data_4cgc_residue 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 4cgc _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.44 0.162 . . . . 111.77 110.722 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -65.26 -35.72 81.9 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.666 -0.494 . . . . 105.8 109.666 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.17 -42.91 91.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.196 -1.409 . . . . 116.64 107.196 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.85 -45.45 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.884 -0.598 . . . . 97.439999999999998 109.908 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.36 -39.18 85.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 120.353 -0.539 . . . . 113.05 111.092 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -66.47 -41.52 88.87 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.007 0.923 . . . . 114.54000000000001 111.912 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -65.62 -39.68 91.77 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.308 -0.86 . . . . 110.88 109.574 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.34 -55.64 29.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.635 -0.711 . . . . 92.049999999999997 111.058 175.353 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -68.59 -29.56 68.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.036 0.446 . . . . 97.75 110.534 -170.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -29.9 64.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.399 0.619 . . . . 80.400000000000006 109.675 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -76.02 -42.43 47.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.582 -0.735 . . . . 86.569999999999993 111.361 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . 0.813 ' OE1' ' NH2' ' C' ' 23' ' ' ARG . 5.8 mt-10 -70.82 -18.71 62.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.767 -0.373 . . . . 95.069999999999993 110.126 -178.475 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -76.29 -50.06 15.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.887 -0.597 . . . . 71.439999999999998 109.671 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -59.44 -40.17 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.831 -0.622 . . . . 110.69 111.073 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.7 -40.98 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.902 -0.59 . . . . 80.450000000000003 111.288 -175.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -64.85 -41.65 95.54 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.082 0.468 . . . . 83.099999999999994 110.113 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . 0.588 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 44.8 tp60 -63.96 -37.44 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.272 -0.876 . . . . 110.03 109.069 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.6 -42.33 78.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.911 -1.041 . . . . 100.37 110.785 178.249 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -64.87 -37.33 87.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 118.66 111.179 176.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.4 -44.47 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 87.790000000000006 110.865 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . 0.588 ' OE1' ' NE2' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -55.96 -37.53 69.15 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.371 0.878 . . . . 107.09 113.371 176.05 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MSE . . . . . . . . . . . . . 11.4 mtt -69.73 -48.14 60.54 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.578 0.704 . . . . 172.47 112.65 -179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 p -55.28 -36.18 65.85 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 122.017 -0.427 . . . . 98.790000000000006 110.278 179.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.61 -44.97 99.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.096 0.474 . . . . 109.27 110.068 176.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.2 tp -68.67 -39.28 80.67 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.426 0.899 . . . . 114.83 113.426 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -56.83 -21.84 32.02 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.736 -0.468 . . . . 108.02 109.736 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -57.95 7.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 109.025 -0.731 . . . . 98.549999999999997 109.025 171.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.712 -0.477 . . . . 97.930000000000007 109.712 179.641 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.129 -0.323 . . . . 136.40000000000001 110.129 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -42.41 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.653 0.74 . . . . 102.06999999999999 109.312 173.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.16 -30.12 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.816 -1.084 . . . . 120.72 111.564 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -61.68 -44.71 96.44 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.195 -1.78 . . . . 109.98 106.195 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -66.43 -41.75 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.569 -1.196 . . . . 94.099999999999994 113.528 -177.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 17.3 mt -55.73 -51.84 65.97 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.767 -0.827 . . . . 93.969999999999999 108.767 175.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -30.15 66.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.926 -1.034 . . . . 89.879999999999995 110.735 -168.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.79 63.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.144 -0.687 . . . . 79.510000000000005 109.144 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt -75.2 -41.05 58.64 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.568 -0.742 . . . . 