data_6xy4_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 6xy4 _Structure_validation_residue.Date_analyzed 2020-07-24 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 ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.007 0.432 . . . . 132.96 110.339 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -172.38 154.06 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.919 -1.141 . . . . 103.44 107.919 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -113.0 100.74 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.51 -0.922 . . . . 128.89 108.51 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . 0.403 HG22 ' HB3' ' A' ' 127' ' ' GLN . 10.1 tp -60.35 -34.11 56.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.089 -0.505 . . . . 73.72 110.495 -178.907 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.3 -43.0 87.91 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.839 -0.538 . . . . 92.47 110.8 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -59.39 -48.03 83.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.791 0.329 . . . . 108.49 111.011 175.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.12 -48.94 81.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.103 0.478 . . . . 65.76 110.301 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.28 -33.12 75.1 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.41 -0.516 . . . . 53.51 111.499 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -65.12 -50.31 66.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.339 -0.544 . . . . 95.47 110.858 175.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.7 t -56.17 -40.81 67.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.988 0.423 . . . . 68.47 110.454 178.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.96 -51.87 16.73 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.211 -0.596 . . . . 58.17 111.329 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.0 -29.8 58.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.527 0.565 . . . . 66.33 112.527 -171.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -96.04 -0.76 50.02 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.873 0.694 . . . . 139.16 112.873 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 60.04 47.2 9.94 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.772 0.796 . . . . 98.06 111.102 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -86.5 172.1 10.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.875 0.845 . . . . 80.29 110.501 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -82.27 152.9 26.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.32 -0.855 . . . . 145.9 109.976 174.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.5 pt -85.48 5.46 2.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 115.448 -0.796 . . . . 89.83 113.0 -171.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.97 -35.85 62.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.442 0.564 . . . . 119.15 111.582 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 p -76.82 -12.0 59.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.444 0.905 . . . . 100.49 113.444 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.6 mt -97.81 149.58 22.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.816 0.735 . . . . 92.12 111.209 -173.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -88.75 -174.93 4.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.332 -0.849 . . . . 84.28 109.266 173.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.06 -42.53 76.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.186 -0.606 . . . . 119.09 111.498 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -62.79 -42.37 99.68 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.142 -0.623 . . . . 98.12 111.221 177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.37 -38.14 89.14 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.258 -0.577 . . . . 86.97 111.159 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 tp -66.03 -41.35 91.05 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.084 -0.647 . . . . 104.36 110.961 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.85 -51.49 65.73 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.02 0.438 . . . . 99.39 110.88 175.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.96 -41.4 83.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.963 0.411 . . . . 64.7 110.142 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.67 -45.35 85.71 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 121.917 -0.489 . . . . 75.62 111.046 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.0 pt -62.99 -36.35 75.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.029 0.442 . . . . 72.94 110.576 -176.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -73.06 -47.3 45.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 121.856 -0.527 . . . . 87.4 111.039 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.75 -46.31 79.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.225 0.536 . . . . 63.19 110.076 176.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -65.24 -47.76 75.64 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.98 -0.45 . . . . 139.89 111.124 -176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -54.13 -48.58 70.65 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.004 0.431 . . . . 97.93 111.152 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.8 m -68.96 -41.69 77.63 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.431 -0.507 . . . . 66.58 111.52 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.4 m -66.31 -38.88 88.74 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.165 -0.614 . . . . 49.31 111.707 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -62.54 -37.7 87.11 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.892 -0.723 . . . . 95.75 110.959 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.92 -43.79 92.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.967 0.413 . . . . 54.98 110.386 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.05 -45.36 98.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.207 0.527 . . . . 46.89 110.263 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -62.63 -35.81 80.77 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.342 -0.543 . . . . 85.52 111.15 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.33 -43.83 39.38 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 122.139 -0.35 . . . . 109.84 111.539 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -68.29 -29.92 68.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.263 0.468 . . . . 67.95 112.263 -175.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.73 33.26 5.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.999 0.363 . . . . 83.1 111.474 -176.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -55.64 -48.52 74.85 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.828 0.346 . . . . 113.53 111.34 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.5 p -64.36 -40.64 96.26 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.139 -0.624 . . . . 96.16 111.262 -176.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -64.51 -41.71 96.25 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.219 -0.593 . . . . 75.53 111.252 177.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -65.36 -36.0 82.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.178 -0.609 . . . . 41.44 111.14 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.19 -42.38 93.66 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.209 -0.596 . . . . 74.11 111.304 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.93 -45.45 74.83 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.111 -0.635 . . . . 49.32 110.961 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.25 -49.22 85.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 121.198 0.523 . . . . 38.17 110.218 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.6 m -62.27 -42.4 99.31 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.992 -0.443 . . . . 45.63 111.461 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -61.27 -30.28 70.37 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.982 -0.687 . . . . 81.74 111.542 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -75.93 -28.3 57.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.149 -0.62 . . . . 48.98 112.015 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.9 pt -94.09 -11.27 9.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 N-CA-C 112.209 0.448 . . . . 111.94 112.209 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tt -52.92 136.67 34.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.306 0.503 . . . . 80.74 110.254 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.24 149.73 47.71 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.141 -0.689 . . . . 103.26 109.141 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -99.83 111.36 23.69 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.615 -0.721 . . . . 