data_6otl_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 6otl _Structure_validation_residue.Date_analyzed 2019-06-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 109.061 -0.718 . . . . 97.54 109.061 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.15 142.61 41.44 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.221 -1.4 . . . . 86.03 107.221 172.269 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -121.37 144.53 48.61 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 119.334 -0.946 . . . . 70.17 109.462 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.41 146.82 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 125.082 1.353 . . . . 53.91 108.082 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -93.73 147.29 23.18 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.48 0.657 . . . . 49.91 111.388 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 p -111.7 174.62 5.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.471 -1.241 . . . . 46.16 109.238 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.2 p -53.41 -32.85 51.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.694 -0.685 . . . . 47.36 110.987 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.01 -46.59 61.95 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.379 0.424 . . . . 84.05 110.155 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.69 -47.11 74.08 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.426 0.69 . . . . 59.39 109.842 172.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.58 -40.56 92.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.431 -0.581 . . . . 64.15 109.431 -176.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -60.6 -49.66 76.63 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.051 1.34 . . . . 97.91 109.139 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -60.98 -48.41 81.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.253 -0.43 . . . . 68.97 109.919 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -61.38 -35.4 77.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.243 -0.435 . . . . 48.19 110.094 -176.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -61.04 -41.13 96.0 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.367 -0.975 . . . . 76.5 108.367 178.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -67.45 -47.8 69.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.495 -0.557 . . . . 60.12 109.495 -176.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -41.98 96.04 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.772 0.67 . . . . 63.63 110.638 -178.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -74.66 -34.84 62.8 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 120.606 -0.438 . . . . 57.04 110.623 -175.847 -64.681 -81.896 -86.238 106.268 2.057 106.682 -97.144 180.0 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 -42.88 97.29 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 108.324 -0.991 . . . . 58.54 108.324 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -63.53 -60.53 3.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.226 -0.897 . . . . 71.35 109.871 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 p -65.6 -21.74 66.61 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.172 0.804 . . . . 63.63 113.172 -168.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.5 mt -104.56 -9.7 18.12 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.244 -0.583 . . . . 66.1 111.539 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 58.78 63.59 1.63 Allowed 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.873 0.869 . . . . 71.84 109.886 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 mm -79.24 124.71 84.26 Favored Pre-proline 0 N--CA 1.45 -0.475 0 N-CA-C 107.215 -1.402 . . . . 63.76 107.215 -178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.74 152.47 16.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.365 1.377 . . . . 76.12 110.654 171.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.55 -26.04 64.3 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.807 0.443 . . . . 74.49 111.618 -172.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.66 -28.96 69.96 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.314 -0.554 . . . . 102.43 109.509 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.43 -41.53 39.49 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.574 0.749 . . . . 64.81 111.138 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.21 -44.58 75.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 C-N-CA 124.187 0.995 . . . . 56.13 110.529 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.49 -49.07 78.68 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.735 -0.468 . . . . 84.83 109.735 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -57.95 -46.32 85.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.576 0.547 . . . . 63.45 110.286 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.55 -37.73 88.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.283 0.364 . . . . 48.32 110.353 -176.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -55.92 -30.83 62.25 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.911 -0.404 . . . . 85.03 109.911 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -98.61 7.31 46.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 119.099 -0.477 . . . . 71.61 110.855 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 38.8 m0 60.25 39.53 18.99 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 123.491 0.717 . . . . 51.85 110.662 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -110.66 122.98 49.13 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.203 1.001 . . . . 80.72 108.588 175.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -126.89 99.11 29.59 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 120.479 -0.488 . . . . 44.44 112.097 -168.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -60.1 144.38 99.48 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.943 1.762 . . . . 50.3 111.877 170.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.81 64.14 6.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.67 0.788 . . . . 73.15 111.027 -178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -131.93 175.09 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.744 -0.782 . . . . 64.29 110.749 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -59.62 -42.95 93.83 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.052 0.941 . . . . 67.62 111.29 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -54.04 -52.45 60.82 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 109.839 -0.43 . . . . 48.27 109.839 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 m -66.11 -42.13 89.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.38 0.672 . . . . 53.66 110.462 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.8 mtt -65.11 -38.12 89.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.302 -0.629 . . . . 49.04 109.302 -173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.74 -27.89 61.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.668 -1.213 . . . . 43.3 108.469 178.628 -73.449 -44.591 105.488 108.768 2.131 103.461 -162.523 -67.881 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.1 t80 -63.64 -47.73 80.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.433 -0.907 . . . . 41.19 110.19 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -60.24 -45.85 95.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 N-CA-C 109.482 -0.562 . . . . 38.72 109.482 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -53.83 -50.32 66.45 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.818 0.699 . . . . 