89.430000000000007 112.142 179.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -16.05 62.96 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.792 -0.763 . . . . 102.59999999999999 109.391 -178.81 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -75.98 -53.18 8.78 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.436 0.636 . . . . 96.780000000000001 109.372 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' C' ' 32' ' ' GLN . 85.3 mtp180 -61.17 -39.23 89.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.586 -0.733 . . . . 110.69 112.22 -179.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.3 t -70.29 -38.24 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 86.579999999999998 108.841 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -62.01 -43.43 98.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 97.409999999999997 111.748 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -67.44 -38.45 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.473 . . . . 112.02 111.202 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -69.31 -36.87 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.483 -0.932 . . . . 89.920000000000002 108.483 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -64.57 -37.65 88.27 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.675 -0.693 . . . . 89.230000000000004 110.446 173.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.12 -47.3 62.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.952 0.723 . . . . 88.560000000000002 112.952 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.33 -38.55 71.48 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.818 -0.753 . . . . 116.98999999999999 111.684 178.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' MSE . . . . . . . . . . . . . 12.2 mmm -60.77 -45.17 95.39 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.66 0.615 . . . . 166.86000000000001 112.66 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 2.2 p -65.73 -40.68 92.42 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.243 -1.391 . . . . 86.540000000000006 107.243 -175.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -63.96 -45.18 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-N 114.577 -1.192 . . . . 84.950000000000003 112.725 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 tp -64.57 -42.67 95.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.486 -0.931 . . . . 89.700000000000003 108.486 179.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -62.76 -32.91 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.87 -0.418 . . . . 103.70999999999999 109.87 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.78 12.19 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.977 -0.556 . . . . 90.819999999999993 111.156 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 CA-C-N 115.818 -0.628 . . . . 97.0 112.45 -176.587 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 N-CA-C 111.476 0.176 . . . . 100.59999999999999 111.476 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . . . -86.96 -25.55 24.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.08 -1.081 . . . . 110.67 108.08 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . . . -67.27 -38.77 85.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.068 -0.515 . . . . 99.519999999999996 109.791 172.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.59 -48.71 78.24 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.9 -0.591 . . . . 116.14 111.531 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 39.4 t -57.84 -41.61 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.885 -0.783 . . . . 105.06 108.885 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -63.38 -44.35 94.99 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.953 -1.022 . . . . 111.29000000000001 108.818 -177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -67.09 -43.98 81.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.905 -1.043 . . . . 107.03 112.163 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ARG . . . . . 0.813 ' NH2' ' OE1' ' A' ' 28' ' ' GLU . 18.7 mtp180 -65.69 -39.77 91.61 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.287 -0.869 . . . . 110.88 108.781 -178.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -55.1 37.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.788 -1.096 . . . . 99.159999999999997 111.594 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -67.62 -30.3 69.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.616 -0.513 . . . . 101.87 109.616 -169.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.55 62.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.943 -0.571 . . . . 84.010000000000005 110.079 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mt -74.63 -42.33 58.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.206 -0.452 . . . . 84.010000000000005 110.703 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.11 -20.08 63.2 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.754 -0.461 . . . . 97.159999999999997 109.754 -177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 34.4 t -76.68 -51.1 12.13 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.912 -0.586 . . . . 98.769999999999996 110.078 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -59.83 -40.07 87.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 110.69 110.786 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.06 -40.11 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.095 0.474 . . . . 79.260000000000005 111.024 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLN . . . . . 0.537 ' OE1' ' NH2' ' B' ' 30' ' ' ARG . 65.3 tp60 -63.78 -40.01 95.64 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.424 -0.51 . . . . 109.95999999999999 110.053 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -64.21 -37.6 88.05 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.409 -0.516 . . . . 121.92 110.221 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -66.11 -40.25 90.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.844 0.354 . . . . 96.579999999999998 110.757 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -62.04 -39.12 91.26 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.2 -1.037 . . . . 