143.17 109.171 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 128.77 110.622 179.507 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 mttt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.07 -0.344 . . . . 135.83 110.07 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m 67.87 43.25 1.76 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.164 -0.471 . . . . 191.52 111.548 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.11 -29.82 67.97 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.074 -0.65 . . . . 116.71 111.433 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -115.06 114.2 25.05 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.346 -1.353 . . . . 76.71 107.346 175.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -93.61 114.63 27.01 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.431 -0.581 . . . . 55.18 109.431 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mm -54.0 -27.99 16.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 116.408 -0.36 . . . . 84.59 110.726 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.91 -41.45 99.46 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.055 -0.658 . . . . 89.06 110.903 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.66 -40.89 96.22 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.223 -0.591 . . . . 51.7 110.918 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.74 -45.13 98.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.2 0.524 . . . . 51.47 110.014 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -52.89 -53.0 55.47 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.984 0.421 . . . . 149.87 111.121 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.49 -38.68 78.13 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.336 -0.546 . . . . 67.0 111.36 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.7 -45.43 84.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 119.891 -0.723 . . . . 53.61 110.371 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.82 -43.89 96.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.843 -0.536 . . . . 41.4 110.692 -177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.29 -40.37 88.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.706 -0.621 . . . . 68.89 110.426 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.97 -39.26 93.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.104 -0.638 . . . . 76.36 110.949 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 m -65.83 -51.31 60.03 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.647 -0.421 . . . . 37.41 110.859 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.81 -46.66 74.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.175 0.512 . . . . 50.78 110.264 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -74.61 -4.68 38.56 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.05 0.759 . . . . 63.57 113.05 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 118.542 0.61 . . . . 61.82 110.609 -179.98 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.2 ttp-105 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.791 -0.448 . . . . 103.81 109.791 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.61 -41.72 74.92 Favored 'Trans proline' 0 C--O 1.238 0.479 0 O-C-N 122.613 0.796 . . . . 57.34 113.654 -173.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 p -61.28 -42.11 98.09 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.266 -0.574 . . . . 81.0 111.049 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -66.19 -38.24 81.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.412 -0.515 . . . . 73.84 110.474 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.97 -44.82 96.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.325 -0.55 . . . . 87.8 110.472 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.32 -39.27 93.57 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.922 -0.711 . . . . 45.19 111.054 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.06 74.71 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.926 -0.71 . . . . 39.34 111.081 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.8 m -72.36 -46.38 55.66 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.647 0.261 . . . . 36.68 111.017 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.56 -44.56 69.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.341 0.591 . . . . 38.08 109.937 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -61.8 -46.56 89.03 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.031 -0.418 . . . . 36.63 111.104 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.78 -48.52 77.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.575 -0.45 . . . . 37.21 111.049 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.25 -41.68 93.7 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.372 -0.531 . . . . 39.9 111.028 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.7 t -58.95 -43.75 91.33 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.354 -0.539 . . . . 42.44 110.952 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.47 -48.7 86.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.209 0.528 . . . . 73.47 110.191 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.7 mm -57.85 -48.7 83.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.171 0.51 . . . . 67.84 110.305 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.11 -43.62 76.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.566 -0.454 . . . . 49.44 110.457 -178.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -63.7 -45.54 89.56 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.974 -0.69 . . . . 127.4 110.833 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.38 -37.52 81.02 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.308 -0.557 . . . . 74.15 111.161 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.68 -39.75 94.2 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.271 -0.571 . . . . 70.95 111.337 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -69.78 -30.92 68.59 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.947 -0.701 . . . . 119.07 111.759 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -69.75 -43.57 71.98 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.069 -0.652 . . . . 123.27 110.649 170.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.26 -48.63 79.08 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.777 0.322 . . . . 134.14 111.248 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.69 -29.96 32.82 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.921 0.711 . . . . 153.67 112.921 -171.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 118.198 0.454 . . . . 201.14 110.825 178.213 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.912 0.387 . . . . 124.31 110.238 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.0 t70 54.18 21.41 3.04 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.8 -0.636 . . . . 183.92 111.565 -174.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -78.84 127.98 32.75 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.221 -0.659 . . . . 104.75 109.221 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.6 tp -53.29 -52.38 59.29 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.56 -0.456 . . . . 77.2 111.036 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.49 72.82 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.791 -0.364 . . . . 53.58 111.43 -177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.3 -45.25 85.14 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.328 -0.549 . . . . 55.58 111.155 178.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -66.55 -36.24 82.2 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.264 -0.575 . . . . 89.09 111.251 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.68 -43.96 97.07 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.434 -0.506 . . . . 45.04 111.066 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.58 -44.16 87.49 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.225 -0.59 . . . . 46.05 111.186 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.27 -43.43 86.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.248 -0.581 . . . . 61.2 110.202 176.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.46 -43.74 96.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.362 -0.535 . . . . 54.66 111.196 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -67.25 -45.71 75.9 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.298 -0.561 . . . . 70.83 110.875 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -52.9 -49.73 65.32 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.471 -0.492 . . . . 47.0 110.594 173.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 t -58.45 -31.63 67.96 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.452 -0.499 . . . . 54.02 111.7 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.0 p -65.95 -25.16 66.99 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.96 -0.696 . . . . 