . . . . 31.72 111.223 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.39 -39.51 94.0 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.24 -0.584 . . . . 33.65 111.328 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.42 -44.41 78.86 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.348 -0.541 . . . . 38.78 111.291 -178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.35 99.31 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.39 -0.91 . . . . 32.75 112.722 175.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.62 -44.84 95.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 122.196 -0.59 . . . . 51.67 111.357 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.49 92.1 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 119.861 -1.162 . . . . 37.94 112.574 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -60.82 -46.5 90.31 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.104 -0.638 . . . . 43.65 110.523 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -66.35 -34.03 77.07 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.842 -0.743 . . . . 55.32 111.637 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.59 -46.13 91.38 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.201 -0.6 . . . . 57.69 110.472 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.49 79.3 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 46.32 110.827 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' B' ' 144' ' ' GLN . 6.6 mp -62.84 -39.8 95.47 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.981 -0.688 . . . . 59.39 111.767 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.25 -42.13 99.13 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.195 -0.602 . . . . 59.11 111.008 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 t -60.84 -44.02 96.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.896 0.379 . . . . 65.42 110.361 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.65 -42.77 93.57 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.549 -0.861 . . . . 85.35 110.953 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' B' ' 140' ' ' LEU . 49.9 mm-40 -65.49 -38.98 91.36 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.683 -0.407 . . . . 107.4 111.612 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -62.77 -34.1 76.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.433 -0.907 . . . . 118.98 111.232 176.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.72 -13.88 61.91 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-O 119.011 -0.883 . . . . 105.09 114.675 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 118.114 0.957 . . . . 122.66 110.678 179.028 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' K6G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' K6G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' PG4 . . . . . 0.546 ' H82' ' H42' ' B' ' 204' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 204' ' ' PGE . . . . . 0.546 ' H42' ' H82' ' B' ' 203' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . 0.711 ' O ' ' OD1' ' B' ' 84' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud build full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.1 t . . . . . 0 CA--C 1.521 -0.151 0 CA-C-O 120.802 0.334 . . . . 115.75 110.677 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.8 p -70.52 -25.55 63.18 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.98 -0.688 . . . . 97.97 111.318 177.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.5 -45.58 92.34 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.722 -0.391 . . . . 92.4 110.765 174.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.81 -39.83 95.9 Favored Glycine 0 C--N 1.336 0.528 0 C-N-CA 119.874 -1.155 . . . . 72.45 112.102 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -65.28 -40.97 94.56 Favored 'General case' 0 C--O 1.239 0.508 0 O-C-N 122.499 -0.413 . . . . 110.61 111.332 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -66.32 -44.72 90.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.77 -0.772 . . . . 62.4 110.53 178.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -61.56 -37.81 94.8 Favored Glycine 0 C--N 1.338 0.644 0 C-N-CA 120.131 -1.033 . . . . 45.85 113.424 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.4 mtm-85 -63.89 -40.42 96.47 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 122.15 -0.617 . . . . 94.39 111.523 174.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -64.17 -39.37 93.87 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.493 -0.883 . . . . 58.6 111.519 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.32 -28.72 68.9 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 118.77 -1.172 . . . . 43.43 111.656 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.12 -39.32 89.83 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 119.48 -0.888 . . . . 45.16 110.767 177.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 21.1 mm -60.55 -52.44 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-O 121.426 0.631 . . . . 56.06 109.941 176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.5 mt -60.37 -49.34 84.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 CA-C-O 121.093 0.473 . . . . 39.32 110.889 179.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -55.36 -47.37 75.92 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.231 -0.985 . . . . 40.35 113.04 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.38 -34.21 77.78 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.538 -0.865 . . . . 60.06 111.227 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.675 ' OD2' ' NH2' ' A' ' 88' ' ' ARG . 17.5 t0 -60.21 -49.39 77.81 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.845 -0.742 . . . . 52.35 111.535 178.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.3 -49.38 83.67 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-O 121.2 0.524 . . . . 41.59 110.188 173.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.68 -46.51 77.59 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.016 0.436 . . . . 