data_3vie_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 3vie _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 ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 . . . . . . . . 27.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 m -68.29 -39.28 82.13 Favored 'General case' 0 CA--C 1.5 -0.967 1 O-C-N 115.089 -4.757 . . . . 60.51 112.303 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.87 -39.46 97.54 Favored Glycine 0 C--O 1.269 2.285 0 C-N-CA 117.832 -2.127 . . . . 32.81 112.569 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.86 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 CA-C-O 121.219 0.533 . . . . 40.34 110.958 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.38 -35.52 52.16 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 CA-C-O 122.963 1.363 . . . . 25.97 111.406 -177.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -66.63 -36.05 81.65 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.474 -0.785 . . . . 62.32 109.493 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . 0.652 ' HG3' ' OE1' ' E' ' 41' ' ' GLN . 5.5 tp60 -67.2 -37.29 83.39 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.688 -0.856 . . . . 30.03 108.688 178.222 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.42 -37.53 87.65 Favored 'General case' 0 C--O 1.261 1.7 0 CA-C-O 122.408 1.099 . . . . 26.37 111.382 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.06 -44.4 95.92 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 121.134 -0.979 . . . . 61.94 109.352 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . 0.486 ' HA ' HH11 ' A' ' 46' ' ' ARG . 95.1 m-20 -54.96 -51.6 65.65 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 122.324 1.059 . . . . 40.92 110.074 176.296 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.3 mt -67.06 -41.54 86.3 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.924 -1.11 . . . . 35.87 110.865 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.52 -44.84 85.37 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.143 -0.973 . . . . 23.89 111.768 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.486 HH11 ' HA ' ' A' ' 43' ' ' ASN . 20.1 mtp180 -65.87 -32.69 74.35 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.84 0.829 . . . . 48.0 109.289 179.397 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.6 78.52 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 108.456 -0.942 . . . . 22.31 108.456 -176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.7 -38.35 82.08 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 CA-C-O 122.049 0.928 . . . . 28.52 109.496 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -63.44 -42.02 98.66 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 118.796 -1.162 . . . . 46.2 111.121 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.66 75.15 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.055 -1.461 . . . . 23.59 107.055 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -64.57 -34.69 78.85 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 118.114 -1.434 . . . . 29.93 111.001 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . 0.527 ' HB2' HE22 ' C' ' 51' ' ' GLN . 40.8 tp60 -63.72 -39.82 95.23 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 118.96 -1.096 . . . . 33.61 110.347 177.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.41 -44.12 97.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 118.535 -1.266 . . . . 72.12 109.583 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.5 -44.06 93.21 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.459 -0.896 . . . . 39.16 111.023 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 HD22 ' HB2' ' C' ' 54' ' ' LEU . 14.2 tp -61.37 -38.71 87.98 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.791 -0.818 . . . . 67.72 108.791 179.688 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLN . . . . . 0.411 HE22 ' NE2' ' A' ' 52' ' ' GLN . 79.9 mm-40 -72.48 -29.6 63.78 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 116.066 -2.254 . . . . 45.55 111.082 -179.089 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.43 -40.88 96.59 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.547 -0.861 . . . . 27.37 110.025 171.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.3 p -66.47 -36.23 82.25 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.229 -1.789 . . . . 21.59 108.678 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.84 -40.37 88.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.22 0 O-C-N 120.729 -1.232 . . . . 23.32 110.229 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.8 -42.2 99.61 Favored 'General case' 0 C--O 1.264 1.818 0 N-CA-C 108.694 -0.854 . . . . 31.0 108.694 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.97 -43.25 97.7 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.825 -1.31 . . . . 22.54 109.825 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.1 mt -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 O-C-N 120.938 -1.331 . . . . 22.67 110.604 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.63 -38.0 88.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 118.823 -1.151 . . . . 63.37 111.026 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.23 -43.84 87.93 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.945 -0.702 . . . . 44.44 111.092 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 69' ' ' ILE . 78.1 mt -77.73 -34.19 52.7 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.874 -0.731 . . . . 38.45 110.966 -175.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . 0.815 ' NE2' ' CD1' ' B' ' 117' ' ' TRP . 0.0 OUTLIER -57.27 -47.31 81.77 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.848 -1.167 . . . . 65.27 107.848 175.332 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.09 97.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.426 0.691 . . . . 47.56 111.296 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.0 mmt-85 -61.67 -56.96 14.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.875 0.369 . . . . 71.4 110.71 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . 0.611 HD11 HD11 ' C' ' 69' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 109.383 -0.599 . . . . 76.39 109.383 -176.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.227 . . . . . . . . 41.08 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' SER . . . . . 0.409 ' O ' ' HB2' ' C' ' 39' ' ' GLN . 7.5 m -62.8 -44.37 96.33 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 127.343 2.902 . . . . 56.47 110.848 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.69 98.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.029 0.772 . . . . 60.28 115.029 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mt -68.27 -44.01 84.19 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 118.866 1.333 . . . . 37.7 112.243 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.63 -34.13 51.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 109.68 -0.489 . . . . 37.92 109.68 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' C' ' 35' ' ' SER . 61.8 tt0 -67.44 -37.26 82.72 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.421 -0.585 . . . . 45.22 109.421 174.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.91 -33.93 75.64 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 118.803 -1.159 . . . . 