50.37 111.43 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -101.49 27.21 6.49 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.18 0.437 . . . . 75.84 112.18 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLN . . . . . 0.403 ' HB3' HG22 ' A' ' 8' ' ' ILE . 5.7 pt20 -60.66 -22.81 64.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.336 -0.546 . . . . 110.15 112.007 -175.463 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -56.67 -45.29 81.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.549 -0.461 . . . . 122.95 110.606 170.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.12 -41.05 59.31 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 122.086 -0.384 . . . . 92.75 111.484 -176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 94.9 mt -55.8 -46.89 80.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.223 0.535 . . . . 69.2 110.307 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mt -69.9 -44.17 78.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 O-C-N 121.887 -0.508 . . . . 70.65 110.645 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 p -59.28 -44.76 92.44 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.944 -0.702 . . . . 100.85 110.969 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.84 -51.26 70.04 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.284 -0.566 . . . . 88.64 111.016 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.8 m -69.42 -29.05 40.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.094 -0.642 . . . . 80.33 110.811 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.81 -33.4 74.73 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.114 -0.634 . . . . 94.76 111.243 174.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -75.46 -2.69 29.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.626 0.602 . . . . 136.58 112.626 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 118.168 0.44 . . . . 113.08 111.313 -179.992 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 CA--C 1.528 0.102 0 N-CA-C 110.087 -0.338 . . . . 110.14 110.087 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 54.0 p -109.66 162.38 14.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.707 0.765 . . . . 88.73 111.148 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.51 87.16 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.037 -0.983 . . . . 50.22 111.163 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.4 96.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.471 -0.492 . . . . 52.32 111.177 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.37 -47.02 80.84 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.891 0.377 . . . . 136.61 111.211 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.72 -46.95 87.54 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.282 -0.567 . . . . 50.5 110.917 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 m -70.98 -27.63 63.85 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.051 -0.659 . . . . 41.74 111.569 -177.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.54 70.71 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.199 -0.6 . . . . 37.36 111.296 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.14 86.63 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.16 -0.616 . . . . 39.84 110.832 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -66.13 -43.33 87.43 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.621 -0.432 . . . . 97.06 111.013 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.4 -38.28 84.43 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.084 -0.646 . . . . 48.65 111.015 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -65.61 -33.7 76.51 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.572 -0.851 . . . . 59.43 111.352 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.69 86.38 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.3 -0.56 . . . . 40.49 110.974 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 mp -62.92 -46.63 86.89 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.632 -0.427 . . . . 58.04 110.645 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.03 -40.32 93.26 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.148 -1.025 . . . . 36.94 112.57 175.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.37 -51.78 68.43 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.286 -0.538 . . . . 46.25 111.197 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -66.23 -42.19 88.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.916 -0.714 . . . . 101.9 110.877 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.26 -41.13 79.08 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.506 -0.478 . . . . 62.91 111.061 175.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.28 -44.79 82.55 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.12 -0.362 . . . . 56.06 111.204 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -49.65 -51.65 36.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.864 0.364 . . . . 60.73 111.449 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -72.11 -49.66 34.33 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.711 -0.396 . . . . 121.61 111.586 -172.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 52.5 p -75.08 -36.7 61.72 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.201 -0.6 . . . . 117.72 111.7 -168.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 35.9 mtp -127.48 0.51 6.26 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 114.374 1.25 . . . . 127.54 114.374 -167.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 13.0 m95 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 118.892 0.769 . . . . 109.57 111.12 -176.882 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.007 0.432 . . . . 111.19 110.339 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -172.38 154.06 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.919 -1.141 . . . . 86.18 107.919 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -113.0 100.74 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.51 -0.922 . . . . 107.48 108.51 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 127' ' ' GLN . 10.1 tp -60.35 -34.11 56.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.089 -0.505 . . . . 61.42 110.495 -178.907 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.3 -43.0 87.91 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.839 -0.538 . . . . 92.47 110.8 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -59.39 -48.03 83.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.791 0.329 . . . . 90.39 111.011 175.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.12 -48.94 81.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.103 0.478 . . . . 54.78 110.301 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.28 -33.12 75.1 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.41 -0.516 . . . . 44.57 111.499 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -65.12 -50.31 66.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.339 -0.544 . . . . 79.54 110.858 175.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.7 t -56.17 -40.81 67.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.988 0.423 . . . . 57.04 110.454 178.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.96 -51.87 16.73 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.211 -0.596 . . . . 48.46 111.329 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.0 -29.8 58.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.527 0.565 . . . . 66.33 112.527 -171.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -96.04 -0.76 50.02 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.873 0.694 . . . . 115.95 112.873 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 60.04 47.2 9.94 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.772 0.796 . . . . 92.0 111.102 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -86.5 172.1 10.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.875 0.845 . . . . 66.89 110.501 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -82.27 152.9 26.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.32 -0.855 . . . . 121.57 109.976 174.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.5 pt -85.48 5.46 2.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 115.448 -0.796 . . . . 88.22 113.0 -171.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.97 -35.85 62.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.442 0.564 . . . . 111.1 111.582 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 p -76.82 -12.0 59.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.444 0.905 . . . . 90.67 113.444 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.6 mt -97.81 149.58 22.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.816 0.735 . . . . 76.75 111.209 -173.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -88.75 -174.93 4.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.332 -0.849 . . . . 70.21 109.266 173.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.06 -42.53 76.