57.32 110.956 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 35.1 ttm105 -61.58 -35.11 76.89 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 112.118 0.414 . . . . 89.02 112.118 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.675 ' NH2' ' OD2' ' A' ' 84' ' ' ASP . 4.4 ttp180 -83.86 -31.15 25.91 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.865 0.691 . . . . 71.82 112.865 -168.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.485 ' CE1' ' HG2' ' A' ' 88' ' ' ARG . 28.6 m-85 -122.89 -10.28 8.24 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 115.336 1.606 . . . . 64.66 115.336 -171.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.17 -52.41 65.43 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.688 1.131 . . . . 78.67 111.8 -173.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.0 p -68.95 -30.2 68.6 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 118.809 -1.156 . . . . 89.95 111.271 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -68.19 -35.05 77.4 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.705 -0.398 . . . . 84.9 111.671 176.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -59.68 -54.55 45.07 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.375 -0.53 . . . . 58.19 111.091 170.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -62.13 -32.52 73.11 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 111.697 0.258 . . . . 107.94 111.697 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 42.6 m -66.19 -40.52 90.48 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.317 -0.553 . . . . 89.33 111.351 172.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' MET . . . . . . . . . . . . . 45.3 mtp -62.73 -42.04 99.46 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.299 -0.56 . . . . 70.18 111.003 175.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.58 -36.56 76.36 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.187 -0.605 . . . . 69.3 111.892 -179.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -57.07 -34.63 68.47 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.309 -0.556 . . . . 121.05 111.551 176.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -86.24 -32.8 20.96 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 112.888 0.699 . . . . 93.76 112.888 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.42 -38.24 89.32 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 111.848 0.314 . . . . 75.96 111.848 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 56.93 64.49 4.48 Favored Pre-proline 0 C--O 1.238 0.483 0 C-N-CA 124.932 1.293 . . . . 98.31 112.233 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -80.78 148.23 17.56 Favored 'Trans proline' 0 C--N 1.33 -0.415 0 CA-C-N 119.183 0.744 . . . . 79.73 111.756 174.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.4 p -126.62 166.05 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.045 -0.98 . . . . 78.52 108.881 174.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.75 -33.81 56.95 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.894 -0.722 . . . . 81.15 111.392 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -67.36 -41.0 85.84 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.748 -0.381 . . . . 102.96 111.62 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 32.9 p30 -105.66 -2.2 23.66 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.55 0.945 . . . . 75.35 113.55 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.4 83.37 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.63 0.65 . . . . 65.24 111.667 -173.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -62.96 -42.06 99.71 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.164 -1.014 . . . . 70.99 111.0 178.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -64.83 -46.03 83.65 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.095 -0.642 . . . . 94.48 111.04 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -60.8 -46.01 92.19 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.689 -0.404 . . . . 70.12 111.043 179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -63.91 -43.18 96.72 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.832 -0.747 . . . . 50.65 111.576 -174.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.7 p -75.54 -29.8 59.54 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.167 -1.013 . . . . 56.83 111.965 -176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -76.34 -37.07 57.86 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.512 -0.875 . . . . 108.84 111.201 176.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 57.3 mt -61.82 -41.25 89.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-O 120.921 0.391 . . . . 53.08 110.279 172.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.42 -43.45 98.84 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.134 -0.626 . . . . 46.92 111.069 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 49.8 m -61.74 -46.81 88.01 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.66 -0.416 . . . . 60.69 110.822 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.3 t -60.79 -42.47 97.63 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.53 -0.468 . . . . 77.46 111.235 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.71 -52.22 66.62 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.817 -0.353 . . . . 52.47 111.509 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -82.39 -12.71 57.74 Favored 'General case' 0 C--O 1.237 0.442 0 N-CA-C 113.719 1.007 . . . . 56.92 113.719 -169.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -66.97 -20.24 65.86 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 119.005 -1.078 . . . . 79.03 111.855 176.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.45 2.13 55.97 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 112.685 0.624 . . . . 61.61 112.685 173.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 128.88 173.39 13.41 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-O 122.326 0.959 . . . . 54.91 111.736 178.