data_6mpw_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 6mpw _Structure_validation_residue.Date_analyzed 2019-03-29 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 ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.838 0.352 . . . . 140.33 110.738 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -84.9 -27.97 26.28 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.505 0.557 . . . . 131.59 112.505 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.2 mt -63.91 -39.37 94.02 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.261 -0.576 . . . . 124.54 111.072 177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -68.34 -37.33 80.42 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.292 -0.563 . . . . 103.16 111.348 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -59.05 -43.56 91.7 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 120.584 -0.446 . . . . 123.16 110.98 172.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.09 -39.91 87.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.896 -0.322 . . . . 89.84 110.493 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.03 -43.55 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.881 -0.512 . . . . 93.86 110.503 178.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.99 -45.51 92.48 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.868 -0.52 . . . . 91.2 111.102 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.07 -42.87 93.78 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.227 -0.589 . . . . 81.58 111.396 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 mt -65.36 -34.96 79.56 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.342 -0.543 . . . . 78.38 111.701 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -68.23 -39.97 82.17 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.163 -0.615 . . . . 99.96 110.931 177.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.5 -35.92 82.06 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.286 -0.565 . . . . 72.63 111.016 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.75 -42.05 91.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.027 0.441 . . . . 74.2 110.632 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.57 -43.2 94.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 121.917 -0.489 . . . . 74.04 110.332 176.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.11 -40.96 97.34 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.565 -0.454 . . . . 73.22 111.485 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.11 -40.28 86.85 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.308 -0.557 . . . . 71.43 111.47 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.08 -36.36 82.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 74.14 111.11 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.93 -38.72 92.16 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.424 -0.51 . . . . 85.24 110.965 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.2 99.36 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.411 -0.516 . . . . 79.65 111.037 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.64 -41.19 91.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 121.038 0.447 . . . . 89.83 110.614 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.06 -45.87 97.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 O-C-N 121.868 -0.52 . . . . 106.06 110.475 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.36 -27.21 66.92 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 121.961 -0.462 . . . . 112.54 111.677 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 tt -73.89 -41.03 62.75 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.838 -0.345 . . . . 110.51 111.069 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -77.53 -30.89 53.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.551 0.575 . . . . 119.07 112.551 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.35 -48.94 47.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.116 0.416 . . . . 148.12 111.435 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.27 -60.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 O-C-N 122.091 -0.381 . . . . 135.01 113.848 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.551 0 O-C-N 117.892 -3.123 . . . . 111.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 152.8 110.487 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.1 m -69.33 -42.86 74.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.121 -0.491 . . . . 133.17 111.54 -176.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.54 -36.57 83.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.419 -0.512 . . . . 124.23 111.267 179.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . -60.98 -43.4 98.87 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.506 -0.478 . . . . 115.43 110.943 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -64.17 -37.8 88.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.214 0.531 . . . . 115.52 111.129 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 44.2 mm -61.11 -48.68 87.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.258 0.552 . . . . 95.76 110.22 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.94 -43.22 97.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 120.874 0.368 . . . . 86.93 110.554 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -67.14 -39.56 86.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.033 -0.667 . . . . 93.76 111.501 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.22 -38.64 85.6 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.001 -0.679 . . . . 83.93 111.228 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.57 -34.04 77.02 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.615 -0.834 . . . . 75.83 111.545 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -65.88 -41.27 91.76 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.366 -0.534 . . . . 98.83 111.082 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.74 -36.38 82.84 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.283 -0.567 . . . . 81.8 111.095 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.83 -41.68 92.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.918 0.39 . . . . 73.4 110.506 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.48 -45.38 93.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.623 -0.431 . . . . 73.15 110.346 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.46 -43.38 98.96 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 122.076 -0.39 . . . . 82.24 111.445 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.65 -38.54 87.06 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.765 -0.374 . . . . 83.32 111.471 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.29 -35.1 77.35 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.901 -0.72 . . . . 76.5 110.985 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.49 -45.57 91.32 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.618 -0.433 . . . . 90.77 110.878 172.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.49 95.7 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.524 -0.47 . . . . 94.4 111.225 177.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.65 -44.17 98.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.856 0.36 . . . . 88.06 110.554 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.4 -43.56 96.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.225 0.536 . . . . 100.22 110.458 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -57.45 -42.8 83.2 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.546 -0.862 . . . . 