40.12 110.524 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.2 t -55.98 -48.79 75.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.644 0.59 . . . . 49.04 110.902 -179.83 180.0 -97.144 -86.238 106.682 2.057 106.268 -81.896 -64.681 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.13 -47.31 93.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 110.318 -0.253 . . . . 41.72 110.318 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -58.85 -39.89 82.64 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 120.785 -0.366 . . . . 39.94 111.589 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -56.39 -49.22 75.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.54 -0.911 . . . . 43.84 108.54 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -67.87 -33.45 74.77 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.19 -0.459 . . . . 53.63 110.829 -172.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.8 mtp -79.89 -9.2 59.65 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.762 -0.459 . . . . 48.04 109.762 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 63.57 38.54 9.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 71.99 110.781 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -99.77 -17.87 17.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.402 -0.363 . . . . 37.78 110.169 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -146.78 137.96 24.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.514 -0.551 . . . . 41.31 109.514 -175.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -124.24 140.58 52.82 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.433 -0.951 . . . . 47.02 108.433 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.18 -21.13 65.8 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 123.475 0.485 . . . . 44.84 112.036 -169.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -100.48 -50.11 4.01 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 120.772 -0.371 . . . . 52.92 111.277 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.53 -17.14 52.45 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.272 -0.394 . . . . 64.35 112.06 -173.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 -156.3 31.07 Favored Glycine 0 C--N 1.345 1.061 0 O-C-N 123.139 0.274 . . . . 39.64 112.742 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.46 141.74 89.71 Favored 'Trans proline' 0 C--N 1.356 0.955 0 CA-C-N 119.455 1.627 . . . . 41.6 108.224 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.9 mt -105.94 102.09 11.55 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.826 -0.805 . . . . 40.96 108.826 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.6 -46.18 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.489 -0.778 . . . . 39.94 111.591 -160.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.25 -49.48 69.42 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.694 -0.484 . . . . 55.05 109.694 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -66.34 -41.48 89.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.681 -0.488 . . . . 39.4 109.681 -175.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.04 -42.8 86.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.108 -0.701 . . . . 40.18 109.108 -179.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.93 -48.47 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.119 0.887 . . . . 42.3 109.011 -176.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -48.66 -41.3 30.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.661 0.601 . . . . 67.05 111.042 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -79.42 -44.28 21.71 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 122.779 0.432 . . . . 42.85 110.724 -171.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.4 mt -85.04 -27.43 26.37 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 119.367 -0.349 . . . . 58.37 111.28 -173.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -50.74 63.51 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.478 -0.564 . . . . 79.36 109.478 -173.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 42.38 55.36 4.08 Favored 'General case' 0 C--N 1.343 0.307 0 O-C-N 124.509 1.13 . . . . 84.68 108.71 -166.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.41 -27.77 3.59 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 114.523 0.569 . . . . 95.29 114.523 172.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -49.3 165.3 0.06 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.864 0.865 . . . . 111.57 109.539 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.2 119.48 12.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.092 0.473 . . . . 108.89 111.083 -173.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.53 -55.88 4.77 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.113 1.365 . . . . 73.48 111.877 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.62 -39.67 94.96 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.076 0.399 . . . . 101.19 112.076 -166.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . . . -67.14 -31.46 71.91 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.316 -0.554 . . . . 59.78 109.905 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.1 t -72.24 -41.91 66.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 108.403 -0.962 . . . . 54.18 108.403 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -57.47 -42.31 82.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.566 0.541 . . . . 80.18 110.044 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -62.26 -39.83 94.21 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.517 1.127 . . . . 57.46 109.477 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.8 -45.84 67.04 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.019 -0.537 . . . . 105.7 109.899 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.98 -45.88 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.417 -0.957 . . . . 53.84 108.417 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.88 -26.46 68.79 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 123.435 0.459 . . . . 51.71 110.734 -174.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -66.72 -15.51 63.58 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 121.211 -0.196 . . . . 76.82 110.567 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.3 m -103.62 -10.56 18.32 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.387 1.075 . . . . 55.78 111.968 -173.49 -75.724 -48.697 -77.143 103.669 2.119 107.158 -89.884 175.266 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.7 t -82.83 142.61 13.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 N-CA-C 107.815 -1.18 . . . . 50.04 107.815 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -159.05 172.55 17.96 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.377 1.471 . . . . 55.57 108.252 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -86.06 168.48 14.05 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.694 -0.484 . . . . 43.3 109.694 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -82.9 72.88 9.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.233 -0.654 . . . . 55.57 109.233 178.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.9 p -66.46 -33.69 76.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.759 -0.655 . . . . 58.32 111.527 -164.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -107.87 19.74 19.68 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.132 -0.627 . . . . 57.19 111.535 -178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.43 42.5 29.33 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.809 0.444 . . . . 