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 16.5 tt -142.77 135.79 26.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 114.299 -0.951 . . . . 49.64 109.307 -178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -148.77 172.28 14.89 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 105.306 -2.109 . . . . 39.54 105.306 168.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' TRP . . . . . . . . . . . . . 34.2 p-90 -65.48 -29.75 70.45 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 118.086 -1.446 . . . . 40.31 111.579 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.49 -44.47 97.54 Favored Glycine 0 C--N 1.343 0.958 0 C-N-CA 119.403 -1.38 . . . . 33.46 112.704 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -61.96 -40.35 95.28 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.962 -0.695 . . . . 40.86 111.029 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.41 -48.9 86.12 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 C-N-CA 119.839 -0.744 . . . . 33.83 110.609 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' B' ' 129' ' ' VAL . 19.8 m -75.1 -26.66 19.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 C-N-CA 118.742 -1.183 . . . . 35.34 111.223 -176.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.67 94.01 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 118.854 -1.139 . . . . 34.1 110.656 170.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.4 -40.29 93.23 Favored 'General case' 0 C--O 1.238 0.467 0 O-C-N 122.125 -0.359 . . . . 37.47 111.527 178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.0 mt -65.65 -42.26 91.63 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.055 -0.658 . . . . 40.34 111.113 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.03 97.16 Favored Glycine 0 C--N 1.336 0.536 0 C-N-CA 119.751 -1.214 . . . . 39.17 111.99 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -62.22 -40.07 94.88 Favored 'General case' 0 C--O 1.235 0.31 0 O-C-N 122.378 -0.483 . . . . 45.46 111.452 175.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.48 -38.26 95.53 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.095 -1.05 . . . . 41.4 112.735 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -57.45 -46.02 84.08 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 119.818 -0.753 . . . . 56.47 110.216 172.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -64.19 -37.43 87.45 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.362 -0.535 . . . . 81.36 111.562 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.4 tt -62.59 -38.03 88.56 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.964 -0.694 . . . . 66.26 110.938 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.49 -47.63 75.38 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 120.739 0.304 . . . . 56.58 111.15 179.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.2 -38.21 88.26 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.315 -0.554 . . . . 79.47 110.981 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 65.0 t-80 -60.98 -44.26 97.63 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.645 -0.422 . . . . 68.95 111.167 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 76.5 t -63.1 -43.86 99.17 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 120.353 -0.539 . . . . 72.77 110.443 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.39 -43.04 99.76 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.376 -0.93 . . . . 89.55 111.21 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -63.58 -33.23 75.15 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 111.594 0.22 . . . . 120.25 111.594 -175.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -99.02 16.85 21.25 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 112.392 0.515 . . . . 98.33 112.392 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 112.203 -0.359 . . . . 102.6 112.203 176.661 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-O 120.865 0.147 . . . . 81.18 112.834 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' SER . . . . . . . . . . . . . 85.0 p -60.2 -32.92 71.55 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.719 -0.393 . . . . 95.78 111.693 177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -83.29 6.16 20.65 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 112.988 0.736 . . . . 75.83 112.988 -178.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 71.3 p -99.18 8.04 45.22 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 113.104 0.779 . . . . 54.45 113.104 -179.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' MET . . . . . . . . . . . . . 18.2 mmt -56.96 -44.61 82.76 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.595 0.634 . . . . 84.96 111.066 -179.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.0 -46.0 94.45 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 119.666 -1.254 . . . . 45.9 111.741 177.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -57.89 -45.93 85.67 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 122.418 -0.46 . . . . 87.28 111.666 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -65.2 -40.81 89.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 C-N-CA 119.538 -0.865 . . . . 45.34 110.546 179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -60.18 -42.46 98.62 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.79 -1.195 . . . . 41.22 112.73 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -65.48 -37.92 88.26 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 120.335 -0.546 . . . . 63.1 111.356 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.82 -37.92 87.55 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.089 -0.644 . . . . 56.47 111.672 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 88.6 mt -71.88 -29.13 64.03 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.841 -0.744 . . . . 39.91 111.433 176.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 121.281 -0.168 . . . . 38.46 111.422 172.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -48.36 88.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 CA-C-O 121.458 0.646 . . . . 