112.29 111.456 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -72.48 -32.61 66.36 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.279 -0.568 . . . . 116.88 111.633 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 mt -69.37 -40.73 77.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.509 -0.476 . . . . 120.96 111.31 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.444 . . . . 149.93 111.021 176.596 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 46.9 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.577 0.227 . . . . 139.07 110.534 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -60.67 -39.88 90.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.105 -0.498 . . . . 143.67 111.449 -177.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.89 -35.25 79.6 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.043 -0.663 . . . . 127.66 111.104 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . . . -66.28 -39.69 89.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.083 -0.647 . . . . 101.75 111.076 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -57.33 -45.54 84.18 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.925 0.393 . . . . 116.85 110.821 172.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 33.5 mm -59.71 -45.43 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.045 0.45 . . . . 99.08 110.426 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.2 -42.88 98.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.736 -0.386 . . . . 88.31 110.58 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.28 -42.83 87.86 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 120.195 -0.602 . . . . 98.55 111.431 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.9 -39.46 93.56 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.982 -0.687 . . . . 85.68 111.27 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.63 -34.7 78.83 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.288 -0.565 . . . . 74.78 111.609 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.15 -41.46 90.39 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.216 -0.594 . . . . 87.52 111.015 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.57 -41.55 90.45 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.289 -0.564 . . . . 75.27 111.066 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.16 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 120.888 0.375 . . . . 70.84 110.56 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.07 -44.43 98.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 O-C-N 121.905 -0.497 . . . . 71.93 110.427 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.3 -45.16 94.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.944 0.402 . . . . 86.07 111.148 178.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.07 -37.88 86.93 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.566 -0.454 . . . . 72.48 111.526 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.65 -37.22 79.49 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.136 -0.626 . . . . 81.09 111.214 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.84 -45.82 91.22 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.458 -0.497 . . . . 92.47 110.688 172.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.2 84.12 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.742 -0.383 . . . . 90.48 111.26 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.61 -41.91 91.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 120.614 -0.434 . . . . 84.73 110.746 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -58.72 -42.48 85.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.037 0.446 . . . . 89.8 110.369 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -80.93 -18.96 45.34 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.582 -0.847 . . . . 111.78 113.064 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 mt -75.47 -32.95 60.78 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.343 0.519 . . . . 105.18 111.661 172.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.71 -44.5 90.04 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.238 -0.585 . . . . 117.43 111.155 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.33 -0.281 0 O-C-N 122.064 -0.398 . . . . 130.46 110.633 177.676 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.715 0.293 . . . . 146.44 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -108.68 -2.9 18.32 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.154 0.798 . . . . 116.1 113.154 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.71 -36.49 76.64 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.356 -0.538 . . . . 110.5 110.927 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . . . -64.48 -42.81 95.67 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.781 -0.368 . . . . 93.74 111.155 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -64.22 -38.42 90.99 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.271 -0.572 . . . . 119.95 111.253 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.6 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 120.521 -0.471 . . . . 86.91 110.399 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.32 -41.07 90.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 121.914 -0.491 . . . . 98.59 110.779 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.24 -44.53 95.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.866 -0.521 . . . . 83.06 111.308 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.3 -35.94 71.47 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.2 -0.6 . . . . 74.64 111.412 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.85 -37.72 88.45 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.931 -0.708 . . . . 77.23 111.099 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.74 -45.1 94.28 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.775 0.321 . . . . 92.29 110.886 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.7 -39.76 81.69 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.505 -0.478 . . . . 78.61 111.163 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.2 -39.95 84.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.786 0.327 . . . . 69.16 110.667 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.37 -43.21 96.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.819 -0.55 . . . . 68.0 110.358 175.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.41 -43.51 98.64 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.231 -0.588 . . . . 70.62 111.402 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.29 -37.79 83.96 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.569 -0.453 . . . . 69.12 111.371 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -68.54 -37.82 80.28 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.017 -0.673 . . . . 71.2 111.186 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.11 -37.82 88.69 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 119.964 -0.694 . . . . 78.31 110.908 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.0 97.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.494 -0.482 . . . . 84.3 111.158 174.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.11 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.99 0.424 . . . . 84.88 110.469 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.73 -44.65 97.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.962 0.41 . . . . 