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.186 -0.606 . . . . 99.22 111.498 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -62.79 -42.37 99.68 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.142 -0.623 . . . . 86.22 111.221 177.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.37 -38.14 89.14 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.258 -0.577 . . . . 78.43 111.159 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.9 tp -66.03 -41.35 91.05 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.084 -0.647 . . . . 86.94 110.961 176.18 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . 0.766 ' O ' HG12 ' A' ' 33' ' ' ILE . 4.5 tp10 -54.85 -51.49 65.73 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.02 0.438 . . . . 99.39 110.88 175.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.96 -41.4 83.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.963 0.411 . . . . 53.89 110.142 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.67 -45.35 85.71 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 121.917 -0.489 . . . . 63.0 111.046 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 29' ' ' LEU . 4.0 pt -62.99 -36.35 75.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.029 0.442 . . . . 72.94 110.576 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -73.06 -47.3 45.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 121.856 -0.527 . . . . 72.81 111.039 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.75 -46.31 79.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.225 0.536 . . . . 52.64 110.076 176.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -65.24 -47.76 75.64 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.98 -0.45 . . . . 116.56 111.124 -176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -54.13 -48.58 70.65 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.004 0.431 . . . . 97.93 111.152 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.8 m -68.96 -41.69 77.63 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.431 -0.507 . . . . 55.46 111.52 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.4 m -66.31 -38.88 88.74 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.165 -0.614 . . . . 41.07 111.707 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -62.54 -37.7 87.11 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.892 -0.723 . . . . 95.75 110.959 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.92 -43.79 92.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.967 0.413 . . . . 45.8 110.386 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.05 -45.36 98.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.207 0.527 . . . . 40.15 110.263 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -62.63 -35.81 80.77 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.342 -0.543 . . . . 71.25 111.15 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.33 -43.83 39.38 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 122.139 -0.35 . . . . 91.51 111.539 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -68.29 -29.92 68.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.263 0.468 . . . . 59.32 112.263 -175.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.73 33.26 5.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.999 0.363 . . . . 69.23 111.474 -176.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -55.64 -48.52 74.85 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.828 0.346 . . . . 94.58 111.34 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.5 p -64.36 -40.64 96.26 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.139 -0.624 . . . . 80.12 111.262 -176.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . 0.652 ' HB3' HD11 ' B' ' 40' ' ' LEU . 36.2 mp0 -64.51 -41.71 96.25 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.219 -0.593 . . . . 71.48 111.252 177.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -65.36 -36.0 82.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.178 -0.609 . . . . 36.35 111.14 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.19 -42.38 93.66 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.209 -0.596 . . . . 61.74 111.304 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.93 -45.45 74.83 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.111 -0.635 . . . . 49.32 110.961 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.25 -49.22 85.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 121.198 0.523 . . . . 32.09 110.218 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.6 m -62.27 -42.4 99.31 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.992 -0.443 . . . . 38.91 111.461 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -61.27 -30.28 70.37 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.982 -0.687 . . . . 68.1 111.542 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -75.93 -28.3 57.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.149 -0.62 . . . . 48.98 112.015 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.9 pt -94.09 -11.27 9.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 N-CA-C 112.209 0.448 . . . . 93.26 112.209 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tt -52.92 136.67 34.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.306 0.503 . . . . 67.26 110.254 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.24 149.73 47.71 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.141 -0.689 . . . . 86.03 109.141 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -99.83 111.36 23.69 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.615 -0.721 . . . . 120.03 109.171 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 112.69 110.622 179.507 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 mttt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.07 -0.344 . . . . 119.37 110.07 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m 67.87 43.25 1.76 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.164 -0.471 . . . . 159.58 111.548 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.11 -29.82 67.97 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.074 -0.65 . . . . 97.24 111.433 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -115.06 114.2 25.05 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.346 -1.353 . . . . 63.91 107.346 175.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -93.61 114.63 27.01 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.431 -0.581 . . . . 50.09 109.431 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mm -54.0 -27.99 16.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 116.408 -0.36 . . . . 70.47 110.726 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.91 -41.45 99.46 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.055 -0.658 . . . . 74.2 110.903 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.66 -40.89 96.22 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.223 -0.591 . . . . 51.7 110.918 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.74 -45.13 98.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.2 0.524 . . . . 42.87 110.014 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -52.89 -53.0 55.47 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.984 0.421 . . . . 124.87 111.121 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.49 -38.68 78.13 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.336 -0.546 . . . . 55.81 111.36 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.7 -45.43 84.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 119.891 -0.723 . . . . 44.65 110.371 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.82 -43.89 96.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.843 -0.536 . . . . 34.79 110.692 -177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.29 -40.37 88.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.706 -0.621 . . . . 57.39 110.426 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.97 -39.26 93.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.104 -0.638 . . . . 72.35 110.949 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 m -65.83 -51.31 60.03 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.647 -0.421 . . . . 33.39 110.859 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.81 -46.66 74.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.175 0.512 . . . . 42.29 110.264 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -74.61 -4.68 38.56 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.05 0.759 . . . . 52.95 113.05 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 118.542 0.61 . . . . 51.5 110.609 -179.98 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.2 ttp-105 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.791 -0.448 . . . . 86.49 109.791 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.61 -41.72 74.92 Favored 'Trans proline' 0 C--O 1.238 0.479 0 O-C-N 122.613 0.796 . . . . 47.76 113.654 -173.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 p -61.28 -42.11 98.09 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.266 -0.574 . . . . 