103.59999999999999 108.2 -176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.68 -44.74 63.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 113.679 -1.601 . . . . 99.390000000000001 109.921 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.87 -42.77 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 117.76000000000001 110.295 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' MSE . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -58.32 9.09 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 114.536 1.31 . . . . 172.47 114.536 177.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 32.8 p -55.65 -36.93 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.189 0.44 . . . . 101.38 112.189 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.37 -43.95 98.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 116.336 -0.393 . . . . 96.719999999999999 111.497 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' LEU . . . . . . . . . . . . . 19.8 tp -64.76 -46.87 80.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.018 -0.537 . . . . 114.73999999999999 111.268 177.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -59.37 -33.23 70.92 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.45 -1.315 . . . . 101.73999999999999 107.45 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.5 -56.76 8.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.371 -0.831 . . . . 98.090000000000003 110.424 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 113.749 1.018 . . . . 93.260000000000005 113.749 -177.32 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.44 0.162 . . . . 111.77 110.722 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -65.26 -35.72 81.9 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.666 -0.494 . . . . 105.8 109.666 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.17 -42.91 91.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.196 -1.409 . . . . 116.64 107.196 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.85 -45.45 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.884 -0.598 . . . . 97.44 109.908 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.36 -39.18 85.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 120.353 -0.539 . . . . 113.05 111.092 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -66.47 -41.52 88.87 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.007 0.923 . . . . 114.54 111.912 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -65.62 -39.68 91.77 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.308 -0.86 . . . . 110.88 109.574 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -55.34 -55.64 29.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.635 -0.711 . . . . 92.05 111.058 175.353 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -68.59 -29.56 68.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.036 0.446 . . . . 97.75 110.534 -170.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -29.9 64.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.399 0.619 . . . . 80.4 109.675 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -76.02 -42.43 47.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.582 -0.735 . . . . 86.57 111.361 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.807 ' OE1' ' NH2' ' C' ' 23' ' ' ARG . 5.8 mt-10 -70.82 -18.71 62.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.767 -0.373 . . . . 95.07 110.126 -178.475 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -76.29 -50.06 15.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.887 -0.597 . . . . 71.44 109.671 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -59.44 -40.17 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.831 -0.622 . . . . 110.69 111.073 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.7 -40.98 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.902 -0.59 . . . . 80.45 111.288 -175.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -64.85 -41.65 95.54 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.082 0.468 . . . . 83.1 110.113 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . 0.573 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 44.8 tp60 -63.96 -37.44 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.272 -0.876 . . . . 110.03 109.069 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . 0.517 ' OE1' ' HG3' ' B' ' 38' ' ' MSE . 0.4 OUTLIER -68.6 -42.33 78.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.911 -1.041 . . . . 100.37 110.785 178.249 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 39' ' ' THR . 5.3 tt0 -64.87 -37.33 87.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 118.66 111.179 176.469 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.4 -44.47 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 87.79 110.865 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . 0.689 ' HG2' ' HE2' ' B' ' 38' ' ' MSE . 0.2 OUTLIER -55.96 -37.53 69.15 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.371 0.878 . . . . 107.09 113.371 176.05 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MSE . . . . . 0.445 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 11.4 mtt -69.73 -48.14 60.54 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.578 0.704 . . . . 172.47 112.65 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 35' ' ' GLU . 34.1 p -55.28 -36.18 65.85 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 122.017 -0.427 . . . . 98.79 110.278 179.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.61 -44.97 99.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.096 0.474 . . . . 109.27 110.068 176.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD21 HD21 ' C' ' 41' ' ' LEU . 44.2 tp -68.67 -39.28 80.67 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.426 0.899 . . . . 114.83 113.426 178.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -56.83 -21.84 32.02 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.736 -0.468 . . . . 108.02 109.736 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -57.95 7.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 109.025 -0.731 . . . . 