87.64 110.437 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.26 -32.73 72.11 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.898 -0.721 . . . . 105.36 111.887 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.37 -38.9 81.83 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.348 -0.541 . . . . 104.35 111.167 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 77.9 mt -71.91 -37.21 70.13 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.423 -0.511 . . . . 125.02 111.25 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 . . . . . 0 C--N 1.33 -0.277 0 O-C-N 122.168 -0.332 . . . . 125.79 111.163 178.971 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.882 0.372 . . . . 139.95 111.131 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -62.6 -39.5 93.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.893 -0.594 . . . . 119.91 111.037 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.76 -43.31 99.14 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 120.501 -0.479 . . . . 109.94 111.185 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.36 -41.84 98.85 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.51 -0.476 . . . . 108.79 111.173 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -67.5 -34.65 77.57 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.809 -0.756 . . . . 108.47 111.776 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mt -63.1 -43.88 99.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.074 0.464 . . . . 82.65 110.311 175.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.07 -41.54 93.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.627 -0.429 . . . . 87.96 110.48 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -62.38 -43.84 97.87 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 121.971 -0.455 . . . . 85.51 111.286 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.35 -38.42 84.78 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.587 -0.445 . . . . 74.9 111.496 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.77 -34.97 79.01 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.482 -0.887 . . . . 74.68 111.415 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -63.33 -43.09 98.76 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.595 -0.442 . . . . 104.05 110.808 173.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.95 -38.53 82.69 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.776 -0.369 . . . . 90.74 111.248 174.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.13 -41.12 88.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.884 0.373 . . . . 68.24 110.431 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.5 -42.82 95.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 120.519 -0.472 . . . . 75.2 110.422 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.67 -43.06 99.78 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.177 -0.609 . . . . 79.35 111.368 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.61 -35.8 81.05 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.598 -0.441 . . . . 70.8 111.757 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.54 -35.52 77.56 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.116 -0.634 . . . . 73.15 111.092 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.06 -40.17 96.91 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.223 -0.591 . . . . 77.59 110.84 172.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.45 95.98 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.511 -0.475 . . . . 80.7 111.22 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.66 -45.36 97.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.128 0.489 . . . . 79.59 110.45 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.41 -38.34 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.014 -0.429 . . . . 88.38 110.457 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.52 -43.27 85.7 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.914 -0.491 . . . . 118.04 111.37 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.5 -29.25 69.31 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.49 -0.484 . . . . 99.64 111.66 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 49.9 mt -81.1 -27.37 35.62 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.412 -0.515 . . . . 98.79 112.243 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 118.149 0.431 . . . . 130.5 111.352 178.025 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.838 0.352 . . . . 140.33 110.738 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -84.9 -27.97 26.28 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.505 0.557 . . . . 131.59 112.505 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 7' ' ' VAL . 56.2 mt -63.91 -39.37 94.02 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.261 -0.576 . . . . 124.54 111.072 177.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -68.34 -37.33 80.42 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.292 -0.563 . . . . 103.16 111.348 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -59.05 -43.56 91.7 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 120.584 -0.446 . . . . 123.16 110.98 172.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.09 -39.91 87.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.896 -0.322 . . . . 89.84 110.493 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 3' ' ' LEU . 95.7 t -64.03 -43.55 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.881 -0.512 . . . . 93.86 110.503 178.444 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.99 -45.51 92.48 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.868 -0.52 . . . . 91.2 111.102 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.07 -42.87 93.78 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.227 -0.589 . . . . 81.58 111.396 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 mt -65.36 -34.96 79.56 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.342 -0.543 . . . . 78.38 111.701 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' ' H32' ' A' ' 102' ' ' C8E . 11.0 t80 -68.23 -39.97 82.17 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.163 -0.615 . . . . 99.96 110.931 177.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.5 -35.92 82.06 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.286 -0.565 . . . . 72.63 111.016 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.75 -42.05 91.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.027 0.441 . . . . 74.2 110.632 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.57 -43.2 94.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 121.917 -0.489 . . . . 74.04 110.332 176.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.11 -40.96 97.34 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.565 -0.454 . . . . 73.22 111.485 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.11 -40.28 86.85 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.308 -0.557 . . . . 71.43 111.47 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.08 -36.36 82.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 74.14 111.11 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.93 -38.72 92.16 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.424 -0.51 . . . . 85.24 110.965 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.2 99.36 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.411 -0.516 . . . . 79.65 111.037 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.64 -41.19 91.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 121.038 0.447 . . . . 