67.48 111.049 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -66.19 -38.24 81.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.412 -0.515 . . . . 61.51 110.474 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.97 -44.82 96.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.325 -0.55 . . . . 73.14 110.472 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.32 -39.27 93.57 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.922 -0.711 . . . . 37.64 111.054 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.06 74.71 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.926 -0.71 . . . . 32.77 111.081 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.8 m -72.36 -46.38 55.66 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.647 0.261 . . . . 32.99 111.017 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.56 -44.56 69.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.341 0.591 . . . . 31.71 109.937 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -61.8 -46.56 89.03 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.031 -0.418 . . . . 31.49 111.104 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.78 -48.52 77.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.575 -0.45 . . . . 34.93 111.049 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.25 -41.68 93.7 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.372 -0.531 . . . . 34.6 111.028 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.7 t -58.95 -43.75 91.33 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.354 -0.539 . . . . 36.03 110.952 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.47 -48.7 86.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.209 0.528 . . . . 61.2 110.191 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.7 mm -57.85 -48.7 83.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.171 0.51 . . . . 56.51 110.305 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.11 -43.62 76.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.566 -0.454 . . . . 44.2 110.457 -178.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -63.7 -45.54 89.56 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.974 -0.69 . . . . 106.15 110.833 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.38 -37.52 81.02 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.308 -0.557 . . . . 61.78 111.161 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.68 -39.75 94.2 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.271 -0.571 . . . . 70.95 111.337 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -69.78 -30.92 68.59 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.947 -0.701 . . . . 99.2 111.759 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -69.75 -43.57 71.98 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.069 -0.652 . . . . 123.27 110.649 170.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.26 -48.63 79.08 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.777 0.322 . . . . 122.84 111.248 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.69 -29.96 32.82 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.921 0.711 . . . . 128.04 112.921 -171.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 118.198 0.454 . . . . 170.57 110.825 178.213 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.912 0.387 . . . . 115.94 110.238 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.0 t70 54.18 21.41 3.04 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.8 -0.636 . . . . 159.69 111.565 -174.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -78.84 127.98 32.75 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.221 -0.659 . . . . 102.81 109.221 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.6 tp -53.29 -52.38 59.29 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.56 -0.456 . . . . 64.31 111.036 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.49 72.82 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.791 -0.364 . . . . 44.63 111.43 -177.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.3 -45.25 85.14 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.328 -0.549 . . . . 46.3 111.155 178.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -66.55 -36.24 82.2 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.264 -0.575 . . . . 74.22 111.251 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.68 -43.96 97.07 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.434 -0.506 . . . . 39.11 111.066 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.58 -44.16 87.49 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.225 -0.59 . . . . 39.89 111.186 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.27 -43.43 86.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.248 -0.581 . . . . 50.98 110.202 176.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.46 -43.74 96.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.362 -0.535 . . . . 45.53 111.196 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -67.25 -45.71 75.9 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.298 -0.561 . . . . 59.01 110.875 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -52.9 -49.73 65.32 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.471 -0.492 . . . . 47.0 110.594 173.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 t -58.45 -31.63 67.96 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.452 -0.499 . . . . 45.0 111.7 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.0 p -65.95 -25.16 66.99 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.96 -0.696 . . . . 44.5 111.43 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -101.49 27.21 6.49 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.18 0.437 . . . . 63.18 112.18 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLN . . . . . 0.413 ' HB3' HG21 ' A' ' 8' ' ' ILE . 5.7 pt20 -60.66 -22.81 64.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.336 -0.546 . . . . 91.77 112.007 -175.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -56.67 -45.29 81.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.549 -0.461 . . . . 102.44 110.606 170.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.12 -41.05 59.31 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 122.086 -0.384 . . . . 85.11 111.484 -176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 94.9 mt -55.8 -46.89 80.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.223 0.535 . . . . 57.65 110.307 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mt -69.9 -44.17 78.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 O-C-N 121.887 -0.508 . . . . 70.27 110.645 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 p -59.28 -44.76 92.44 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.944 -0.702 . . . . 84.02 110.969 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.84 -51.26 70.04 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.284 -0.566 . . . . 74.46 111.016 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.8 m -69.42 -29.05 40.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.094 -0.642 . . . . 79.61 110.811 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.81 -33.4 74.73 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.114 -0.634 . . . . 93.23 111.243 174.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -75.46 -2.69 29.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.626 0.602 . . . . 113.8 112.626 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 118.168 0.44 . . . . 95.31 111.313 -179.992 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 CA--C 1.528 0.102 0 N-CA-C 110.087 -0.338 . . . . 91.77 110.087 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 54.0 p -109.66 162.38 14.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.707 0.765 . . . . 73.92 111.148 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.51 87.16 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.037 -0.983 . . . . 41.83 111.163 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.4 96.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.471 -0.492 . . . . 43.58 111.177 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.37 -47.02 80.84 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.891 0.377 . . . . 113.82 111.211 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.72 -46.95 87.54 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.282 -0.567 . . . . 42.06 110.917 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 m -70.98 -27.63 63.85 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.051 -0.659 . . . . 34.76 111.569 -177.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.54 70.71 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.199 -0.6 . . . . 34.78 111.296 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.14 86.63 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.16 -0.616 . . . . 33.18 110.832 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -66.13 -43.33 87.43 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.621 -0.432 . . . . 