47.97 110.397 174.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.21 -45.24 96.87 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 O-C-N 121.96 -0.462 . . . . 35.47 110.624 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.92 -44.06 98.59 Favored Glycine 0 C--N 1.337 0.63 0 C-N-CA 119.919 -1.134 . . . . 34.15 113.291 178.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -64.19 -35.85 82.15 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 122.181 -0.599 . . . . 46.77 111.158 177.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.711 ' OD1' ' O ' ' B' ' 301' ' ' HOH . 38.9 t70 -68.13 -38.74 82.55 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.087 0.47 . . . . 43.18 110.733 176.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.18 -46.16 94.28 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 CA-C-O 121.144 0.497 . . . . 35.33 110.3 178.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -59.94 -44.61 94.26 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 120.722 -0.391 . . . . 36.94 110.666 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.406 ' NH2' ' OD1' ' B' ' 84' ' ' ASP . 57.0 ttp85 -60.39 -44.02 96.09 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.781 -0.367 . . . . 51.3 111.625 -179.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ARG . . . . . . . . . . . . . 86.9 mtt-85 -71.18 -33.73 70.26 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 113.192 0.812 . . . . 64.43 113.192 -175.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -124.29 -12.22 7.36 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 116.653 2.094 . . . . 41.81 116.653 -166.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.62 -51.02 71.62 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 120.056 1.298 . . . . 43.17 111.614 -178.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 73.0 m -66.19 -36.95 84.42 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.064 -1.054 . . . . 60.56 110.911 178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -61.04 -43.61 98.63 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.874 0.369 . . . . 51.34 111.148 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -61.96 -43.6 98.51 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.905 -0.318 . . . . 36.73 111.424 176.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.35 -37.1 84.38 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.487 -0.885 . . . . 57.99 111.317 -179.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 50.5 m -67.05 -42.82 84.15 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.211 -0.996 . . . . 47.22 110.98 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' MET . . . . . . . . . . . . . 81.9 mtp -57.12 -38.5 73.52 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-O 120.849 0.357 . . . . 56.47 111.071 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -74.03 -28.54 61.47 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.208 -0.597 . . . . 55.1 111.938 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -65.22 -33.87 77.01 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.524 -0.87 . . . . 84.13 111.737 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -74.15 -38.13 63.82 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.723 -0.791 . . . . 90.41 110.95 174.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.75 -32.92 64.08 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 111.957 0.354 . . . . 71.43 111.957 -174.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 49.56 65.93 6.33 Favored Pre-proline 0 C--O 1.237 0.439 0 C-N-CA 124.904 1.281 . . . . 101.7 111.917 -178.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -77.52 155.37 31.84 Favored 'Trans proline' 0 C--N 1.329 -0.477 0 CA-C-O 121.992 0.747 . . . . 73.19 111.475 175.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 174.72 9.93 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 114.783 -1.099 . . . . 79.36 108.697 174.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.62 -33.91 72.1 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 119.528 -0.869 . . . . 73.88 110.957 175.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 29.3 mp0 -76.21 -26.9 56.57 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 112.933 0.716 . . . . 91.98 112.933 -173.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ASN . . . . . . . . . . . . . 44.9 p30 -114.37 4.35 15.32 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 113.595 0.961 . . . . 88.15 113.595 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.89 98.38 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 118.688 0.676 . . . . 66.31 111.692 -173.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -67.64 -43.43 80.36 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 119.446 -0.901 . . . . 65.77 111.139 -179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -64.39 -43.68 93.69 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 119.953 -0.699 . . . . 89.77 111.119 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' TYR . . . . . . . . . . . . . 4.8 m-30 -60.17 -47.24 86.76 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.645 -0.422 . . . . 79.15 111.286 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -63.74 -45.51 89.55 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.878 -0.729 . . . . 42.79 111.172 -176.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' THR . . . . . 0.517 ' O ' HG23 ' B' ' 116' ' ' THR . 82.4 p -71.19 -34.11 70.59 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 118.803 -1.159 . . . . 55.38 112.123 -178.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -67.44 -38.78 85.03 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.208 -0.997 . . . . 90.07 111.295 175.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.23 -40.35 86.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 C-N-CA 120.192 -0.603 . . . . 52.42 110.265 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.05 99.66 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 121.908 -0.495 . . . . 