89.83 110.614 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.06 -45.87 97.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 O-C-N 121.868 -0.52 . . . . 106.06 110.475 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.36 -27.21 66.92 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 121.961 -0.462 . . . . 112.54 111.677 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 tt -73.89 -41.03 62.75 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.838 -0.345 . . . . 110.51 111.069 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -77.53 -30.89 53.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.551 0.575 . . . . 119.07 112.551 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.35 -48.94 47.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.116 0.416 . . . . 148.12 111.435 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.27 -60.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 O-C-N 122.091 -0.381 . . . . 135.01 113.848 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.551 0 O-C-N 117.892 -3.123 . . . . 111.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 152.8 110.487 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . 0.426 ' O ' HG12 ' B' ' 6' ' ' ILE . 55.1 m -69.33 -42.86 74.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.121 -0.491 . . . . 133.17 111.54 -176.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.54 -36.57 83.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.419 -0.512 . . . . 124.23 111.267 179.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . -60.98 -43.4 98.87 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.506 -0.478 . . . . 115.43 110.943 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' TRP . . . . . 0.427 ' HH2' ' H61' ' A' ' 102' ' ' C8E . 4.5 m95 -64.17 -37.8 88.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.214 0.531 . . . . 115.52 111.129 175.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 2' ' ' SER . 44.2 mm -61.11 -48.68 87.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.258 0.552 . . . . 95.76 110.22 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.94 -43.22 97.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 120.874 0.368 . . . . 86.93 110.554 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -67.14 -39.56 86.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.033 -0.667 . . . . 93.76 111.501 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.22 -38.64 85.6 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.001 -0.679 . . . . 83.93 111.228 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.57 -34.04 77.02 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.615 -0.834 . . . . 75.83 111.545 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -65.88 -41.27 91.76 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.366 -0.534 . . . . 98.83 111.082 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.74 -36.38 82.84 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.283 -0.567 . . . . 81.8 111.095 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.83 -41.68 92.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.918 0.39 . . . . 73.4 110.506 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.48 -45.38 93.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.623 -0.431 . . . . 73.15 110.346 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.46 -43.38 98.96 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 122.076 -0.39 . . . . 82.24 111.445 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.65 -38.54 87.06 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.765 -0.374 . . . . 83.32 111.471 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.29 -35.1 77.35 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.901 -0.72 . . . . 76.5 110.985 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.49 -45.57 91.32 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.618 -0.433 . . . . 90.77 110.878 172.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.49 95.7 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.524 -0.47 . . . . 94.4 111.225 177.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.65 -44.17 98.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.856 0.36 . . . . 88.06 110.554 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.4 -43.56 96.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.225 0.536 . . . . 100.22 110.458 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -57.45 -42.8 83.2 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.546 -0.862 . . . . 112.29 111.456 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -72.48 -32.61 66.36 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.279 -0.568 . . . . 116.88 111.633 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 mt -69.37 -40.73 77.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.509 -0.476 . . . . 120.96 111.31 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.444 . . . . 149.93 111.021 176.596 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 46.9 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.577 0.227 . . . . 139.07 110.534 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' SER . . . . . 0.478 ' O ' HG12 ' C' ' 6' ' ' ILE . 49.0 m -60.67 -39.88 90.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.105 -0.498 . . . . 143.67 111.449 -177.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.89 -35.25 79.6 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.043 -0.663 . . . . 127.66 111.104 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . . . -66.28 -39.69 89.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.083 -0.647 . . . . 101.75 111.076 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -57.33 -45.54 84.18 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.925 0.393 . . . . 116.85 110.821 172.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . 0.478 HG12 ' O ' ' C' ' 2' ' ' SER . 33.5 mm -59.71 -45.43 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.045 0.45 . . . . 99.08 110.426 179.232 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.2 -42.88 98.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.736 -0.386 . . . . 88.31 110.58 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.28 -42.83 87.86 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 120.195 -0.602 . . . . 98.55 111.431 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.9 -39.46 93.56 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.982 -0.687 . . . . 85.68 111.27 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.63 -34.7 78.83 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.288 -0.565 . . . . 74.78 111.609 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.15 -41.46 90.39 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.216 -0.594 . . . . 87.52 111.015 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.57 -41.55 90.45 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.289 -0.564 . . . . 75.27 111.066 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.16 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 120.888 0.375 . . . . 70.84 110.56 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.07 -44.43 98.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 O-C-N 121.905 -0.497 . . . . 71.93 110.427 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.3 -45.16 94.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.944 0.402 . . . . 86.07 111.148 178.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.07 -37.88 86.93 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.566 -0.454 . . . . 