98.55 109.025 171.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.712 -0.477 . . . . 97.93 109.712 179.641 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.129 -0.323 . . . . 136.4 110.129 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' B' ' 23' ' ' ARG . 1.0 OUTLIER -62.58 -42.41 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.653 0.74 . . . . 102.07 109.312 173.307 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.16 -30.12 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.816 -1.084 . . . . 120.72 111.564 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -61.68 -44.71 96.44 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.195 -1.78 . . . . 109.98 106.195 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 21.8 mtp180 -66.43 -41.75 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.569 -1.196 . . . . 94.1 113.528 -177.856 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 28' ' ' GLU . 17.3 mt -55.73 -51.84 65.97 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.767 -0.827 . . . . 93.97 108.767 175.055 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -30.15 66.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.926 -1.034 . . . . 89.88 110.735 -168.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.79 63.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.144 -0.687 . . . . 79.51 109.144 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . 0.531 HD11 ' HG2' ' C' ' 28' ' ' GLU . 9.9 mt -75.2 -41.05 58.64 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.568 -0.742 . . . . 89.43 112.142 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 24' ' ' LEU . 0.0 OUTLIER -70.31 -16.05 62.96 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.792 -0.763 . . . . 102.6 109.391 -178.81 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -75.98 -53.18 8.78 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.436 0.636 . . . . 96.78 109.372 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' C' ' 32' ' ' GLN . 85.3 mtp180 -61.17 -39.23 89.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.586 -0.733 . . . . 110.69 112.22 -179.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.3 t -70.29 -38.24 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 86.58 108.841 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -62.01 -43.43 98.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 97.41 111.748 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -67.44 -38.45 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.473 . . . . 112.02 111.202 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLN . . . . . 0.425 ' NE2' ' HG3' ' C' ' 35' ' ' GLU . 89.0 mm-40 -69.31 -36.87 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.483 -0.932 . . . . 89.92 108.483 177.583 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 39' ' ' THR . 8.8 mt-10 -64.57 -37.65 88.27 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.675 -0.693 . . . . 89.23 110.446 173.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.12 -47.3 62.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.952 0.723 . . . . 88.56 112.952 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.33 -38.55 71.48 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.818 -0.753 . . . . 116.99 111.684 178.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' MSE . . . . . 0.689 ' HE2' ' HG2' ' A' ' 37' ' ' GLU . 12.2 mmm -60.77 -45.17 95.39 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.66 0.615 . . . . 166.86 112.66 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 35' ' ' GLU . 2.2 p -65.73 -40.68 92.42 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.243 -1.391 . . . . 86.54 107.243 -175.11 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -63.96 -45.18 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-N 114.577 -1.192 . . . . 84.95 112.725 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LEU . . . . . 0.589 HD22 ' HE1' ' C' ' 38' ' ' MSE . 4.9 tp -64.57 -42.67 95.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.486 -0.931 . . . . 89.7 108.486 179.773 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -62.76 -32.91 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.87 -0.418 . . . . 103.71 109.87 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.78 12.19 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.977 -0.556 . . . . 90.82 111.156 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 CA-C-N 115.818 -0.628 . . . . 97.0 112.45 -176.587 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 N-CA-C 111.476 0.176 . . . . 100.6 111.476 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 17' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' C' ' 21' ' ' GLN . . . -86.96 -25.55 24.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.08 -1.081 . . . . 110.67 108.08 172.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . . . -67.27 -38.77 85.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.068 -0.515 . . . . 99.52 109.791 172.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.59 -48.71 78.24 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.9 -0.591 . . . . 116.14 111.531 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 39.4 t -57.84 -41.61 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.885 -0.783 . . . . 105.06 108.885 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' C' ' 17' ' ' THR . 9.2 tp60 -63.38 -44.35 94.99 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.953 -1.022 . . . . 111.29 108.818 -177.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -67.09 -43.98 81.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.905 -1.043 . . . . 107.03 112.163 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ARG . . . . . 0.807 ' NH2' ' OE1' ' A' ' 28' ' ' GLU . 18.7 mtp180 -65.69 -39.77 91.61 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.287 -0.869 . . . . 110.88 108.781 -178.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' C' ' 28' ' ' GLU . 0.1 OUTLIER -56.21 -55.1 37.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.788 -1.096 . . . . 99.16 111.594 175.724 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -67.62 -30.3 69.