80.86 111.013 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.4 -38.28 84.43 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.084 -0.646 . . . . 40.52 111.015 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -65.61 -33.7 76.51 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.572 -0.851 . . . . 49.5 111.352 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.69 86.38 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.3 -0.56 . . . . 34.02 110.974 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' LEU . . . . . 0.652 HD11 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mp -62.92 -46.63 86.89 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.632 -0.427 . . . . 58.04 110.645 174.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.03 -40.32 93.26 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.148 -1.025 . . . . 34.04 112.57 175.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.37 -51.78 68.43 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.286 -0.538 . . . . 40.74 111.197 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -66.23 -42.19 88.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.916 -0.714 . . . . 101.9 110.877 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.26 -41.13 79.08 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.506 -0.478 . . . . 62.91 111.061 175.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.28 -44.79 82.55 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.12 -0.362 . . . . 46.82 111.204 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -49.65 -51.65 36.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.864 0.364 . . . . 56.4 111.449 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -72.11 -49.66 34.33 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.711 -0.396 . . . . 101.32 111.586 -172.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 52.5 p -75.08 -36.7 61.72 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.201 -0.6 . . . . 98.08 111.7 -168.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 35.9 mtp -127.48 0.51 6.26 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 114.374 1.25 . . . . 127.54 114.374 -167.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 13.0 m95 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 118.892 0.769 . . . . 109.57 111.12 -176.882 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.007 0.432 . . . . 111.19 110.339 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -172.38 154.06 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 107.919 -1.141 . . . . 86.18 107.919 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -113.0 100.74 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.51 -0.922 . . . . 107.48 108.51 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 127' ' ' GLN . 10.1 tp -60.35 -34.11 56.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.089 -0.505 . . . . 61.42 110.495 -178.907 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -58.3 -43.0 87.91 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.839 -0.538 . . . . 92.47 110.8 176.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -59.39 -48.03 83.21 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-O 120.791 0.329 . . . . 90.39 111.011 175.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.12 -48.94 81.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-O 121.103 0.478 . . . . 54.78 110.301 -178.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 mt -64.28 -33.12 75.1 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.41 -0.516 . . . . 44.57 111.499 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -65.12 -50.31 66.55 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.339 -0.544 . . . . 79.54 110.858 175.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.7 t -56.17 -40.81 67.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-O 120.988 0.423 . . . . 57.04 110.454 178.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -72.96 -51.87 16.73 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.211 -0.596 . . . . 48.46 111.329 -175.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.4 mt -76.0 -29.8 58.3 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.527 0.565 . . . . 66.33 112.527 -171.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 mtt-85 -96.04 -0.76 50.02 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.873 0.694 . . . . 115.95 112.873 178.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 60.04 47.2 9.94 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.772 0.796 . . . . 92.0 111.102 176.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.6 mt -86.5 172.1 10.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.875 0.845 . . . . 66.89 110.501 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -82.27 152.9 26.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.32 -0.855 . . . . 121.57 109.976 174.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.5 pt -85.48 5.46 2.8 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 115.448 -0.796 . . . . 88.22 113.0 -171.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.97 -35.85 62.24 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.442 0.564 . . . . 111.1 111.582 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 p -76.82 -12.0 59.91 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.444 0.905 . . . . 90.67 113.444 -174.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.6 mt -97.81 149.58 22.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 118.816 0.735 . . . . 76.75 111.209 -173.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.7 p30 -88.75 -174.93 4.72 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.332 -0.849 . . . . 70.21 109.266 173.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -69.06 -42.53 76.13 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.186 -0.606 . . . . 99.22 111.498 -174.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -62.79 -42.37 99.68 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.142 -0.623 . . . . 86.22 111.221 177.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.37 -38.14 89.14 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.258 -0.577 . . . . 78.43 111.159 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 33' ' ' ILE . 6.9 tp -66.03 -41.35 91.05 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.084 -0.647 . . . . 86.94 110.961 176.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.766 ' O ' HG12 ' A' ' 33' ' ' ILE . 4.5 tp10 -54.85 -51.49 65.73 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.02 0.438 . . . . 99.39 110.88 175.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.96 -41.4 83.01 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.963 0.411 . . . . 53.89 110.142 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.67 -45.35 85.71 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 121.917 -0.489 . . . . 63.0 111.046 179.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.808 HG23 ' O ' ' A' ' 29' ' ' LEU . 4.0 pt -62.99 -36.35 75.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.029 0.442 . . . . 72.94 110.576 -176.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 89.9 mtp -73.06 -47.3 45.82 Favored 'General case' 0 C--O 1.237 0.444 0 O-C-N 121.856 -0.527 . . . . 72.81 111.039 -177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.75 -46.31 79.67 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-O 121.225 0.536 . . . . 52.64 110.076 176.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.5 ttt-85 -65.24 -47.76 75.64 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 121.98 -0.45 . . . . 116.56 111.124 -176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.5 tt0 -54.13 -48.58 70.65 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.004 0.431 . . . . 97.93 111.152 178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 70.8 m -68.96 -41.69 77.63 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.431 -0.507 . . . . 55.46 111.52 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.4 m -66.31 -38.88 88.74 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.165 -0.614 . . . . 41.07 111.707 -178.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -62.54 -37.7 87.11 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.892 -0.723 . . . . 95.75 110.959 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.4 t -65.92 -43.79 92.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.967 0.413 . . . . 45.8 110.386 175.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 53.8 mt -62.05 -45.36 98.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-O 121.207 0.527 . . . . 40.15 110.263 179.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -62.63 -35.81 80.77 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.342 -0.543 . . . . 71.25 111.15 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -76.33 -43.83 39.38 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 122.139 -0.35 . . . . 