72.48 111.526 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.65 -37.22 79.49 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.136 -0.626 . . . . 81.09 111.214 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 18' ' ' LEU . 1.5 mt -59.84 -45.82 91.22 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.458 -0.497 . . . . 92.47 110.688 172.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.2 84.12 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.742 -0.383 . . . . 90.48 111.26 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.61 -41.91 91.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 120.614 -0.434 . . . . 84.73 110.746 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -58.72 -42.48 85.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.037 0.446 . . . . 89.8 110.369 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -80.93 -18.96 45.34 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.582 -0.847 . . . . 111.78 113.064 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 mt -75.47 -32.95 60.78 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.343 0.519 . . . . 105.18 111.661 172.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.71 -44.5 90.04 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.238 -0.585 . . . . 117.43 111.155 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.33 -0.281 0 O-C-N 122.064 -0.398 . . . . 130.46 110.633 177.676 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.715 0.293 . . . . 146.44 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -108.68 -2.9 18.32 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.154 0.798 . . . . 116.1 113.154 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.71 -36.49 76.64 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.356 -0.538 . . . . 110.5 110.927 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . . . -64.48 -42.81 95.67 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.781 -0.368 . . . . 93.74 111.155 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -64.22 -38.42 90.99 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.271 -0.572 . . . . 119.95 111.253 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.6 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 120.521 -0.471 . . . . 86.91 110.399 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.32 -41.07 90.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 121.914 -0.491 . . . . 98.59 110.779 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.24 -44.53 95.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.866 -0.521 . . . . 83.06 111.308 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.3 -35.94 71.47 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.2 -0.6 . . . . 74.64 111.412 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.85 -37.72 88.45 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.931 -0.708 . . . . 77.23 111.099 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.74 -45.1 94.28 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.775 0.321 . . . . 92.29 110.886 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.7 -39.76 81.69 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.505 -0.478 . . . . 78.61 111.163 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.2 -39.95 84.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.786 0.327 . . . . 69.16 110.667 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.37 -43.21 96.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.819 -0.55 . . . . 68.0 110.358 175.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.41 -43.51 98.64 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.231 -0.588 . . . . 70.62 111.402 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.29 -37.79 83.96 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.569 -0.453 . . . . 69.12 111.371 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -68.54 -37.82 80.28 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.017 -0.673 . . . . 71.2 111.186 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.11 -37.82 88.69 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 119.964 -0.694 . . . . 78.31 110.908 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.0 97.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.494 -0.482 . . . . 84.3 111.158 174.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.11 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.99 0.424 . . . . 84.88 110.469 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.73 -44.65 97.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.962 0.41 . . . . 87.64 110.437 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.26 -32.73 72.11 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.898 -0.721 . . . . 105.36 111.887 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.37 -38.9 81.83 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.348 -0.541 . . . . 104.35 111.167 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 77.9 mt -71.91 -37.21 70.13 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.423 -0.511 . . . . 125.02 111.25 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 . . . . . 0 C--N 1.33 -0.277 0 O-C-N 122.168 -0.332 . . . . 125.79 111.163 178.971 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.882 0.372 . . . . 139.95 111.131 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -62.6 -39.5 93.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.893 -0.594 . . . . 119.91 111.037 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.76 -43.31 99.14 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 120.501 -0.479 . . . . 109.94 111.185 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.36 -41.84 98.85 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.51 -0.476 . . . . 108.79 111.173 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -67.5 -34.65 77.57 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.809 -0.756 . . . . 108.47 111.776 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mt -63.1 -43.88 99.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.074 0.464 . . . . 82.65 110.311 175.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.07 -41.54 93.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.627 -0.429 . . . . 87.96 110.48 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -62.38 -43.84 97.87 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 121.971 -0.455 . . . . 85.51 111.286 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.35 -38.42 84.78 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.587 -0.445 . . . . 74.9 111.496 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.77 -34.97 79.01 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.482 -0.887 . . . . 74.68 111.415 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -63.33 -43.09 98.76 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.595 -0.442 . . . . 104.05 110.808 173.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.95 -38.53 82.69 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.776 -0.369 . . . . 90.74 111.248 174.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.13 -41.12 88.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.884 0.373 . . . . 68.24 110.431 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.5 -42.82 95.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 120.519 -0.472 . . . . 75.2 110.422 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.67 -43.06 99.78 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.177 -0.609 . . . . 79.35 111.368 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.61 -35.8 81.05 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.598 -0.441 . . . . 