45.37 111.22 175.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -138.47 101.48 4.37 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.917 -0.771 . . . . 46.25 108.917 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.62 70.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.364 -0.835 . . . . 38.75 109.995 -169.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 87.2 m -66.23 -44.77 82.82 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 123.42 0.45 . . . . 43.8 109.941 178.538 -67.881 -162.523 105.488 103.461 2.131 108.768 -44.591 -73.449 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -59.34 -43.91 92.71 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.096 0.558 . . . . 46.19 111.122 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.5 t90 -57.41 -54.08 50.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.276 0.63 . . . . 39.17 110.772 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.92 84.96 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 122.449 -0.157 . . . . 37.17 110.74 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -68.19 -34.74 76.84 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 123.613 0.571 . . . . 48.42 110.842 -173.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -62.63 -39.82 95.06 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 110.18 -0.304 . . . . 46.53 110.18 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.09 -44.74 75.8 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.992 -0.443 . . . . 42.91 111.992 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -52.23 -45.98 65.53 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.697 -0.483 . . . . 46.08 109.697 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -62.62 -41.09 98.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.443 0.697 . . . . 72.65 109.771 -177.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 39.4 t -66.98 -46.19 75.37 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.698 -0.683 . . . . 51.58 109.526 -178.132 175.266 -89.884 -77.143 107.158 2.119 103.669 -48.697 -75.724 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -51.77 -44.39 63.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.017 0.527 . . . . 50.55 110.961 173.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -56.47 -54.76 41.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.342 -0.614 . . . . 66.51 109.342 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -53.92 -44.74 70.84 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 123.661 0.601 . . . . 94.49 109.959 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -86.22 15.87 4.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.616 0.367 . . . . 83.98 111.168 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.9 t30 51.46 49.64 20.54 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.906 0.882 . . . . 84.57 111.701 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.29 119.52 38.61 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.406 1.082 . . . . 60.71 109.489 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 m -112.61 132.4 55.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.46 -0.336 . . . . 59.26 110.821 -169.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 97.0 mt -75.24 -39.92 59.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.323 -0.551 . . . . 55.04 109.865 -176.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.03 113.15 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.745 -1.206 . . . . 62.1 107.745 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -122.22 155.69 35.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.792 1.237 . . . . 81.56 108.549 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.37 156.97 38.6 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.619 -0.882 . . . . 61.1 108.619 171.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -142.63 128.08 18.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.334 0.396 . . . . 59.51 110.22 -173.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 92.5 mt -105.43 125.35 60.67 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.834 -0.802 . . . . 62.86 108.834 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . . . -121.25 142.73 49.65 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.578 0.751 . . . . 89.65 110.971 -174.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 117.135 -1.412 . . . . 91.25 109.467 173.214 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' TBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' BEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 109.061 -0.718 . . . . 97.54 109.061 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.15 142.61 41.44 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.221 -1.4 . . . . 86.03 107.221 172.269 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -121.37 144.53 48.61 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 119.334 -0.946 . . . . 70.17 109.462 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.41 146.82 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 125.082 1.353 . . . . 53.91 108.082 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -93.73 147.29 23.18 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.48 0.657 . . . . 49.91 111.388 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 p -111.7 174.62 5.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.471 -1.241 . . . . 46.16 109.238 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.2 p -53.41 -32.85 51.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.694 -0.685 . . . . 47.36 110.987 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.01 -46.59 61.95 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.379 0.424 . . . . 84.05 110.155 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.69 -47.11 74.08 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.426 0.69 . . . . 59.39 109.842 172.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.58 -40.56 92.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.431 -0.581 . . . . 64.15 109.431 -176.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -60.6 -49.66 76.63 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.051 1.34 . . . . 97.91 109.139 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -60.98 -48.41 81.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.253 -0.43 . . . . 68.97 109.919 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -61.38 -35.4 77.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.243 -0.435 . . . . 48.19 110.094 -176.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HG3' ' OH ' ' A' ' 46' ' ' TYR . 13.9 ttm180 -61.04 -41.13 96.0 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.367 -0.975 . . . . 76.5 108.367 178.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -67.45 -47.8 69.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.495 -0.557 . . . . 60.12 109.495 -176.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -41.98 96.04 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.772 0.67 . . . . 63.63 110.638 -178.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -74.66 -34.84 62.8 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 120.606 -0.438 . . . . 57.04 110.623 -175.847 -64.681 -81.896 -86.238 106.268 2.057 106.682 -97.144 180.0 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 -42.88 97.29 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 108.324 -0.991 . . . . 58.54 108.324 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -63.53 -60.53 3.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.226 -0.897 . . . . 