91.51 111.539 179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -68.29 -29.92 68.8 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.263 0.468 . . . . 59.32 112.263 -175.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.73 33.26 5.64 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 117.999 0.363 . . . . 69.23 111.474 -176.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -55.64 -48.52 74.85 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.828 0.346 . . . . 94.58 111.34 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.5 p -64.36 -40.64 96.26 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.139 -0.624 . . . . 80.12 111.262 -176.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.652 ' HB3' HD11 ' B' ' 40' ' ' LEU . 36.2 mp0 -64.51 -41.71 96.25 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.219 -0.593 . . . . 71.48 111.252 177.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -65.36 -36.0 82.68 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.178 -0.609 . . . . 36.35 111.14 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -65.19 -42.38 93.66 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.209 -0.596 . . . . 61.74 111.304 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -54.93 -45.45 74.83 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 120.111 -0.635 . . . . 49.32 110.961 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.1 mt -61.25 -49.22 85.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.395 0 CA-C-O 121.198 0.523 . . . . 32.09 110.218 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 82.6 m -62.27 -42.4 99.31 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.992 -0.443 . . . . 38.91 111.461 -177.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -61.27 -30.28 70.37 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 119.982 -0.687 . . . . 68.1 111.542 179.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -75.93 -28.3 57.93 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.149 -0.62 . . . . 48.98 112.015 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.9 pt -94.09 -11.27 9.05 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 N-CA-C 112.209 0.448 . . . . 93.26 112.209 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.2 tt -52.92 136.67 34.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.306 0.503 . . . . 67.26 110.254 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -125.24 149.73 47.71 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.141 -0.689 . . . . 86.03 109.141 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -99.83 111.36 23.69 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.615 -0.721 . . . . 120.03 109.171 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 112.69 110.622 179.507 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 mttt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.07 -0.344 . . . . 119.37 110.07 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.5 m 67.87 43.25 1.76 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.164 -0.471 . . . . 159.58 111.548 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 m -69.11 -29.82 67.97 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.074 -0.65 . . . . 97.24 111.433 175.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -115.06 114.2 25.05 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.346 -1.353 . . . . 63.91 107.346 175.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -93.61 114.63 27.01 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.431 -0.581 . . . . 50.09 109.431 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mm -54.0 -27.99 16.78 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 116.408 -0.36 . . . . 70.47 110.726 -178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -62.91 -41.45 99.46 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.055 -0.658 . . . . 74.2 110.903 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -64.66 -40.89 96.22 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.223 -0.591 . . . . 51.7 110.918 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.9 t -60.74 -45.13 98.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.2 0.524 . . . . 42.87 110.014 175.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -52.89 -53.0 55.47 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.984 0.421 . . . . 124.87 111.121 176.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -58.49 -38.68 78.13 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.336 -0.546 . . . . 55.81 111.36 -177.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.9 mt -67.7 -45.43 84.68 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 119.891 -0.723 . . . . 44.65 110.371 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.82 -43.89 96.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 O-C-N 121.843 -0.536 . . . . 34.79 110.692 -177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.9 mm -63.29 -40.37 88.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.454 0 O-C-N 121.706 -0.621 . . . . 57.39 110.426 -179.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.97 -39.26 93.73 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.104 -0.638 . . . . 72.35 110.949 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 m -65.83 -51.31 60.03 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.647 -0.421 . . . . 33.39 110.859 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.81 -46.66 74.97 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 CA-C-O 121.175 0.512 . . . . 42.29 110.264 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -74.61 -4.68 38.56 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 113.05 0.759 . . . . 52.95 113.05 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 118.542 0.61 . . . . 51.5 110.609 -179.98 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.2 ttp-105 . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 109.791 -0.448 . . . . 86.49 109.791 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -55.61 -41.72 74.92 Favored 'Trans proline' 0 C--O 1.238 0.479 0 O-C-N 122.613 0.796 . . . . 47.76 113.654 -173.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.3 p -61.28 -42.11 98.09 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.266 -0.574 . . . . 67.48 111.049 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.2 t -66.19 -38.24 81.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 C-N-CA 120.412 -0.515 . . . . 61.51 110.474 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.97 -44.82 96.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.325 -0.55 . . . . 73.14 110.472 -178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.32 -39.27 93.57 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.922 -0.711 . . . . 37.64 111.054 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.34 -33.06 74.71 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 119.926 -0.71 . . . . 32.77 111.081 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 75.8 m -72.36 -46.38 55.66 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 120.647 0.261 . . . . 32.99 111.017 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 96.5 mt -54.56 -44.56 69.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.341 0.591 . . . . 31.71 109.937 174.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.1 m -61.8 -46.56 89.03 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.031 -0.418 . . . . 31.49 111.104 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.5 tp -56.78 -48.52 77.69 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.575 -0.45 . . . . 34.93 111.049 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.9 tp -60.25 -41.68 93.7 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.372 -0.531 . . . . 34.6 111.028 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.7 t -58.95 -43.75 91.33 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.354 -0.539 . . . . 36.03 110.952 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 92.3 mt -59.47 -48.7 86.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.209 0.528 . . . . 61.2 110.191 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.7 mm -57.85 -48.7 83.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.171 0.51 . . . . 56.51 110.305 -178.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.1 mt -56.11 -43.62 76.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 C-N-CA 120.566 -0.454 . . . . 44.2 110.457 -178.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -63.7 -45.54 89.56 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.974 -0.69 . . . . 106.15 110.833 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.38 -37.52 81.02 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.308 -0.557 . . . . 61.78 111.161 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -64.68 -39.75 94.2 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.271 -0.571 . . . . 70.95 111.337 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -69.78 -30.92 68.59 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.947 -0.701 . . . . 