70.8 111.757 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.54 -35.52 77.56 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.116 -0.634 . . . . 73.15 111.092 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.06 -40.17 96.91 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.223 -0.591 . . . . 77.59 110.84 172.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.45 95.98 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.511 -0.475 . . . . 80.7 111.22 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.66 -45.36 97.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.128 0.489 . . . . 79.59 110.45 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.41 -38.34 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.014 -0.429 . . . . 88.38 110.457 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.52 -43.27 85.7 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.914 -0.491 . . . . 118.04 111.37 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.5 -29.25 69.31 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.49 -0.484 . . . . 99.64 111.66 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 49.9 mt -81.1 -27.37 35.62 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.412 -0.515 . . . . 98.79 112.243 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 118.149 0.431 . . . . 130.5 111.352 178.025 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' C8E . . . . . 0.645 ' H62' ' C7 ' ' B' ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' C8E . . . . . 0.645 ' C7 ' ' H62' ' A' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' C8E . . . . . 0.457 H111 H142 ' C' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.838 0.352 . . . . 140.33 110.738 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -84.9 -27.97 26.28 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 112.505 0.557 . . . . 131.59 112.505 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.445 ' O ' HG23 ' A' ' 7' ' ' VAL . 56.2 mt -63.91 -39.37 94.02 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.261 -0.576 . . . . 124.54 111.072 177.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -68.34 -37.33 80.42 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.292 -0.563 . . . . 103.16 111.348 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -59.05 -43.56 91.7 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 120.584 -0.446 . . . . 123.16 110.98 172.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 71.1 mt -64.09 -39.91 87.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 C-N-CA 120.896 -0.322 . . . . 89.84 110.493 179.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 3' ' ' LEU . 95.7 t -64.03 -43.55 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.881 -0.512 . . . . 93.86 110.503 178.444 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.99 -45.51 92.48 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.868 -0.52 . . . . 91.2 111.102 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -65.07 -42.87 93.78 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.227 -0.589 . . . . 81.58 111.396 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 mt -65.36 -34.96 79.56 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.342 -0.543 . . . . 78.38 111.701 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CZ ' ' H32' ' A' ' 102' ' ' C8E . 11.0 t80 -68.23 -39.97 82.17 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.163 -0.615 . . . . 99.96 110.931 177.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -63.5 -35.92 82.06 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.286 -0.565 . . . . 72.63 111.016 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.7 mt -65.75 -42.05 91.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.027 0.441 . . . . 74.2 110.632 176.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.57 -43.2 94.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.416 0 O-C-N 121.917 -0.489 . . . . 74.04 110.332 176.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.11 -40.96 97.34 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 120.565 -0.454 . . . . 73.22 111.485 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.4 mt -67.11 -40.28 86.85 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.308 -0.557 . . . . 71.43 111.47 179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.08 -36.36 82.99 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.105 -0.638 . . . . 74.14 111.11 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mt -62.93 -38.72 92.16 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.424 -0.51 . . . . 85.24 110.965 173.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.2 99.36 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.411 -0.516 . . . . 79.65 111.037 176.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.64 -41.19 91.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 CA-C-O 121.038 0.447 . . . . 89.83 110.614 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -63.06 -45.87 97.64 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 O-C-N 121.868 -0.52 . . . . 106.06 110.475 178.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -67.36 -27.21 66.92 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 121.961 -0.462 . . . . 112.54 111.677 -179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 tt -73.89 -41.03 62.75 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.838 -0.345 . . . . 110.51 111.069 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.6 mt -77.53 -30.89 53.07 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.551 0.575 . . . . 119.07 112.551 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -71.35 -48.94 47.12 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.116 0.416 . . . . 148.12 111.435 -178.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 172.27 -60.48 0.16 Allowed Glycine 0 N--CA 1.451 -0.323 0 O-C-N 122.091 -0.381 . . . . 135.01 113.848 178.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.551 0 O-C-N 117.892 -3.123 . . . . 111.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.81 0.338 . . . . 152.8 110.487 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . 0.426 ' O ' HG12 ' B' ' 6' ' ' ILE . 55.1 m -69.33 -42.86 74.78 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.121 -0.491 . . . . 133.17 111.54 -176.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.54 -36.57 83.04 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.419 -0.512 . . . . 124.23 111.267 179.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . -60.98 -43.4 98.87 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.506 -0.478 . . . . 115.43 110.943 175.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' TRP . . . . . 0.427 ' HH2' ' H61' ' A' ' 102' ' ' C8E . 4.5 m95 -64.17 -37.8 88.76 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 121.214 0.531 . . . . 115.52 111.129 175.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.426 HG12 ' O ' ' B' ' 2' ' ' SER . 44.2 mm -61.11 -48.68 87.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 CA-C-O 121.258 0.552 . . . . 95.76 110.22 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 96.2 t -61.94 -43.22 97.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.486 0 CA-C-O 120.874 0.368 . . . . 86.93 110.554 -178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -67.14 -39.56 86.6 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.033 -0.667 . . . . 93.76 111.501 -178.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 70.0 mt -67.22 -38.64 85.6 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.001 -0.679 . . . . 