23.88 109.098 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' GLN . . . . . 0.891 ' OE1' ' NE2' ' E' ' 41' ' ' GLN . 92.7 mt-30 -59.95 -44.6 94.29 Favored 'General case' 0 C--O 1.194 -1.853 0 C-N-CA 117.12 -1.832 . . . . 21.86 111.122 176.943 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -62.37 -41.01 98.29 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 118.927 -1.109 . . . . 37.49 111.116 174.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ASN . . . . . 0.422 ' HB3' ' HG ' ' B' ' 138' ' ' SER . 98.5 m-20 -59.96 -47.32 86.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.056 0.931 . . . . 25.91 110.128 179.95 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.56 -40.08 84.92 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.56 -0.856 . . . . 31.6 109.311 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.08 -44.22 87.44 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-O 121.306 0.574 . . . . 27.29 111.262 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ARG . . . . . 0.466 ' NH2' HH12 ' B' ' 133' ' ' ARG . 53.6 mtp180 -66.82 -34.8 78.61 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.278 -0.969 . . . . 75.2 111.133 179.892 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.02 92.59 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.681 -1.229 . . . . 21.68 107.681 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ILE . . . . . 0.439 HG23 ' OE1' ' E' ' 51' ' ' GLN . 59.4 mt -67.42 -41.67 86.44 Favored 'Isoleucine or valine' 0 C--O 1.293 3.382 0 C-N-CA 118.883 -1.127 . . . . 33.23 107.991 -175.477 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -57.85 -42.8 85.2 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.046 -0.979 . . . . 69.18 113.255 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.75 84.66 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.47 -0.567 . . . . 28.46 109.47 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' GLN . . . . . 0.609 ' HG3' HD13 ' B' ' 131' ' ' ILE . 4.0 mt-30 -65.37 -33.82 76.86 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 108.115 -1.069 . . . . 54.65 108.115 179.076 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' GLN . . . . . 0.654 HE22 HE22 ' C' ' 56' ' ' GLN . 47.4 tp60 -65.12 -39.64 93.36 Favored 'General case' 0 C--O 1.264 1.841 0 C-N-CA 119.288 -0.965 . . . . 31.43 108.554 178.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' HIS . . . . . 0.646 ' CE1' ' HH ' ' B' ' 127' ' ' TYR . 48.1 m-70 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.517 -0.74 . . . . 47.72 110.943 176.289 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' LEU . . . . . 0.469 ' HB2' HD22 ' A' ' 55' ' ' LEU . 76.0 mt -62.5 -42.12 99.28 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.39 0.614 . . . . 36.98 112.268 176.61 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 mt -62.19 -42.73 99.56 Favored 'General case' 0 CA--C 1.576 1.978 0 O-C-N 121.311 -0.868 . . . . 35.99 110.327 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' GLN . . . . . 0.728 ' OE1' ' O ' ' C' ' 91' ' ' HOH . 48.0 mm-40 -61.02 -37.46 82.63 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.924 -1.11 . . . . 69.03 109.07 178.428 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.1 -41.91 89.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 120.189 -0.604 . . . . 29.42 112.284 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 51.0 p -65.29 -37.99 88.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 117.93 -1.508 . . . . 25.19 110.533 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.09 -42.26 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 118.267 -1.373 . . . . 27.32 110.477 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -59.77 -45.95 90.68 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.075 0.941 . . . . 37.77 109.554 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.91 99.91 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.655 -0.978 . . . . 24.77 110.655 -177.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.2 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 O-C-N 121.0 -1.294 . . . . 27.91 111.316 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -67.82 -36.11 79.79 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.876 -0.787 . . . . 49.0 108.876 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.52 -45.26 91.44 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.286 -0.566 . . . . 47.99 110.906 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.54 -40.38 89.06 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 120.997 0.427 . . . . 39.25 111.869 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' GLN . . . . . 0.478 ' O ' ' HG ' ' C' ' 70' ' ' LEU . 26.3 tt0 -57.73 -40.85 80.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.631 0.729 . . . . 60.77 109.481 -176.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.46 72.64 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 122.98 1.371 . . . . 41.31 109.931 -174.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' ARG . . . . . 0.402 ' NH1' ' O ' ' C' ' 73' ' ' HOH . 0.0 OUTLIER -87.63 -44.55 11.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 123.107 1.432 . . . . 104.51 110.963 -174.786 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' ILE . . . . . 0.626 HG12 HD11 ' E' ' 69' ' ' ILE . 97.5 mt -73.8 -28.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 O-C-N 121.104 -0.997 . . . . 66.2 112.691 -171.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' LEU . . . . . 0.497 HD23 ' N ' ' C' ' 70' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.249 0 O-C-N 121.621 -0.675 . . . . 88.65 112.683 171.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.371 . . . . . . . . 40.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -43.51 70.5 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 117.139 -3.476 . . . . 67.53 112.916 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.09 -30.27 69.94 Favored Glycine 0 C--O 1.266 2.11 0 C-N-CA 118.796 -1.669 . . . . 30.58 109.04 -173.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 37' ' ' ILE . . . . . 0.44 HG23 ' NE2' ' C' ' 41' ' ' GLN . 19.4 mt -74.01 -46.24 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.245 -0.582 . . . . 57.71 110.246 177.568 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 38' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.96 -38.37 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 119.202 -0.999 . . . . 23.99 112.468 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -65.14 -39.22 92.72 Favored 'General case' 0 C--O 1.271 2.215 0 CA-C-O 122.491 1.138 . . . . 42.62 109.405 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 40' ' ' GLN . . . . . 0.541 ' HB2' ' HG2' ' D' ' 141' ' ' GLN . 6.1 tp60 -73.39 -28.0 61.77 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.837 -1.074 . . . . 29.15 110.743 179.275 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 41' ' ' GLN . . . . . 0.891 ' NE2' ' OE1' ' C' ' 41' ' ' GLN . 93.2 mt-30 -60.86 -38.58 86.06 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 116.767 -1.973 . . . . 28.07 111.513 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 42' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -67.17 -39.5 86.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 115.825 -2.35 . . . . 