71.35 109.871 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 p -65.6 -21.74 66.61 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.172 0.804 . . . . 63.63 113.172 -168.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.5 mt -104.56 -9.7 18.12 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.244 -0.583 . . . . 66.1 111.539 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 58.78 63.59 1.63 Allowed 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.873 0.869 . . . . 71.84 109.886 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 mm -79.24 124.71 84.26 Favored Pre-proline 0 N--CA 1.45 -0.475 0 N-CA-C 107.215 -1.402 . . . . 63.76 107.215 -178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.74 152.47 16.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.365 1.377 . . . . 76.12 110.654 171.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.55 -26.04 64.3 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.807 0.443 . . . . 74.49 111.618 -172.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.66 -28.96 69.96 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.314 -0.554 . . . . 102.43 109.509 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.43 -41.53 39.49 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.574 0.749 . . . . 64.81 111.138 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.21 -44.58 75.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 C-N-CA 124.187 0.995 . . . . 56.13 110.529 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.49 -49.07 78.68 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.735 -0.468 . . . . 84.83 109.735 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -57.95 -46.32 85.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.576 0.547 . . . . 63.45 110.286 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.55 -37.73 88.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.283 0.364 . . . . 48.32 110.353 -176.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -55.92 -30.83 62.25 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.911 -0.404 . . . . 85.03 109.911 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -98.61 7.31 46.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 119.099 -0.477 . . . . 71.61 110.855 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 38.8 m0 60.25 39.53 18.99 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 123.491 0.717 . . . . 51.85 110.662 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -110.66 122.98 49.13 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.203 1.001 . . . . 80.72 108.588 175.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -126.89 99.11 29.59 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 120.479 -0.488 . . . . 44.44 112.097 -168.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -60.1 144.38 99.48 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.943 1.762 . . . . 50.3 111.877 170.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' OE1' ' HE3' ' A' ' 106' ' ' LYS . 3.0 mt-10 -81.81 64.14 6.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.67 0.788 . . . . 73.15 111.027 -178.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -131.93 175.09 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.744 -0.782 . . . . 64.29 110.749 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -59.62 -42.95 93.83 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.052 0.941 . . . . 67.62 111.29 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -54.04 -52.45 60.82 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 109.839 -0.43 . . . . 48.27 109.839 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 m -66.11 -42.13 89.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.38 0.672 . . . . 53.66 110.462 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' MET . . . . . 0.491 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 63.8 mtt -65.11 -38.12 89.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.302 -0.629 . . . . 49.04 109.302 -173.979 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.74 -27.89 61.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.668 -1.213 . . . . 43.3 108.469 178.628 -73.449 -44.591 105.488 108.768 2.131 103.461 -162.523 -67.881 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' HG3' ' A' ' 15' ' ' ARG . 73.1 t80 -63.64 -47.73 80.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.433 -0.907 . . . . 41.19 110.19 175.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -60.24 -45.85 95.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 N-CA-C 109.482 -0.562 . . . . 38.72 109.482 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -53.83 -50.32 66.45 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.818 0.699 . . . . 40.12 110.524 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.2 t -55.98 -48.79 75.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.644 0.59 . . . . 49.04 110.902 -179.83 180.0 -97.144 -86.238 106.682 2.057 106.268 -81.896 -64.681 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.13 -47.31 93.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 110.318 -0.253 . . . . 41.72 110.318 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -58.85 -39.89 82.64 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 120.785 -0.366 . . . . 39.94 111.589 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -56.39 -49.22 75.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.54 -0.911 . . . . 43.84 108.54 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -67.87 -33.45 74.77 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.19 -0.459 . . . . 53.63 110.829 -172.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.8 mtp -79.89 -9.2 59.65 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.762 -0.459 . . . . 48.04 109.762 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 63.57 38.54 9.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 71.99 110.781 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -99.77 -17.87 17.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.402 -0.363 . . . . 37.78 110.169 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -146.78 137.96 24.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.514 -0.551 . . . . 41.31 109.514 -175.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -124.24 140.58 52.82 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.433 -0.951 . . . . 47.02 108.433 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.18 -21.13 65.8 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 123.475 0.485 . . . . 44.84 112.036 -169.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -100.48 -50.11 4.01 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 120.772 -0.371 . . . . 52.92 111.277 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.53 -17.14 52.45 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.272 -0.394 . . . . 64.35 112.06 -173.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 -156.3 31.07 Favored Glycine 0 C--N 1.345 1.061 0 O-C-N 123.139 0.274 . . . . 39.64 112.742 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.46 141.74 89.71 Favored 'Trans proline' 0 C--N 1.356 0.955 0 CA-C-N 119.455 1.627 . . . . 41.6 108.224 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.9 mt -105.94 102.09 11.55 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.826 -0.805 . . . . 40.96 108.826 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.6 -46.18 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.489 -0.778 . . . . 39.94 111.591 -160.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.25 -49.48 69.42 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.694 -0.484 . . . . 