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.616 -0.513 . . . . 101.87 109.616 -169.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.55 62.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.943 -0.571 . . . . 84.01 110.079 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mt -74.63 -42.33 58.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.206 -0.452 . . . . 84.01 110.703 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' C' ' 24' ' ' LEU . 5.2 mt-10 -70.11 -20.08 63.2 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.754 -0.461 . . . . 97.16 109.754 -177.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 34.4 t -76.68 -51.1 12.13 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.912 -0.586 . . . . 98.77 110.078 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -59.83 -40.07 87.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 110.69 110.786 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.06 -40.11 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.095 0.474 . . . . 79.26 111.024 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLN . . . . . 0.537 ' OE1' ' NH2' ' B' ' 30' ' ' ARG . 65.3 tp60 -63.78 -40.01 95.64 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.424 -0.51 . . . . 109.96 110.053 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -64.21 -37.6 88.05 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.409 -0.516 . . . . 121.92 110.221 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -66.11 -40.25 90.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.844 0.354 . . . . 101.69 110.757 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' NE2' ' B' ' 34' ' ' GLN . 2.0 tt0 -62.04 -39.12 91.26 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.2 -1.037 . . . . 103.6 108.2 -176.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.68 -44.74 63.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 113.679 -1.601 . . . . 99.39 109.921 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.87 -42.77 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 117.76 110.295 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' MSE . . . . . 0.589 ' HE1' HD22 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -58.73 -58.32 9.09 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 114.536 1.31 . . . . 172.47 114.536 177.911 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 32.8 p -55.65 -36.93 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.189 0.44 . . . . 101.38 112.189 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.37 -43.95 98.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 116.336 -0.393 . . . . 96.72 111.497 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 41' ' ' LEU . 19.8 tp -64.76 -46.87 80.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.018 -0.537 . . . . 114.74 111.268 177.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -59.37 -33.23 70.92 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.45 -1.315 . . . . 101.74 107.45 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.5 -56.76 8.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.371 -0.831 . . . . 98.09 110.424 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 113.749 1.018 . . . . 93.26 113.749 -177.32 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.44 0.162 . . . . 111.77 110.722 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.2 t -65.26 -35.72 81.9 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.666 -0.494 . . . . 105.8 109.666 172.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -59.17 -42.91 91.91 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 107.196 -1.409 . . . . 116.64 107.196 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.85 -45.45 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-N 115.884 -0.598 . . . . 97.439999999999998 109.908 174.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -67.36 -39.18 85.7 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 120.353 -0.539 . . . . 113.05 111.092 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -66.47 -41.52 88.87 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.007 0.923 . . . . 114.54000000000001 111.912 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -65.62 -39.68 91.77 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.308 -0.86 . . . . 110.88 109.574 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 ' O ' ' HG3' ' A' ' 28' ' ' GLU . 0.2 OUTLIER -55.34 -55.64 29.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.635 -0.711 . . . . 92.049999999999997 111.058 175.353 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -68.59 -29.56 68.11 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.036 0.446 . . . . 97.75 110.534 -170.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -29.9 64.02 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.399 0.619 . . . . 80.400000000000006 109.675 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.2 mt -76.02 -42.43 47.91 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.582 -0.735 . . . . 86.569999999999993 111.361 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.807 ' OE1' ' NH2' ' C' ' 23' ' ' ARG . 5.8 mt-10 -70.82 -18.71 62.72 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.767 -0.373 . . . . 95.069999999999993 110.126 -178.475 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.2 t -76.29 -50.06 15.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.887 -0.597 . . . . 71.439999999999998 109.671 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -59.44 -40.17 85.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.831 -0.622 . . . . 110.69 111.073 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.7 -40.98 79.91 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-N 115.902 -0.59 . . . . 80.450000000000003 111.288 -175.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -64.85 -41.65 95.54 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 121.082 0.468 . . . . 83.099999999999994 110.113 177.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.573 ' NE2' ' OE1' ' A' ' 37' ' ' GLU . 44.8 tp60 -63.96 -37.44 87.