83.93 111.228 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.1 mt -66.57 -34.04 77.02 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.615 -0.834 . . . . 75.83 111.545 175.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -65.88 -41.27 91.76 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.366 -0.534 . . . . 98.83 111.082 175.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.74 -36.38 82.84 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.283 -0.567 . . . . 81.8 111.095 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 82.5 mt -64.83 -41.68 92.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 120.918 0.39 . . . . 73.4 110.506 176.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.48 -45.38 93.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 C-N-CA 120.623 -0.431 . . . . 73.15 110.346 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.46 -43.38 98.96 Favored 'General case' 0 C--O 1.238 0.485 0 O-C-N 122.076 -0.39 . . . . 82.24 111.445 179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 69.8 mt -66.65 -38.54 87.06 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.765 -0.374 . . . . 83.32 111.471 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.29 -35.1 77.35 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.901 -0.72 . . . . 76.5 110.985 176.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 mt -59.49 -45.57 91.32 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.618 -0.433 . . . . 90.77 110.878 172.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.93 -40.49 95.7 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.524 -0.47 . . . . 94.4 111.225 177.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 53.5 mt -63.65 -44.17 98.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 120.856 0.36 . . . . 88.06 110.554 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.4 -43.56 96.93 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.225 0.536 . . . . 100.22 110.458 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -57.45 -42.8 83.2 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.546 -0.862 . . . . 112.29 111.456 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 97.0 mt -72.48 -32.61 66.36 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.279 -0.568 . . . . 116.88 111.633 177.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 37.7 mt -69.37 -40.73 77.28 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.509 -0.476 . . . . 120.96 111.31 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 120.589 -0.444 . . . . 149.93 111.021 176.596 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 46.9 t0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.577 0.227 . . . . 139.07 110.534 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' SER . . . . . 0.478 ' O ' HG12 ' C' ' 6' ' ' ILE . 49.0 m -60.67 -39.88 90.04 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.105 -0.498 . . . . 143.67 111.449 -177.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.89 -35.25 79.6 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.043 -0.663 . . . . 127.66 111.104 179.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . . . -66.28 -39.69 89.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 120.083 -0.647 . . . . 101.75 111.076 175.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -57.33 -45.54 84.18 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.925 0.393 . . . . 116.85 110.821 172.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.478 HG12 ' O ' ' C' ' 2' ' ' SER . 33.5 mm -59.71 -45.43 94.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-O 121.045 0.45 . . . . 99.08 110.426 179.232 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.2 -42.88 98.12 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.736 -0.386 . . . . 88.31 110.58 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -66.28 -42.83 87.86 Favored 'General case' 0 C--O 1.239 0.545 0 C-N-CA 120.195 -0.602 . . . . 98.55 111.431 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.9 -39.46 93.56 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.982 -0.687 . . . . 85.68 111.27 178.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -65.63 -34.7 78.83 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.288 -0.565 . . . . 74.78 111.609 176.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -66.15 -41.46 90.39 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 120.216 -0.594 . . . . 87.52 111.015 175.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 55.9 mt -59.57 -41.55 90.45 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.289 -0.564 . . . . 75.27 111.066 173.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.16 -39.03 84.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 120.888 0.375 . . . . 70.84 110.56 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.07 -44.43 98.99 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 O-C-N 121.905 -0.497 . . . . 71.93 110.427 176.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.3 -45.16 94.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.944 0.402 . . . . 86.07 111.148 178.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -66.07 -37.88 86.93 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.566 -0.454 . . . . 72.48 111.526 -178.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 34.3 mt -68.65 -37.22 79.49 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 120.136 -0.626 . . . . 81.09 111.214 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' C' ' 18' ' ' LEU . 1.5 mt -59.84 -45.82 91.22 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.458 -0.497 . . . . 92.47 110.688 172.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.89 -42.2 84.12 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.742 -0.383 . . . . 90.48 111.26 177.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.61 -41.91 91.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.542 0 C-N-CA 120.614 -0.434 . . . . 84.73 110.746 179.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 42.9 t -58.72 -42.48 85.35 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.037 0.446 . . . . 89.8 110.369 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -80.93 -18.96 45.34 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 119.582 -0.847 . . . . 111.78 113.064 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 mt -75.47 -32.95 60.78 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.343 0.519 . . . . 105.18 111.661 172.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 43.0 mt -64.71 -44.5 90.04 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.238 -0.585 . . . . 117.43 111.155 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 . . . . . 0 C--N 1.33 -0.281 0 O-C-N 122.064 -0.398 . . . . 130.46 110.633 177.676 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.715 0.293 . . . . 146.44 111.222 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 67.5 m -108.68 -2.9 18.32 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 113.154 0.798 . . . . 116.1 113.154 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.71 -36.49 76.64 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.356 -0.538 . . . . 110.5 110.927 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . . . -64.48 -42.81 95.67 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.781 -0.368 . . . . 93.74 111.155 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 50.1 m95 -64.22 -38.42 90.99 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.271 -0.572 . . . . 