55.05 109.694 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -66.34 -41.48 89.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.681 -0.488 . . . . 39.4 109.681 -175.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.04 -42.8 86.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.108 -0.701 . . . . 40.18 109.108 -179.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.93 -48.47 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.119 0.887 . . . . 42.3 109.011 -176.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -48.66 -41.3 30.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.661 0.601 . . . . 67.05 111.042 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -79.42 -44.28 21.71 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 122.779 0.432 . . . . 42.85 110.724 -171.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . 0.928 HD21 HD23 ' A' ' 115' ' ' LEU . 51.4 mt -85.04 -27.43 26.37 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 119.367 -0.349 . . . . 58.37 111.28 -173.541 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -50.74 63.51 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.478 -0.564 . . . . 79.36 109.478 -173.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 42.38 55.36 4.08 Favored 'General case' 0 C--N 1.343 0.307 0 O-C-N 124.509 1.13 . . . . 84.68 108.71 -166.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.41 -27.77 3.59 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 114.523 0.569 . . . . 95.29 114.523 172.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -49.3 165.3 0.06 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.864 0.865 . . . . 111.57 109.539 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.2 119.48 12.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.092 0.473 . . . . 108.89 111.083 -173.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.53 -55.88 4.77 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.113 1.365 . . . . 73.48 111.877 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.62 -39.67 94.96 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.076 0.399 . . . . 101.19 112.076 -166.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . . . -67.14 -31.46 71.91 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.316 -0.554 . . . . 59.78 109.905 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.1 t -72.24 -41.91 66.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 108.403 -0.962 . . . . 54.18 108.403 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -57.47 -42.31 82.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.566 0.541 . . . . 80.18 110.044 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -62.26 -39.83 94.21 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.517 1.127 . . . . 57.46 109.477 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.8 -45.84 67.04 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.019 -0.537 . . . . 105.7 109.899 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.98 -45.88 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.417 -0.957 . . . . 53.84 108.417 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.88 -26.46 68.79 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 123.435 0.459 . . . . 51.71 110.734 -174.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -66.72 -15.51 63.58 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 121.211 -0.196 . . . . 76.82 110.567 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.3 m -103.62 -10.56 18.32 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.387 1.075 . . . . 55.78 111.968 -173.49 -75.724 -48.697 -77.143 103.669 2.119 107.158 -89.884 175.266 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.7 t -82.83 142.61 13.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 N-CA-C 107.815 -1.18 . . . . 50.04 107.815 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -159.05 172.55 17.96 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.377 1.471 . . . . 55.57 108.252 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -86.06 168.48 14.05 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.694 -0.484 . . . . 43.3 109.694 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 49.2 t30 -82.9 72.88 9.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.233 -0.654 . . . . 55.57 109.233 178.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.9 p -66.46 -33.69 76.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.759 -0.655 . . . . 58.32 111.527 -164.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -107.87 19.74 19.68 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.132 -0.627 . . . . 57.19 111.535 -178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.43 42.5 29.33 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.809 0.444 . . . . 45.37 111.22 175.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -138.47 101.48 4.37 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.917 -0.771 . . . . 46.25 108.917 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.62 70.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.364 -0.835 . . . . 38.75 109.995 -169.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 87.2 m -66.23 -44.77 82.82 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 123.42 0.45 . . . . 43.8 109.941 178.538 -67.881 -162.523 105.488 103.461 2.131 108.768 -44.591 -73.449 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -59.34 -43.91 92.71 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.096 0.558 . . . . 46.19 111.122 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 6.5 t90 -57.41 -54.08 50.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.276 0.63 . . . . 39.17 110.772 -179.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.92 84.96 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 122.449 -0.157 . . . . 37.17 110.74 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' PHE . . . . . 0.491 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 36.3 t80 -68.19 -34.74 76.84 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 123.613 0.571 . . . . 48.42 110.842 -173.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -62.63 -39.82 95.06 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 110.18 -0.304 . . . . 46.53 110.18 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.09 -44.74 75.8 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.992 -0.443 . . . . 42.91 111.992 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -52.23 -45.98 65.53 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.697 -0.483 . . . . 46.08 109.697 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HE3' ' OE1' ' A' ' 39' ' ' GLU . 18.8 tttt -62.62 -41.09 98.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.443 0.697 . . . . 72.65 109.771 -177.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 39.4 t -66.98 -46.19 75.37 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.698 -0.683 . . . . 51.58 109.526 -178.132 175.266 -89.884 -77.143 107.158 2.119 103.669 -48.697 -75.724 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -51.77 -44.39 63.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.017 0.527 . . . . 50.55 110.961 173.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -56.47 -54.76 41.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.342 -0.614 . . . . 66.51 109.342 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -53.92 -44.74 70.84 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 123.661 0.601 . . . . 94.49 109.959 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -86.22 15.87 4.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.616 0.367 . . . . 