35.68 109.086 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 43' ' ' ASN . . . . . 0.517 ' ND2' ' OE1' ' D' ' 141' ' ' GLN . 56.7 m-80 -63.2 -43.23 98.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.045 -1.062 . . . . 77.44 113.193 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.69 -39.44 93.99 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.205 -0.598 . . . . 30.34 110.236 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 45' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.15 -42.52 99.33 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 119.675 -0.81 . . . . 29.04 110.826 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -63.02 -39.26 94.21 Favored 'General case' 0 C--O 1.263 1.806 0 O-C-N 121.543 -0.723 . . . . 67.07 110.515 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.09 90.89 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.343 -0.943 . . . . 26.61 108.898 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.7 -39.61 84.15 Favored 'Isoleucine or valine' 0 C--O 1.275 2.395 0 CA-C-O 122.844 1.306 . . . . 26.91 109.94 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -59.97 -44.93 94.15 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.366 -0.834 . . . . 50.22 111.36 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.36 83.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.797 -0.761 . . . . 22.88 109.137 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 51' ' ' GLN . . . . . 0.439 ' OE1' HG23 ' C' ' 48' ' ' ILE . 86.4 mt-30 -63.79 -32.5 74.03 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.22 -0.659 . . . . 32.06 109.22 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -67.39 -43.82 80.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.807 -1.182 . . . . 29.85 107.807 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 53' ' ' HIS . . . . . 0.66 ' HD2' ' HH ' ' D' ' 127' ' ' TYR . 42.2 m-70 -66.69 -31.3 71.88 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.057 1.408 . . . . 40.5 111.777 173.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 54' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.92 -43.29 99.19 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.103 0.954 . . . . 43.39 111.096 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.91 -39.65 92.73 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 121.017 -1.052 . . . . 33.24 110.589 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 56' ' ' GLN . . . . . 0.538 ' NE2' ' OH ' ' F' ' 132' ' ' TYR . 79.6 mm-40 -69.03 -32.55 72.15 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 120.528 -1.357 . . . . 34.78 108.652 176.87 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.82 -37.71 85.04 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 119.021 -1.071 . . . . 29.1 110.612 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 58' ' ' THR . . . . . . . . . . . . . 79.3 p -69.63 -34.13 73.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 116.89 -1.924 . . . . 21.41 109.876 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.26 -40.97 86.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 O-C-N 121.339 -0.851 . . . . 22.23 109.698 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 60' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -61.31 -42.05 98.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.969 -1.492 . . . . 31.79 108.857 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.5 96.2 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 118.271 -1.919 . . . . 22.76 112.174 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.63 -41.05 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.659 -1.495 . . . . 23.78 110.574 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -61.58 -42.38 98.77 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 121.972 -0.455 . . . . 48.23 111.118 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -57.46 -50.68 72.26 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.496 -0.881 . . . . 47.35 111.658 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.35 -41.35 98.51 Favored 'General case' 0 C--O 1.258 1.511 0 CA-C-O 121.767 0.794 . . . . 34.26 112.46 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.85 -40.3 92.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.9 -0.5 . . . . 45.89 110.455 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.57 75.79 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.079 -0.712 . . . . 35.12 109.079 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -76.45 -30.35 57.32 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 120.327 -0.549 . . . . 46.75 111.106 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 69' ' ' ILE . . . . . 0.626 HD11 HG12 ' C' ' 69' ' ' ILE . 37.7 mm -84.94 -47.68 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.547 0 N-CA-C 115.059 1.503 . . . . 53.6 115.059 -178.593 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 N--CA 1.443 -0.79 0 O-C-N 121.225 -0.922 . . . . 55.86 108.868 -171.423 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 . . . . . . . . 48.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . 0.273 73.4 p -67.71 -26.53 66.21 Favored 'General case' 0 C--O 1.178 -2.695 2 C-N-CA 86.771 -13.972 . . . . 76.65 112.648 . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' TRP . . . . . 0.815 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -66.83 -34.21 77.3 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 123.777 2.989 . . . . 44.2 111.622 174.75 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.69 -38.39 90.19 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.566 -0.531 . . . . 90.89 109.566 172.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 55.3 m -70.13 -42.52 72.49 Favored 'General case' 0 C--O 1.266 1.966 0 CA-C-O 121.983 0.897 . . . . 46.91 109.816 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -56.73 -48.21 78.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.453 -1.249 . . . . 32.17 110.715 174.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.26 -40.39 81.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.487 1.137 . . . . 69.82 111.25 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -65.48 -39.16 91.61 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.136 -1.025 . . . . 98.6 111.734 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' GLU . . . . . 0.742 ' OE1' ' O ' ' B' ' 53' ' ' HOH . 49.9 mm-40 -70.96 -41.82 70.58 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 118.835 -1.146 . . . . 48.51 108.422 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 31.9 mm -53.46 -46.79 59.53 Favored 'Isoleucine or valine' 0 C--O 1.286 2.994 0 C-N-CA 119.008 -1.077 . . . . 29.96 112.633 172.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.51 -44.25 96.82 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 120.708 -1.245 . . . . 50.08 109.893 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -63.33 -50.23 70.84 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.534 0.683 . . . . 37.45 111.483 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' TYR . . . . . 0.646 ' HH ' ' CE1' ' C' ' 53' ' ' HIS . 59.1 m-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 118.977 -1.089 . . . . 53.19 112.782 -178.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 94.2 m -62.02 -44.77 96.01 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 121.828 0.823 . . . . 