46.93 111.954 178.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' THR . . . . . 0.517 HG23 ' O ' ' B' ' 112' ' ' THR . 72.5 p -64.26 -43.75 93.91 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.427 -0.909 . . . . 80.3 111.063 179.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 2.4 t -61.42 -38.76 88.29 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.267 -0.573 . . . . 59.7 111.171 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 17.4 tp -60.93 -54.39 45.64 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.906 -0.318 . . . . 52.31 111.281 178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -81.22 -4.64 56.13 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 113.361 0.875 . . . . 56.72 113.361 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -60.2 -32.03 70.7 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.61 0.641 . . . . 102.21 111.512 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 78.0 p -98.97 8.4 45.05 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.692 0.627 . . . . 76.21 112.692 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 134.23 173.86 13.3 Favored Glycine 0 C--N 1.332 0.353 0 C-N-CA 120.302 -0.951 . . . . 58.4 114.191 176.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ILE . . . . . . . . . . . . . 8.7 tt -146.48 135.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.787 -0.819 . . . . 55.44 108.787 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -149.97 170.7 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.966 -1.865 . . . . 46.76 105.966 169.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -62.73 -28.08 69.71 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 118.854 -1.139 . . . . 45.07 110.948 -174.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.46 -42.67 95.7 Favored Glycine 0 C--N 1.338 0.681 0 C-N-CA 120.018 -1.087 . . . . 37.85 112.418 178.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -64.09 -38.84 92.51 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.929 -0.708 . . . . 51.6 110.744 176.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' VAL . . . . . . . . . . . . . 75.9 t -63.34 -46.3 95.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 C-N-CA 120.162 -0.615 . . . . 33.22 110.551 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' VAL . . . . . 0.512 ' HB ' ' HB ' ' A' ' 129' ' ' VAL . 30.5 m -71.1 -33.23 50.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 118.182 -1.407 . . . . 42.86 110.931 -176.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.6 -43.3 93.76 Favored 'General case' 0 C--N 1.346 0.438 0 O-C-N 121.855 -0.528 . . . . 31.72 111.223 172.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 60.6 tp -64.39 -39.51 94.0 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.24 -0.584 . . . . 33.65 111.328 177.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.42 -44.41 78.86 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.348 -0.541 . . . . 38.78 111.291 -178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' GLY . . . . . . . . . . . . . . . -61.93 -43.35 99.31 Favored Glycine 0 C--N 1.338 0.663 0 C-N-CA 120.39 -0.91 . . . . 32.75 112.722 175.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.62 -44.84 95.86 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 122.196 -0.59 . . . . 51.67 111.357 174.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.72 -35.49 92.1 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 119.861 -1.162 . . . . 37.94 112.574 -179.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -60.82 -46.5 90.31 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.104 -0.638 . . . . 43.65 110.523 174.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -66.35 -34.03 77.07 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.842 -0.743 . . . . 55.32 111.637 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 tt -60.59 -46.13 91.38 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.201 -0.6 . . . . 57.69 110.472 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.54 -47.49 79.3 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.088 0.471 . . . . 46.32 110.827 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' B' ' 144' ' ' GLN . 6.6 mp -62.84 -39.8 95.47 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.981 -0.688 . . . . 59.39 111.767 178.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -63.25 -42.13 99.13 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.195 -0.602 . . . . 59.11 111.008 178.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' VAL . . . . . . . . . . . . . 7.3 t -60.84 -44.02 96.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 120.896 0.379 . . . . 65.42 110.361 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.65 -42.77 93.57 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 119.549 -0.861 . . . . 85.35 110.953 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' B' ' 140' ' ' LEU . 49.9 mm-40 -65.49 -38.98 91.36 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.683 -0.407 . . . . 107.4 111.612 -178.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -62.77 -34.1 76.54 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.433 -0.907 . . . . 118.98 111.232 176.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -66.72 -13.88 61.91 Favored Glycine 0 C--N 1.334 0.462 0 CA-C-O 119.011 -0.883 . . . . 105.09 114.675 177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 118.114 0.957 . . . . 122.66 110.678 179.028 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' K6G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' K6G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' PG4 . . . . . 0.546 ' H82' ' H42' ' B' ' 204' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' PGE . . . . . 0.546 ' H42' ' H82' ' B' ' 203' ' ' PG4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' PGE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . 0.711 ' O ' ' OD1' ' B' ' 84' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud nobuild full ' B' B ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_