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.272 -0.876 . . . . 110.03 109.069 178.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.517 ' OE1' ' HG3' ' B' ' 38' ' ' MSE . 0.4 OUTLIER -68.6 -42.33 78.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.911 -1.041 . . . . 100.37 110.785 178.249 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' HG23 ' A' ' 39' ' ' THR . 5.3 tt0 -64.87 -37.33 87.27 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.942 -0.572 . . . . 118.66 111.179 176.469 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -66.4 -44.47 82.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 87.790000000000006 110.865 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.689 ' HG2' ' HE2' ' B' ' 38' ' ' MSE . 0.2 OUTLIER -55.96 -37.53 69.15 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.371 0.878 . . . . 107.09 113.371 176.05 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MSE . . . . . 0.445 ' HG3' ' O ' ' A' ' 34' ' ' GLN . 11.4 mtt -69.73 -48.14 60.54 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.578 0.704 . . . . 172.47 112.65 -179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' O ' ' A' ' 35' ' ' GLU . 34.1 p -55.28 -36.18 65.85 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 122.017 -0.427 . . . . 98.790000000000006 110.278 179.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.61 -44.97 99.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.096 0.474 . . . . 109.27 110.068 176.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.58 HD21 HD21 ' C' ' 41' ' ' LEU . 44.2 tp -68.67 -39.28 80.67 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.426 0.899 . . . . 114.83 113.426 178.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -56.83 -21.84 32.02 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.736 -0.468 . . . . 108.02 109.736 179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.63 -57.95 7.66 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 109.025 -0.731 . . . . 98.549999999999997 109.025 171.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.547 0 N-CA-C 109.712 -0.477 . . . . 97.930000000000007 109.712 179.641 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 . . . . . 0 N--CA 1.472 0.653 0 N-CA-C 110.129 -0.323 . . . . 136.40000000000001 110.129 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.421 ' O ' ' HB2' ' B' ' 23' ' ' ARG . 1.0 OUTLIER -62.58 -42.41 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.292 0 CA-C-O 121.653 0.74 . . . . 102.06999999999999 109.312 173.307 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -62.16 -30.12 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.816 -1.084 . . . . 120.72 111.564 -175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -61.68 -44.71 96.44 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.195 -1.78 . . . . 109.98 106.195 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' B' ' 20' ' ' VAL . 21.8 mtp180 -66.43 -41.75 88.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.569 -1.196 . . . . 94.099999999999994 113.528 -177.856 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' B' ' 28' ' ' GLU . 17.3 mt -55.73 -51.84 65.97 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 108.767 -0.827 . . . . 93.969999999999999 108.767 175.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.59 -30.15 66.75 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 114.926 -1.034 . . . . 89.879999999999995 110.735 -168.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.7 -28.79 63.95 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.144 -0.687 . . . . 79.510000000000005 109.144 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.531 HD11 ' HG2' ' C' ' 28' ' ' GLU . 9.9 mt -75.2 -41.05 58.64 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.568 -0.742 . . . . 89.430000000000007 112.142 179.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' B' ' 24' ' ' LEU . 0.0 OUTLIER -70.31 -16.05 62.96 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.792 -0.763 . . . . 102.59999999999999 109.391 -178.81 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.9 m -75.98 -53.18 8.78 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 121.436 0.636 . . . . 96.780000000000001 109.372 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' C' ' 32' ' ' GLN . 85.3 mtp180 -61.17 -39.23 89.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.586 -0.733 . . . . 110.69 112.22 -179.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.3 t -70.29 -38.24 73.71 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 N-CA-C 108.841 -0.8 . . . . 86.579999999999998 108.841 -177.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -62.01 -43.43 98.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 97.409999999999997 111.748 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -67.44 -38.45 84.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.092 0.473 . . . . 112.02 111.202 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.425 ' NE2' ' HG3' ' C' ' 35' ' ' GLU . 89.0 mm-40 -69.31 -36.87 77.43 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.483 -0.932 . . . . 89.920000000000002 108.483 177.583 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 39' ' ' THR . 8.8 mt-10 -64.57 -37.65 88.27 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 115.675 -0.693 . . . . 89.230000000000004 110.446 173.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -70.12 -47.3 62.33 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 112.952 0.723 . . . . 88.560000000000002 112.952 177.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -56.33 -38.55 71.48 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 119.818 -0.753 . . . . 116.98999999999999 111.684 178.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' MSE . . . . . 0.689 ' HE2' ' HG2' ' A' ' 37' ' ' GLU . 12.2 mmm -60.77 -45.17 95.39 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 112.66 0.615 . . . . 166.86000000000001 112.66 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 35' ' ' GLU . 2.2 p -65.73 -40.68 92.42 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 107.243 -1.391 . . . . 