29.21 109.126 176.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -59.71 -44.35 93.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 120.969 -1.082 . . . . 63.41 109.525 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.32 -48.62 80.49 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.19 -0.67 . . . . 71.81 109.19 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ILE . . . . . 0.609 HD13 ' HG3' ' C' ' 51' ' ' GLN . 4.1 tt -68.38 -34.65 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 C-N-CA 117.046 -1.861 . . . . 45.32 112.535 -177.611 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.62 -35.93 82.25 Favored 'General case' 0 C--O 1.258 1.544 0 C-N-CA 117.994 -1.483 . . . . 78.99 112.037 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' B' ' 55' ' ' HOH . 0.0 OUTLIER -63.23 -49.11 75.43 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 121.493 0.663 . . . . 70.22 110.135 173.344 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.42 -42.37 87.42 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-O 118.545 -0.74 . . . . 26.29 110.803 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.36 -38.18 90.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.719 1.145 . . . . 33.84 110.13 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' GLU . . . . . 0.53 ' O ' ' HG2' ' B' ' 140' ' ' GLU . 22.5 tt0 -66.68 -42.09 87.07 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.511 -0.743 . . . . 50.53 110.538 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.2 -38.65 91.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.794 -0.762 . . . . 46.82 110.343 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' SER . . . . . 0.422 ' HG ' ' HB3' ' C' ' 43' ' ' ASN . 68.3 m -62.2 -41.12 98.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.237 -0.892 . . . . 21.3 113.236 176.668 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' GLN . . . . . 0.43 ' OE1' ' NH2' ' A' ' 46' ' ' ARG . 37.4 mt-30 -65.76 -41.79 91.65 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.159 0.504 . . . . 32.49 111.155 177.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' GLU . . . . . 0.53 ' HG2' ' O ' ' B' ' 136' ' ' GLU . 43.4 tt0 -62.97 -42.6 99.88 Favored 'General case' 0 C--O 1.257 1.461 0 CA-C-O 122.236 1.017 . . . . 57.75 109.985 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' GLN . . . . . 0.412 ' NE2' ' CG ' ' B' ' 144' ' ' ARG . 67.7 tp60 -68.84 -35.31 76.79 Favored 'General case' 0 C--O 1.275 2.413 0 C-N-CA 118.859 -1.136 . . . . 28.03 111.389 -179.103 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -62.5 -45.52 92.62 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 108.004 -1.11 . . . . 22.18 108.004 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -58.55 -43.54 89.34 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 118.758 -1.177 . . . . 38.96 111.299 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' ARG . . . . . 0.888 ' C ' ' HD3' ' B' ' 144' ' ' ARG . 34.2 mtm180 -68.38 -39.16 81.82 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 121.664 0.745 . . . . 73.72 110.193 -178.759 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ASN . . . . . 0.752 ' OD1' ' HD2' ' B' ' 144' ' ' ARG . 95.0 m-20 -65.64 -39.34 91.32 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 117.833 -1.547 . . . . 23.73 109.349 -177.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.6 -42.27 78.43 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 120.502 -1.374 . . . . 25.04 108.513 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.96 -38.68 86.53 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 118.283 -1.367 . . . . 69.65 112.094 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' ASP . . . . . 0.664 ' OD2' ' CZ ' ' B' ' 144' ' ' ARG . 85.4 m-20 -55.65 -41.51 73.72 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 120.365 -0.534 . . . . 41.75 111.722 174.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 33.1 mt -71.04 -39.84 72.06 Favored 'General case' 0 CA--C 1.49 -1.358 0 C-N-CA 119.435 -0.906 . . . . 37.22 110.734 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.93 -39.66 76.0 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 118.245 -1.382 . . . . 35.84 108.799 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 108.623 -0.88 . . . . 64.83 108.623 -164.831 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 115' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.369 . . . . . . . . 59.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.0 m -67.48 -36.33 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 2 O-C-N 138.58 9.925 . . . . 61.7 109.894 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 117' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.25 -35.07 78.77 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.378 1.251 . . . . 42.75 114.378 -175.578 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -66.27 -38.32 87.54 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.955 -1.498 . . . . 40.17 106.955 172.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 119' ' ' THR . . . . . . . . . . . . . 88.1 m -66.77 -43.77 83.14 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 120.163 -1.586 . . . . 45.66 114.224 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 120' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -52.0 -47.14 65.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.998 -0.546 . . . . 33.51 111.159 173.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.82 -42.36 98.93 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-O 122.075 0.94 . . . . 84.65 111.028 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 122' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' D' ' 62' ' ' HOH . 36.7 mtt-85 -67.08 -34.32 77.4 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.036 -1.465 . . . . 113.7 113.01 177.091 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 123' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -73.1 -41.44 64.05 Favored 'General case' 0 C--O 1.202 -1.407 0 C-N-CA 119.606 -0.837 . . . . 56.62 109.893 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 124' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.82 -47.88 28.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 108.443 -0.947 . . . . 33.67 108.443 170.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 125' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' C' ' 26' ' ' HOH . 81.4 mt-10 -64.19 -48.44 75.92 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.082 -1.636 . . . . 46.98 110.707 -174.992 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 126' ' ' ASN . . . . . 0.42 ' O ' ' HG3' ' D' ' 130' ' ' GLN . 83.4 m-20 -52.03 -54.84 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.251 0.344 . . . . 34.72 111.653 179.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 127' ' ' TYR . . . . . 0.66 ' HH ' ' HD2' ' E' ' 53' ' ' HIS . 45.8 m-85 -69.49 -34.43 74.3 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 119.607 -0.837 . . . . 69.81 111.739 -178.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 128' ' ' THR . . . . . 0.489 HG23 HE21 ' C' ' 56' ' ' GLN . 65.7 m -63.01 -42.92 99.94 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 118.409 -1.316 . . . . 34.67 109.923 177.