99.2 111.759 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -69.75 -43.57 71.98 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.069 -0.652 . . . . 123.27 110.649 170.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.26 -48.63 79.08 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.777 0.322 . . . . 122.84 111.248 -179.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.69 -29.96 32.82 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.921 0.711 . . . . 128.04 112.921 -171.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 118.198 0.454 . . . . 170.57 110.825 178.213 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.912 0.387 . . . . 115.94 110.238 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 10.0 t70 54.18 21.41 3.04 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.8 -0.636 . . . . 159.69 111.565 -174.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -78.84 127.98 32.75 Favored 'General case' 0 C--O 1.235 0.311 0 N-CA-C 109.221 -0.659 . . . . 102.81 109.221 178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.6 tp -53.29 -52.38 59.29 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.56 -0.456 . . . . 64.31 111.036 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.04 -36.49 72.82 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.791 -0.364 . . . . 44.63 111.43 -177.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 28.5 tp -65.3 -45.25 85.14 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.328 -0.549 . . . . 46.3 111.155 178.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -66.55 -36.24 82.2 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.264 -0.575 . . . . 74.22 111.251 178.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -60.68 -43.96 97.07 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.434 -0.506 . . . . 39.11 111.066 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.58 -44.16 87.49 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 120.225 -0.59 . . . . 39.89 111.186 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.27 -43.43 86.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 C-N-CA 120.248 -0.581 . . . . 50.98 110.202 176.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -60.46 -43.74 96.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.362 -0.535 . . . . 45.53 111.196 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.2 tppt? -67.25 -45.71 75.9 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.298 -0.561 . . . . 59.01 110.875 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -52.9 -49.73 65.32 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 120.471 -0.492 . . . . 47.0 110.594 173.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.5 t -58.45 -31.63 67.96 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.452 -0.499 . . . . 45.0 111.7 -177.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 79.0 p -65.95 -25.16 66.99 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.96 -0.696 . . . . 44.5 111.43 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -101.49 27.21 6.49 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.18 0.437 . . . . 63.18 112.18 177.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.413 ' HB3' HG21 ' A' ' 8' ' ' ILE . 5.7 pt20 -60.66 -22.81 64.26 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.336 -0.546 . . . . 91.77 112.007 -175.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -56.67 -45.29 81.79 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.549 -0.461 . . . . 102.44 110.606 170.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -75.12 -41.05 59.31 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 122.086 -0.384 . . . . 85.11 111.484 -176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 94.9 mt -55.8 -46.89 80.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 CA-C-O 121.223 0.535 . . . . 57.65 110.307 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 49.9 mt -69.9 -44.17 78.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 O-C-N 121.887 -0.508 . . . . 70.27 110.645 -176.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 p -59.28 -44.76 92.44 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 119.944 -0.702 . . . . 84.02 110.969 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -60.84 -51.26 70.04 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.284 -0.566 . . . . 74.46 111.016 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 20.8 m -69.42 -29.05 40.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 C-N-CA 120.094 -0.642 . . . . 79.61 110.811 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -67.81 -33.4 74.73 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.114 -0.634 . . . . 93.23 111.243 174.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -75.46 -2.69 29.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.626 0.602 . . . . 113.8 112.626 172.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 118.168 0.44 . . . . 95.31 111.313 -179.992 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 CA--C 1.528 0.102 0 N-CA-C 110.087 -0.338 . . . . 91.77 110.087 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 54.0 p -109.66 162.38 14.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.707 0.765 . . . . 73.92 111.148 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -40.51 87.16 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.037 -0.983 . . . . 41.83 111.163 177.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.35 -42.4 96.26 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.471 -0.492 . . . . 43.58 111.177 -179.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -64.37 -47.02 80.84 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.891 0.377 . . . . 113.82 111.211 179.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 45.4 mt -59.72 -46.95 87.54 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.282 -0.567 . . . . 42.06 110.917 179.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' THR . . . . . . . . . . . . . 40.9 m -70.98 -27.63 63.85 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.051 -0.659 . . . . 34.76 111.569 -177.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.54 70.71 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.199 -0.6 . . . . 34.78 111.296 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.14 86.63 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.16 -0.616 . . . . 33.18 110.832 174.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -66.13 -43.33 87.43 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.621 -0.432 . . . . 80.86 111.013 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 30.2 tp -67.4 -38.28 84.43 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 120.084 -0.646 . . . . 40.52 111.015 -179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -65.61 -33.7 76.51 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 119.572 -0.851 . . . . 49.5 111.352 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.69 86.38 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.3 -0.56 . . . . 34.02 110.974 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.652 HD11 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mp -62.92 -46.63 86.89 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.632 -0.427 . . . . 58.04 110.645 174.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.03 -40.32 93.26 Favored Glycine 0 C--N 1.333 0.401 0 C-N-CA 120.148 -1.025 . . . . 34.04 112.57 175.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -59.37 -51.78 68.43 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 122.286 -0.538 . . . . 40.74 111.197 -179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -66.23 -42.19 88.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 119.916 -0.714 . . . . 101.9 110.877 -177.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 52.7 tp -57.26 -41.13 79.08 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.506 -0.478 . . . . 62.91 111.061 175.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.28 -44.79 82.55 Favored 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.12 -0.362 . . . . 46.82 111.204 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -49.65 -51.65 36.39 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.864 0.364 . . . . 56.4 111.449 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -72.11 -49.66 34.33 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.711 -0.396 . . . . 101.32 111.586 -172.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' THR . . . . . . . . . . . . . 52.5 p -75.08 -36.7 61.72 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.201 -0.6 . . . . 98.08 111.7 -168.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' MET . . . . . . . . . . . . . 35.9 mtp -127.48 0.51 6.26 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 114.374 1.25 . . . . 127.54 114.374 -167.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 13.0 m95 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 118.892 0.769 . . . . 109.57 111.12 -176.882 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_