86.540000000000006 107.243 -175.11 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -63.96 -45.18 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.453 0 CA-C-N 114.577 -1.192 . . . . 84.950000000000003 112.725 179.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.589 HD22 ' HE1' ' C' ' 38' ' ' MSE . 4.9 tp -64.57 -42.67 95.49 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.486 -0.931 . . . . 89.700000000000003 108.486 179.773 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -62.76 -32.91 74.14 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.87 -0.418 . . . . 103.70999999999999 109.87 178.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.71 -54.78 12.19 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.977 -0.556 . . . . 90.819999999999993 111.156 174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 CA-C-N 115.818 -0.628 . . . . 97.0 112.45 -176.587 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.218 0 N-CA-C 111.476 0.176 . . . . 100.59999999999999 111.476 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' C' ' 21' ' ' GLN . . . -86.96 -25.55 24.27 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.08 -1.081 . . . . 110.67 108.08 172.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' SER . . . . . . . . . . . . . . . -67.27 -38.77 85.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.068 -0.515 . . . . 99.519999999999996 109.791 172.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -62.59 -48.71 78.24 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.9 -0.591 . . . . 116.14 111.531 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 39.4 t -57.84 -41.61 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 108.885 -0.783 . . . . 105.06 108.885 175.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' C' ' 17' ' ' THR . 9.2 tp60 -63.38 -44.35 94.99 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.953 -1.022 . . . . 111.29000000000001 108.818 -177.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -67.09 -43.98 81.16 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 114.905 -1.043 . . . . 107.03 112.163 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.807 ' NH2' ' OE1' ' A' ' 28' ' ' GLU . 18.7 mtp180 -65.69 -39.77 91.61 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.287 -0.869 . . . . 110.88 108.781 -178.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.611 ' O ' ' HG3' ' C' ' 28' ' ' GLU . 0.1 OUTLIER -56.21 -55.1 37.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.788 -1.096 . . . . 99.159999999999997 111.594 175.724 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 3.2 t -67.62 -30.3 69.85 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.616 -0.513 . . . . 101.87 109.616 -169.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.55 62.52 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.943 -0.571 . . . . 84.010000000000005 110.079 179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 mt -74.63 -42.33 58.76 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.206 -0.452 . . . . 84.010000000000005 110.703 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' GLU . . . . . 0.611 ' HG3' ' O ' ' C' ' 24' ' ' LEU . 5.2 mt-10 -70.11 -20.08 63.2 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.754 -0.461 . . . . 97.159999999999997 109.754 -177.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 34.4 t -76.68 -51.1 12.13 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.912 -0.586 . . . . 98.769999999999996 110.078 175.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -59.83 -40.07 87.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 110.69 110.786 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -70.06 -40.11 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 121.095 0.474 . . . . 79.260000000000005 111.024 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLN . . . . . 0.537 ' OE1' ' NH2' ' B' ' 30' ' ' ARG . 65.3 tp60 -63.78 -40.01 95.64 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.424 -0.51 . . . . 109.95999999999999 110.053 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -64.21 -37.6 88.05 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.409 -0.516 . . . . 121.92 110.221 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -66.11 -40.25 90.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.844 0.354 . . . . 101.69 110.757 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLU . . . . . 0.425 ' HG3' ' NE2' ' B' ' 34' ' ' GLN . 2.0 tt0 -62.04 -39.12 91.26 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.2 -1.037 . . . . 103.59999999999999 108.2 -176.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -71.68 -44.74 63.72 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 113.679 -1.601 . . . . 99.390000000000001 109.921 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -54.87 -42.77 72.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 117.76000000000001 110.295 176.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' MSE . . . . . 0.589 ' HE1' HD22 ' B' ' 41' ' ' LEU . 0.0 OUTLIER -58.73 -58.32 9.09 Favored 'General case' 0 C--N 1.33 -0.283 0 N-CA-C 114.536 1.31 . . . . 172.47 114.536 177.911 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 32.8 p -55.65 -36.93 67.6 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.189 0.44 . . . . 101.38 112.189 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.37 -43.95 98.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-N 116.336 -0.393 . . . . 96.719999999999999 111.497 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 41' ' ' LEU . 19.8 tp -64.76 -46.87 80.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.018 -0.537 . . . . 114.73999999999999 111.268 177.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -59.37 -33.23 70.92 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 107.45 -1.315 . . . . 101.73999999999999 107.45 -178.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.5 -56.76 8.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.371 -0.831 . . . . 98.090000000000003 110.424 171.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 113.749 1.018 . . . . 93.260000000000005 113.749 -177.32 . . . . . . . . 0 0 . 1 stop_ save_