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 129' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -61.77 -43.56 98.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.613 1.197 . . . . 86.48 111.717 -179.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 130' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' D' ' 126' ' ' ASN . 69.5 mt-30 -57.82 -47.13 83.53 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.754 -1.112 . . . . 58.59 110.889 177.614 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -40.57 89.52 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.021 0 C-N-CA 119.182 -1.007 . . . . 46.11 110.802 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 132' ' ' TYR . . . . . 0.484 ' O ' ' HG3' ' D' ' 136' ' ' GLU . 39.2 m-85 -64.53 -35.47 81.07 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.595 -0.842 . . . . 65.57 111.834 178.078 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 133' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -65.95 -44.59 84.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.17 -1.012 . . . . 64.24 109.809 176.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 30.0 mt -65.57 -38.92 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 118.767 -1.173 . . . . 32.26 108.14 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.28 -38.57 85.28 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.14 -0.689 . . . . 36.25 109.14 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 136' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' D' ' 132' ' ' TYR . 95.1 mt-10 -62.29 -48.05 81.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 118.832 -1.147 . . . . 89.03 111.645 174.924 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 137' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -60.47 -36.2 77.72 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 118.616 -1.233 . . . . 58.35 110.154 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 138' ' ' SER . . . . . . . . . . . . . 68.2 m -68.13 -36.85 80.37 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.235 1.017 . . . . 27.26 109.845 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 139' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.62 -41.74 79.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.725 -0.671 . . . . 38.27 109.928 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 140' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' D' ' 144' ' ' ARG . 74.0 mt-10 -56.14 -41.06 74.76 Favored 'General case' 0 C--O 1.273 2.291 0 CA-C-O 121.457 0.646 . . . . 50.72 110.522 176.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 141' ' ' GLN . . . . . 0.541 ' HG2' ' HB2' ' E' ' 40' ' ' GLN . 95.9 mt-30 -72.65 -34.74 67.47 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.73 -0.606 . . . . 30.04 111.139 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -60.42 -47.91 84.04 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 107.427 -1.323 . . . . 25.21 107.427 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 143' ' ' ASP . . . . . 0.446 ' O ' ' HD2' ' D' ' 147' ' ' ARG . 84.4 m-20 -58.35 -48.05 81.82 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.656 -1.156 . . . . 42.53 110.297 -178.791 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 144' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' D' ' 140' ' ' GLU . 42.2 mtt85 -62.56 -45.25 93.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.816 0.817 . . . . 77.38 112.897 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.16 -40.32 95.6 Favored 'General case' 0 C--O 1.199 -1.596 0 O-C-N 120.955 -1.091 . . . . 27.76 110.965 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 146' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.84 -43.29 84.07 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.079 -1.448 . . . . 48.2 111.34 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 147' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' D' ' 143' ' ' ASP . 4.1 mpt_? -59.47 -44.35 93.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.355 -1.338 . . . . 113.28 112.924 176.238 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 148' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.22 -31.75 72.34 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 121.545 0.688 . . . . 37.0 111.835 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 149' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.02 -37.06 86.06 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 122.277 1.037 . . . . 71.36 109.182 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 16.0 tp -74.68 -52.65 11.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.632 -1.167 . . . . 52.82 108.585 -171.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--N 1.328 -0.335 0 C-N-CA 118.808 -1.157 . . . . 91.47 110.303 171.367 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 115' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.031 . . . . . . . . 69.28 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -88.71 0.0 OUTLIER 'General case' 1 C--N 1.203 -5.804 1 C-N-CA 131.935 4.094 . . . . 55.5 110.723 . . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' F' F ' 117' ' ' TRP . . . . . 0.552 ' O ' ' HG3' ' F' ' 121' ' ' GLU . 0.8 OUTLIER -74.71 -26.6 59.93 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 115.8 1.778 . . . . 34.71 115.8 -171.156 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' F' F ' 118' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -62.39 -43.96 97.59 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.993 0.902 . . . . 74.94 111.206 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 119' ' ' THR . . . . . . . . . . . . . 57.3 m -68.21 -43.04 78.91 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.58 -1.191 . . . . 34.24 109.285 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 120' ' ' TRP . . . . . 0.494 ' CE3' ' HG2' ' F' ' 121' ' ' GLU . 89.0 t90 -54.14 -49.93 68.12 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.249 -0.581 . . . . 29.05 111.895 177.116 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 121' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' F' ' 117' ' ' TRP . 40.7 tt0 -64.07 -38.08 89.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 121.654 0.74 . . . . 67.01 110.435 -179.381 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 122' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -60.63 -46.75 89.12 Favored 'General case' 0 C--O 1.27 2.166 0 CA-C-N 116.044 -0.525 . . . . 97.06 112.392 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.23 -41.47 90.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.034 -1.098 . . . . 54.94 108.034 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 124' ' ' ILE . . . . . . . . . . . . . 26.1 mm -58.43 -45.0 89.99 Favored 'Isoleucine or valine' 0 C--O 1.264 1.821 0 C-N-CA 117.717 -1.593 . . . . 32.81 109.255 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 125' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -68.35 -37.22 80.27 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 120.485 -1.384 . . . . 50.64 110.465 -177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 126' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.61 -50.69 71.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.648 . . . . 