119.95 111.253 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 94.6 mt -62.6 -45.32 99.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 C-N-CA 120.521 -0.471 . . . . 86.91 110.399 178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.32 -41.07 90.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 O-C-N 121.914 -0.491 . . . . 98.59 110.779 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.24 -44.53 95.16 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.866 -0.521 . . . . 83.06 111.308 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 79.7 mt -71.3 -35.94 71.47 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.2 -0.6 . . . . 74.64 111.412 -178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.85 -37.72 88.45 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.931 -0.708 . . . . 77.23 111.099 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -62.74 -45.1 94.28 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-O 120.775 0.321 . . . . 92.29 110.886 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 mp -58.7 -39.76 81.69 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.505 -0.478 . . . . 78.61 111.163 175.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.2 -39.95 84.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.786 0.327 . . . . 69.16 110.667 -179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 42.7 t -61.37 -43.21 96.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 O-C-N 121.819 -0.55 . . . . 68.0 110.358 175.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mp -62.41 -43.51 98.64 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.231 -0.588 . . . . 70.62 111.402 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.29 -37.79 83.96 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.569 -0.453 . . . . 69.12 111.371 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -68.54 -37.82 80.28 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.017 -0.673 . . . . 71.2 111.186 178.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 54.3 tp -65.11 -37.82 88.69 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 119.964 -0.694 . . . . 78.31 110.908 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.05 -42.0 97.66 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.494 -0.482 . . . . 84.3 111.158 174.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 65.8 mt -63.11 -41.39 92.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.99 0.424 . . . . 84.88 110.469 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 40.1 t -60.73 -44.65 97.71 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-O 120.962 0.41 . . . . 87.64 110.437 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -69.26 -32.73 72.11 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.898 -0.721 . . . . 105.36 111.887 179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.37 -38.9 81.83 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.348 -0.541 . . . . 104.35 111.167 177.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 77.9 mt -71.91 -37.21 70.13 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.423 -0.511 . . . . 125.02 111.25 178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttt85 . . . . . 0 C--N 1.33 -0.277 0 O-C-N 122.168 -0.332 . . . . 125.79 111.163 178.971 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.882 0.372 . . . . 139.95 111.131 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -62.6 -39.5 93.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.893 -0.594 . . . . 119.91 111.037 177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.76 -43.31 99.14 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 120.501 -0.479 . . . . 109.94 111.185 176.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.36 -41.84 98.85 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.51 -0.476 . . . . 108.79 111.173 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -67.5 -34.65 77.57 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 119.809 -0.756 . . . . 108.47 111.776 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 34.7 mt -63.1 -43.88 99.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-O 121.074 0.464 . . . . 82.65 110.311 175.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.07 -41.54 93.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 C-N-CA 120.627 -0.429 . . . . 87.96 110.48 178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -62.38 -43.84 97.87 Favored 'General case' 0 C--O 1.239 0.507 0 O-C-N 121.971 -0.455 . . . . 85.51 111.286 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 79.1 mt -67.35 -38.42 84.78 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.587 -0.445 . . . . 74.9 111.496 179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 44.7 mt -66.77 -34.97 79.01 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.482 -0.887 . . . . 74.68 111.415 176.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -63.33 -43.09 98.76 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.595 -0.442 . . . . 104.05 110.808 173.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.95 -38.53 82.69 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.776 -0.369 . . . . 90.74 111.248 174.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 76.9 mt -66.13 -41.12 88.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.884 0.373 . . . . 68.24 110.431 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 66.2 t -61.5 -42.82 95.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 C-N-CA 120.519 -0.472 . . . . 75.2 110.422 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.67 -43.06 99.78 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 120.177 -0.609 . . . . 79.35 111.368 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -66.61 -35.8 81.05 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.598 -0.441 . . . . 70.8 111.757 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.54 -35.52 77.56 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.116 -0.634 . . . . 73.15 111.092 176.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.06 -40.17 96.91 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.223 -0.591 . . . . 77.59 110.84 172.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.45 95.98 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.511 -0.475 . . . . 80.7 111.22 174.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.66 -45.36 97.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 CA-C-O 121.128 0.489 . . . . 79.59 110.45 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.41 -38.34 81.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 O-C-N 122.014 -0.429 . . . . 88.38 110.457 -179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -66.52 -43.27 85.7 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.914 -0.491 . . . . 118.04 111.37 178.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.5 -29.25 69.31 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.49 -0.484 . . . . 99.64 111.66 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 49.9 mt -81.1 -27.37 35.62 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.412 -0.515 . . . . 98.79 112.243 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 118.149 0.431 . . . . 130.5 111.352 178.025 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' C8E . . . . . 0.645 ' H62' ' C7 ' ' B' ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' C8E . . . . . 0.645 ' C7 ' ' H62' ' A' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' C8E . . . . . 0.457 H111 H142 ' C' ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_