83.98 111.168 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.9 t30 51.46 49.64 20.54 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.906 0.882 . . . . 84.57 111.701 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.29 119.52 38.61 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.406 1.082 . . . . 60.71 109.489 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 m -112.61 132.4 55.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.46 -0.336 . . . . 59.26 110.821 -169.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . 0.928 HD23 HD21 ' A' ' 72' ' ' LEU . 97.0 mt -75.24 -39.92 59.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.323 -0.551 . . . . 55.04 109.865 -176.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.03 113.15 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.745 -1.206 . . . . 62.1 107.745 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -122.22 155.69 35.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.792 1.237 . . . . 81.56 108.549 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.37 156.97 38.6 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.619 -0.882 . . . . 61.1 108.619 171.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -142.63 128.08 18.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.334 0.396 . . . . 59.51 110.22 -173.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 92.5 mt -105.43 125.35 60.67 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.834 -0.802 . . . . 62.86 108.834 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . . . -121.25 142.73 49.65 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.578 0.751 . . . . 89.65 110.971 -174.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 117.135 -1.412 . . . . 91.25 109.467 173.214 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' TBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' BEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.938 0 N-CA-C 109.061 -0.718 . . . . 97.54 109.061 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -110.15 142.61 41.44 Favored 'General case' 0 C--N 1.341 0.232 0 N-CA-C 107.221 -1.4 . . . . 86.03 107.221 172.269 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.0 p -121.37 144.53 48.61 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 119.334 -0.946 . . . . 70.17 109.462 175.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.1 t -63.41 146.82 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 C-N-CA 125.082 1.353 . . . . 53.91 108.082 179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 m -93.73 147.29 23.18 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.48 0.657 . . . . 49.91 111.388 177.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 p -111.7 174.62 5.79 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.471 -1.241 . . . . 46.16 109.238 175.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 37.2 p -53.41 -32.85 51.53 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.694 -0.685 . . . . 47.36 110.987 175.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -71.01 -46.59 61.95 Favored 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.379 0.424 . . . . 84.05 110.155 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.1 m-20 -54.69 -47.11 74.08 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.426 0.69 . . . . 59.39 109.842 172.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.58 -40.56 92.15 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 109.431 -0.581 . . . . 64.15 109.431 -176.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.0 tm0? -60.6 -49.66 76.63 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.051 1.34 . . . . 97.91 109.139 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.6 ttp-105 -60.98 -48.41 81.95 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.253 -0.43 . . . . 68.97 109.919 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -61.38 -35.4 77.38 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.243 -0.435 . . . . 48.19 110.094 -176.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.437 ' HG3' ' OH ' ' A' ' 46' ' ' TYR . 13.9 ttm180 -61.04 -41.13 96.0 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.367 -0.975 . . . . 76.5 108.367 178.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 m -67.45 -47.8 69.07 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.495 -0.557 . . . . 60.12 109.495 -176.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -60.64 -41.98 96.04 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.772 0.67 . . . . 63.63 110.638 -178.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 88.2 m -74.66 -34.84 62.8 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 120.606 -0.438 . . . . 57.04 110.623 -175.847 -64.681 -81.896 -86.238 106.268 2.057 106.682 -97.144 180.0 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 -42.88 97.29 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 N-CA-C 108.324 -0.991 . . . . 58.54 108.324 -178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -63.53 -60.53 3.22 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.226 -0.897 . . . . 71.35 109.871 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 p -65.6 -21.74 66.61 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.172 0.804 . . . . 63.63 113.172 -168.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.5 mt -104.56 -9.7 18.12 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 120.244 -0.583 . . . . 66.1 111.539 -178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 58.78 63.59 1.63 Allowed 'General case' 0 C--N 1.344 0.338 0 C-N-CA 123.873 0.869 . . . . 71.84 109.886 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 39.1 mm -79.24 124.71 84.26 Favored Pre-proline 0 N--CA 1.45 -0.475 0 N-CA-C 107.215 -1.402 . . . . 63.76 107.215 -178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -52.74 152.47 16.91 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 121.365 1.377 . . . . 76.12 110.654 171.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.55 -26.04 64.3 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 122.807 0.443 . . . . 74.49 111.618 -172.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -64.66 -28.96 69.96 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 120.314 -0.554 . . . . 102.43 109.509 -179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -77.43 -41.53 39.49 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.574 0.749 . . . . 64.81 111.138 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.9 t -55.21 -44.58 75.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.307 0 C-N-CA 124.187 0.995 . . . . 56.13 110.529 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -58.49 -49.07 78.68 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.735 -0.468 . . . . 84.83 109.735 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -57.95 -46.32 85.26 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.576 0.547 . . . . 63.45 110.286 178.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -64.55 -37.73 88.56 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 123.283 0.364 . . . . 48.32 110.353 -176.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -55.92 -30.83 62.25 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.911 -0.404 . . . . 85.03 109.911 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -98.61 7.31 46.28 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-O 119.099 -0.477 . . . . 71.61 110.855 -174.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 38.8 m0 60.25 39.53 18.99 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 123.491 0.717 . . . . 51.85 110.662 -179.