39.71 110.682 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 127' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -70.14 -32.06 69.87 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 117.057 -1.857 . . . . 47.61 110.975 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 128' ' ' THR . . . . . . . . . . . . . 40.4 m -64.6 -44.39 90.74 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 123.071 1.415 . . . . 29.31 108.656 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 129' ' ' ARG . . . . . . . . . . . . . 21.9 mtm105 -61.18 -40.94 95.77 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 118.504 -1.279 . . . . 104.63 110.007 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 130' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.64 -47.41 81.43 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.081 -1.448 . . . . 76.68 110.007 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 131' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.9 -46.27 87.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-O 122.305 1.05 . . . . 33.68 112.193 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 132' ' ' TYR . . . . . 0.542 ' O ' ' HG2' ' F' ' 136' ' ' GLU . 32.5 m-85 -59.16 -37.48 77.41 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.071 -1.452 . . . . 93.64 112.338 178.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 133' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -66.62 -44.71 81.31 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 106.502 -1.666 . . . . 56.72 106.502 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 134' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.56 -40.78 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.018 -1.105 . . . . 25.95 108.018 -175.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 135' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.47 -39.99 92.89 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.443 -1.411 . . . . 36.81 111.15 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 136' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' F' ' 132' ' ' TYR . 66.1 mm-40 -63.21 -47.45 82.49 Favored 'General case' 0 C--O 1.209 -1.059 0 O-C-N 120.626 -1.296 . . . . 51.05 109.655 179.496 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 137' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -59.97 -40.41 88.98 Favored 'General case' 0 C--O 1.208 -1.112 0 C-N-CA 119.367 -0.933 . . . . 50.25 110.579 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 138' ' ' SER . . . . . 0.415 ' OG ' ' HB3' ' A' ' 43' ' ' ASN . 19.8 m -65.86 -37.79 87.12 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 119.884 -0.726 . . . . 24.93 109.6 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 139' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -64.72 -39.71 94.11 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.259 -0.901 . . . . 32.44 110.337 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 140' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.76 -37.38 84.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 120.645 -1.284 . . . . 69.28 110.628 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 141' ' ' GLN . . . . . 0.536 HE21 HH21 ' F' ' 144' ' ' ARG . 72.4 tp60 -68.67 -36.18 78.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 118.907 -1.117 . . . . 35.97 109.499 178.409 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 142' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -61.18 -48.21 82.61 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.212 -1.403 . . . . 27.39 107.212 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 143' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.73 -46.15 88.02 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.583 -0.895 . . . . 58.65 108.583 -175.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 144' ' ' ARG . . . . . 0.536 HH21 HE21 ' F' ' 141' ' ' GLN . 67.7 mtt85 -61.92 -43.42 98.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 112.648 0.61 . . . . 71.46 112.648 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 145' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.86 -40.1 94.6 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.512 -1.275 . . . . 25.29 109.366 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 146' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.21 -36.48 81.79 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.598 -1.241 . . . . 44.83 110.359 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 147' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -64.67 -44.3 90.8 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 121.362 0.601 . . . . 60.75 111.954 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 148' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.1 -23.32 67.12 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 120.968 -1.082 . . . . 51.48 112.401 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 tp -54.6 -35.59 63.55 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.401 0.62 . . . . 55.11 109.678 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 150' ' ' LEU . . . . . . . . . . . . . 13.7 mt -95.02 15.35 19.07 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.332 0.864 . . . . 62.36 113.332 -172.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 151' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 N--CA 1.43 -1.433 0 N-CA-C 106.821 -1.548 . . . . 72.69 106.821 171.187 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' HOH . . . . . 0.505 ' O ' ' HG3' ' D' ' 125' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' HOH . . . . . 0.402 ' O ' ' NH1' ' C' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 91' ' ' HOH . . . . . 0.728 ' O ' ' OE1' ' C' ' 56' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 79' ' ' HOH . . . . . 0.482 ' O ' ' NE2' ' E' ' 53' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . 0.742 ' O ' ' OE1' ' B' ' 123' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' HOH . . . . . 0.525 ' O ' ' NE ' ' B' ' 133' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HOH . . . . . 0.692 ' O ' ' NE ' ' B' ' 144' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 62' ' ' HOH . . . . . 0.441 ' O ' ' NE ' ' D' ' 122' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 . . . . . . . . 27.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 m -68.29 -39.28 82.13 Favored 'General case' 0 CA--C 1.5 -0.967 1 O-C-N 115.089 -4.757 . . . . 50.579999999999998 112.303 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.87 -39.46 97.54 Favored Glycine 0 C--O 1.269 2.285 0 C-N-CA 117.832 -2.127 . . . . 27.5 112.569 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.86 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 CA-C-O 121.219 0.533 . . . . 33.780000000000001 110.958 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.38 -35.52 52.16 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 CA-C-O 122.963 1.363 . . . . 21.800000000000001 111.406 -177.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -66.63 -36.05 81.65 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.474 -0.785 . . . . 62.32 109.493 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . 0.946 ' HG3' HE21 ' E' ' 41' ' ' GLN . 5.5 tp60 -67.2 -37.29 83.39 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.688 -0.856 . . . . 27.09 108.688 178.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.42 -37.53 87.65 Favored 'General case' 0 C--O 1.261 1.7 0 CA-C-O 122.408 1.099 . . . . 22.140000000000001 111.382 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.06 -44.4 95.92 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 121.134 -0.979 . . . . 51.770000000000003 109.352 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . 0.504 ' HA ' HH11 ' A' ' 46' ' ' ARG . 95.1 m-20 -54.96 -51.6 65.65 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 122.324 1.059 . . . . 40.920000000000002 110.074 176.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.3 mt -67.06 -41.54 86.3 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.924 -1.11 . . . . 30.050000000000001 110.865 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.52 -44.84 85.37 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.143 -0.973 . . . . 20.07 111.768 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.504 HH11 ' HA ' ' A' ' 43' ' ' ASN . 20.1 mtp180 -65.87 -32.69 74.35 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.84 0.829 . . . . 40.159999999999997 109.289 179.397 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.6 78.52 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 108.456 -0.942 . . . . 18.75 108.456 -176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . 0.409 HG23 ' OE1' ' C' ' 51' ' ' GLN . 57.5 mt -65.7 -38.35 82.08 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 CA-C-O 122.049 0.928 . . . . 23.920000000000002 109.496 -178.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -63.44 -42.02 98.66 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 118.796 -1.162 . . . . 46.200000000000003 111.121 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.66 75.15 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.055 -1.461 . . . . 20.68 107.055 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -64.57 -34.69 78.85 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 118.114 -1.434 . . . . 25.66 111.001 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . 0.516 ' HB2' HE21 ' C' ' 51' ' ' GLN . 40.8 tp60 -63.72 -39.82 95.23 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 118.96 -1.096 . . . . 33.609999999999999 110.347 177.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 66.1 m80 -61.41 -44.12 97.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 118.535 -1.266 . . . . 60.259999999999998 109.583 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.5 -44.06 93.21 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.459 -0.896 . . . . 32.789999999999999 111.023 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' C' ' 54' ' ' LEU . 14.2 tp -61.37 -38.71 87.98 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.791 -0.818 . . . . 56.590000000000003 108.791 179.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 17' ' ' HOH . 13.4 mm100 -72.48 -29.6 63.78 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 116.066 -2.254 . . . . 45.549999999999997 111.082 -179.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.43 -40.88 96.59 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.547 -0.861 . . . . 22.960000000000001 110.025 171.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.3 p -66.47 -36.23 82.25 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.229 -1.789 . . . . 19.43 108.678 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.84 -40.37 88.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.22 0 O-C-N 120.729 -1.232 . . . . 19.59 110.229 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.8 -42.2 99.61 Favored 'General case' 0 C--O 1.264 1.818 0 N-CA-C 108.694 -0.854 . . . . 25.989999999999998 108.694 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.97 -43.25 97.7 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.825 -1.31 . . . . 22.539999999999999 109.825 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.1 mt -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 O-C-N 120.938 -1.331 . . . . 19.710000000000001 110.604 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.63 -38.0 88.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 118.823 -1.151 . . . . 52.969999999999999 111.026 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.23 -43.84 87.93 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.945 -0.702 . . . . 37.189999999999998 111.092 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 69' ' ' ILE . 78.1 mt -77.73 -34.19 52.7 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.874 -0.731 . . . . 32.200000000000003 110.966 -175.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . 0.665 ' OE1' ' CD1' ' B' ' 117' ' ' TRP . 2.3 tt0 -57.27 -47.31 81.77 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.848 -1.167 . . . . 65.269999999999996 107.848 175.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.09 97.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.426 0.691 . . . . 47.560000000000002 111.296 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.0 mmt-85 -61.67 -56.96 14.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.875 0.369 . . . . 71.400000000000006 110.71 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . 0.618 HD11 HD11 ' C' ' 69' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 109.383 -0.599 . . . . 63.82 109.383 -176.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.227 . . . . . . . . 41.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -62.8 -44.37 96.33 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 127.343 2.902 . . . . 48.409999999999997 110.848 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.69 98.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.029 0.772 . . . . 50.390000000000001 115.029 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mt -68.27 -44.01 84.19 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 118.866 1.333 . . . . 31.579999999999998 112.243 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.63 -34.13 51.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 109.68 -0.489 . . . . 31.760000000000002 109.68 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -67.44 -37.26 82.72 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.421 -0.585 . . . . 40.530000000000001 109.421 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.91 -33.93 75.64 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 118.803 -1.159 . . . . 21.100000000000001 109.098 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' GLN . . . . . 0.89 ' NE2' ' OE1' ' E' ' 41' ' ' GLN . 92.7 mt-30 -59.95 -44.6 94.29 Favored 'General case' 0 C--O 1.194 -1.853 0 C-N-CA 117.12 -1.832 . . . . 20.899999999999999 111.122 176.943 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -62.37 -41.01 98.29 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 118.927 -1.109 . . . . 37.490000000000002 111.116 174.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -47.32 86.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.056 0.931 . . . . 25.91 110.128 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.56 -40.08 84.92 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.56 -0.856 . . . . 26.489999999999998 109.311 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.08 -44.22 87.44 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-O 121.306 0.574 . . . . 22.899999999999999 111.262 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ARG . . . . . 