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -110.66 122.98 49.13 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.203 1.001 . . . . 80.72 108.588 175.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -126.89 99.11 29.59 Favored Pre-proline 0 N--CA 1.454 -0.228 0 C-N-CA 120.479 -0.488 . . . . 44.44 112.097 -168.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -60.1 144.38 99.48 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 121.943 1.762 . . . . 50.3 111.877 170.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.527 ' OE1' ' HE3' ' A' ' 106' ' ' LYS . 3.0 mt-10 -81.81 64.14 6.38 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 123.67 0.788 . . . . 73.15 111.027 -178.588 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 p30 -131.93 175.09 9.51 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 119.744 -0.782 . . . . 64.29 110.749 175.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -59.62 -42.95 93.83 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.052 0.941 . . . . 67.62 111.29 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.2 m -54.04 -52.45 60.82 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 109.839 -0.43 . . . . 48.27 109.839 178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 45.4 m -66.11 -42.13 89.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.38 0.672 . . . . 53.66 110.462 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' MET . . . . . 0.491 ' HG2' ' CG ' ' A' ' 102' ' ' PHE . 63.8 mtt -65.11 -38.12 89.66 Favored 'General case' 0 N--CA 1.449 -0.5 0 N-CA-C 109.302 -0.629 . . . . 49.04 109.302 -173.979 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.2 m -73.74 -27.89 61.41 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 118.668 -1.213 . . . . 43.3 108.469 178.628 -73.449 -44.591 105.488 108.768 2.131 103.461 -162.523 -67.881 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' OH ' ' HG3' ' A' ' 15' ' ' ARG . 73.1 t80 -63.64 -47.73 80.15 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.433 -0.907 . . . . 41.19 110.19 175.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.7 mm -60.24 -45.85 95.57 Favored 'Isoleucine or valine' 0 C--O 1.241 0.631 0 N-CA-C 109.482 -0.562 . . . . 38.72 109.482 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -53.83 -50.32 66.45 Favored 'General case' 0 C--N 1.345 0.39 0 O-C-N 123.818 0.699 . . . . 40.12 110.524 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.2 t -55.98 -48.79 75.18 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.644 0.59 . . . . 49.04 110.902 -179.83 180.0 -97.144 -86.238 106.682 2.057 106.268 -81.896 -64.681 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.0 t -63.13 -47.31 93.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.331 0 N-CA-C 110.318 -0.253 . . . . 41.72 110.318 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -58.85 -39.89 82.64 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 120.785 -0.366 . . . . 39.94 111.589 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -56.39 -49.22 75.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.54 -0.911 . . . . 43.84 108.54 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -67.87 -33.45 74.77 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-N 116.19 -0.459 . . . . 53.63 110.829 -172.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 98.8 mtp -79.89 -9.2 59.65 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.762 -0.459 . . . . 48.04 109.762 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 63.57 38.54 9.59 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.053 0.941 . . . . 71.99 110.781 -175.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -99.77 -17.87 17.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.402 -0.363 . . . . 37.78 110.169 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -146.78 137.96 24.16 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.514 -0.551 . . . . 41.31 109.514 -175.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -124.24 140.58 52.82 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 108.433 -0.951 . . . . 47.02 108.433 176.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -67.18 -21.13 65.8 Favored 'General case' 0 C--N 1.341 0.228 0 O-C-N 123.475 0.485 . . . . 44.84 112.036 -169.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.2 m -100.48 -50.11 4.01 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 120.772 -0.371 . . . . 52.92 111.277 177.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -80.53 -17.14 52.45 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 119.272 -0.394 . . . . 64.35 112.06 -173.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.95 -156.3 31.07 Favored Glycine 0 C--N 1.345 1.061 0 O-C-N 123.139 0.274 . . . . 39.64 112.742 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -56.46 141.74 89.71 Favored 'Trans proline' 0 C--N 1.356 0.955 0 CA-C-N 119.455 1.627 . . . . 41.6 108.224 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 84.9 mt -105.94 102.09 11.55 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 108.826 -0.805 . . . . 40.96 108.826 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.6 -46.18 76.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 115.489 -0.778 . . . . 39.94 111.591 -160.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.25 -49.48 69.42 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.694 -0.484 . . . . 55.05 109.694 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -66.34 -41.48 89.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 109.681 -0.488 . . . . 39.4 109.681 -175.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.8 mt -58.04 -42.8 86.17 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.108 -0.701 . . . . 40.18 109.108 -179.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.5 t -65.93 -48.47 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 O-C-N 124.119 0.887 . . . . 42.3 109.011 -176.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -48.66 -41.3 30.96 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 123.661 0.601 . . . . 67.05 111.042 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -79.42 -44.28 21.71 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 122.779 0.432 . . . . 42.85 110.724 -171.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.928 HD21 HD23 ' A' ' 115' ' ' LEU . 51.4 mt -85.04 -27.43 26.37 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 119.367 -0.349 . . . . 58.37 111.28 -173.541 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -50.74 63.51 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 109.478 -0.564 . . . . 79.36 109.478 -173.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 42.38 55.36 4.08 Favored 'General case' 0 C--N 1.343 0.307 0 O-C-N 124.509 1.13 . . . . 84.68 108.71 -166.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.41 -27.77 3.59 Favored Glycine 0 CA--C 1.532 1.154 0 N-CA-C 114.523 0.569 . . . . 95.29 114.523 172.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -49.3 165.3 0.06 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.864 0.865 . . . . 111.57 109.539 171.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -67.2 119.48 12.17 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.092 0.473 . . . . 108.89 111.083 -173.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -44.53 -55.88 4.77 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 125.113 1.365 . . . . 73.48 111.877 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -63.62 -39.67 94.96 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.076 0.399 . . . . 101.19 112.076 -166.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . . . -67.14 -31.46 71.91 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 120.316 -0.554 . . . . 59.78 109.905 177.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 87.1 t -72.24 -41.91 66.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 108.403 -0.962 . . . . 54.18 108.403 179.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -57.47 -42.31 82.35 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 123.566 0.541 . . . . 80.18 110.044 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 3.2 m -62.26 -39.83 94.21 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.517 1.127 . . . . 57.46 109.477 -179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -69.8 -45.84 67.04 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.019 -0.537 . . . . 105.7 109.899 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.98 -45.88 97.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 108.417 -0.957 . . . . 53.84 108.417 -176.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.4 mt -62.88 -26.46 68.79 Favored 'General case' 0 C--O 1.222 -0.393 0 O-C-N 123.435 0.459 . . . . 51.71 110.734 -174.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -66.72 -15.51 63.58 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 121.211 -0.196 . . . . 76.82 110.567 177.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 54.3 m -103.62 -10.56 18.32 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.387 1.075 . . . . 55.78 111.968 -173.49 -75.724 -48.697 -77.143 103.669 2.119 107.158 -89.884 175.266 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.7 t -82.83 142.61 13.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 N-CA-C 107.815 -1.18 . . . . 50.04 107.815 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.3 p-10 -159.05 172.55 17.96 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.377 1.471 . . . . 55.57 108.252 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . . . -86.06 168.48 14.05 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 109.694 -0.484 . . . . 43.3 109.694 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.499 ' HB2' ' CE3' ' A' ' 100' ' ' TRP . 49.2 t30 -82.9 72.88 9.97 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 109.233 -0.654 . . . . 55.57 109.233 178.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 39.9 p -66.46 -33.69 76.27 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 115.759 -0.655 . . . . 58.32 111.527 -164.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -107.87 19.74 19.68 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.132 -0.627 . . . . 57.19 111.535 -178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 51.43 42.5 29.33 Favored 'General case' 0 CA--C 1.528 0.121 0 C-N-CA 122.809 0.444 . . . . 45.37 111.22 175.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -138.47 101.48 4.37 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 108.917 -0.771 . . . . 46.25 108.917 179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.72 -29.62 70.8 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.364 -0.835 . . . . 38.75 109.995 -169.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 87.2 m -66.23 -44.77 82.82 Favored 'General case' 0 C--N 1.343 0.318 0 O-C-N 123.42 0.45 . . . . 43.8 109.941 178.538 -67.881 -162.523 105.488 103.461 2.131 108.768 -44.591 -73.449 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -59.34 -43.91 92.71 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.096 0.558 . . . . 46.19 111.122 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.499 ' CE3' ' HB2' ' A' ' 92' ' ' ASN . 6.5 t90 -57.41 -54.08 50.83 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.276 0.63 . . . . 39.17 110.772 -179.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.68 -45.92 84.96 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 122.449 -0.157 . . . . 37.17 110.74 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.491 ' CG ' ' HG2' ' A' ' 44' ' ' MET . 36.3 t80 -68.19 -34.74 76.84 Favored 'General case' 0 C--O 1.224 -0.252 0 O-C-N 123.613 0.571 . . . . 48.42 110.842 -173.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.0 ttp-105 -62.63 -39.82 95.06 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 110.18 -0.304 . . . . 46.53 110.18 178.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.09 -44.74 75.8 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.992 -0.443 . . . . 42.91 111.992 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -52.23 -45.98 65.53 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.697 -0.483 . . . . 46.08 109.697 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HE3' ' OE1' ' A' ' 39' ' ' GLU . 18.8 tttt -62.62 -41.09 98.8 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.443 0.697 . . . . 72.65 109.771 -177.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 39.4 t -66.98 -46.19 75.37 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.698 -0.683 . . . . 51.58 109.526 -178.132 175.266 -89.884 -77.143 107.158 2.119 103.669 -48.697 -75.724 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -51.77 -44.39 63.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.017 0.527 . . . . 50.55 110.961 173.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -56.47 -54.76 41.96 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.342 -0.614 . . . . 66.51 109.342 177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -53.92 -44.74 70.84 Favored 'General case' 0 C--O 1.222 -0.377 0 O-C-N 123.661 0.601 . . . . 94.49 109.959 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -86.22 15.87 4.85 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.616 0.367 . . . . 83.98 111.168 -174.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASN . . . . . . . . . . . . . 31.9 t30 51.46 49.64 20.54 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.906 0.882 . . . . 84.57 111.701 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 77.3 mt -112.29 119.52 38.61 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.406 1.082 . . . . 60.71 109.489 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.2 m -112.61 132.4 55.16 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.46 -0.336 . . . . 59.26 110.821 -169.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.928 HD23 HD21 ' A' ' 72' ' ' LEU . 97.0 mt -75.24 -39.92 59.46 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 120.323 -0.551 . . . . 55.04 109.865 -176.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 28.3 mm -116.03 113.15 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 107.745 -1.206 . . . . 62.1 107.745 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -122.22 155.69 35.32 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.792 1.237 . . . . 81.56 108.549 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.37 156.97 38.6 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 108.619 -0.882 . . . . 61.1 108.619 171.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.2 t -142.63 128.08 18.96 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 123.334 0.396 . . . . 59.51 110.22 -173.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 92.5 mt -105.43 125.35 60.67 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.834 -0.802 . . . . 62.86 108.834 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . . . -121.25 142.73 49.65 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.578 0.751 . . . . 89.65 110.971 -174.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 117.135 -1.412 . . . . 91.25 109.467 173.214 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' TBR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' BEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' PO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_