0.467 ' NH2' HH12 ' B' ' 133' ' ' ARG . 53.6 mtp180 -66.82 -34.8 78.61 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.278 -0.969 . . . . 63.439999999999998 111.133 179.892 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.02 92.59 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.681 -1.229 . . . . 19.09 107.681 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' E' ' 51' ' ' GLN . 59.4 mt -67.42 -41.67 86.44 Favored 'Isoleucine or valine' 0 C--O 1.293 3.382 0 C-N-CA 118.883 -1.127 . . . . 27.850000000000001 107.991 -175.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -57.85 -42.8 85.2 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.046 -0.979 . . . . 69.180000000000007 113.255 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.75 84.66 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.47 -0.567 . . . . 23.879999999999999 109.47 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' GLN . . . . . 0.607 ' HG3' HD13 ' B' ' 131' ' ' ILE . 4.0 mt-30 -65.37 -33.82 76.86 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 108.115 -1.069 . . . . 45.700000000000003 108.115 179.076 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -65.12 -39.64 93.36 Favored 'General case' 0 C--O 1.264 1.841 0 C-N-CA 119.288 -0.965 . . . . 30.149999999999999 108.554 178.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.517 -0.74 . . . . 50.869999999999997 110.943 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 55' ' ' LEU . 76.0 mt -62.5 -42.12 99.28 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.39 0.614 . . . . 30.969999999999999 112.268 176.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 mt -62.19 -42.73 99.56 Favored 'General case' 0 CA--C 1.576 1.978 0 O-C-N 121.311 -0.868 . . . . 30.149999999999999 110.327 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' GLN . . . . . 0.887 ' NE2' ' O ' ' C' ' 91' ' ' HOH . 3.1 mm100 -61.02 -37.46 82.63 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.924 -1.11 . . . . 69.030000000000001 109.07 178.428 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.1 -41.91 89.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 120.189 -0.604 . . . . 24.870000000000001 112.284 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 51.0 p -65.29 -37.99 88.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 117.93 -1.508 . . . . 22.829999999999998 110.533 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.09 -42.26 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 118.267 -1.373 . . . . 24.48 110.477 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 60' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -59.77 -45.95 90.68 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.075 0.941 . . . . 31.629999999999999 109.554 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.91 99.91 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.655 -0.978 . . . . 23.469999999999999 110.655 -177.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.2 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 O-C-N 121.0 -1.294 . . . . 23.420000000000002 111.316 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -67.82 -36.11 79.79 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.876 -0.787 . . . . 40.990000000000002 108.876 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.52 -45.26 91.44 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.286 -0.566 . . . . 40.149999999999999 110.906 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.54 -40.38 89.06 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 120.997 0.427 . . . . 32.869999999999997 111.869 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' C' ' 70' ' ' LEU . 26.3 tt0 -57.73 -40.85 80.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.631 0.729 . . . . 58.799999999999997 109.481 -176.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.46 72.64 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 122.98 1.371 . . . . 34.579999999999998 109.931 -174.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' ARG . . . . . 0.402 ' NH1' ' O ' ' C' ' 73' ' ' HOH . 0.0 OUTLIER -87.63 -44.55 11.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 123.107 1.432 . . . . 87.25 110.963 -174.786 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 69' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 69' ' ' ILE . 97.5 mt -73.8 -28.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 O-C-N 121.104 -0.997 . . . . 66.200000000000003 112.691 -171.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 70' ' ' LEU . . . . . 0.496 HD23 ' N ' ' C' ' 70' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.249 0 O-C-N 121.621 -0.675 . . . . 74.030000000000001 112.683 171.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.371 . . . . . . . . 40.950000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -43.51 70.5 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 117.139 -3.476 . . . . 56.439999999999998 112.916 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.09 -30.27 69.94 Favored Glycine 0 C--O 1.266 2.11 0 C-N-CA 118.796 -1.669 . . . . 25.649999999999999 109.04 -173.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 37' ' ' ILE . . . . . 0.451 HG23 ' NE2' ' C' ' 41' ' ' GLN . 19.4 mt -74.01 -46.24 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.245 -0.582 . . . . 48.25 110.246 177.568 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 38' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.96 -38.37 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 119.202 -0.999 . . . . 20.149999999999999 112.468 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -65.14 -39.22 92.72 Favored 'General case' 0 C--O 1.271 2.215 0 CA-C-O 122.491 1.138 . . . . 35.68 109.405 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 40' ' ' GLN . . . . . 0.549 ' HB2' ' HG2' ' D' ' 141' ' ' GLN . 6.1 tp60 -73.39 -28.0 61.77 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.837 -1.074 . . . . 26.32 110.743 179.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 41' ' ' GLN . . . . . 0.946 HE21 ' HG3' ' A' ' 40' ' ' GLN . 93.2 mt-30 -60.86 -38.58 86.06 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 116.767 -1.973 . . . . 23.550000000000001 111.513 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -67.17 -39.5 86.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 115.825 -2.35 . . . . 29.890000000000001 109.086 177.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 43' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -63.2 -43.23 98.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.045 -1.062 . . . . 64.689999999999998 113.193 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.69 -39.44 93.99 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.205 -0.598 . . . . 25.440000000000001 110.236 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 45' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.15 -42.52 99.33 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 119.675 -0.81 . . . . 24.359999999999999 110.826 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 46' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -63.02 -39.26 94.21 Favored 'General case' 0 C--O 1.263 1.806 0 O-C-N 121.543 -0.723 . . . . 56.049999999999997 110.515 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.09 90.89 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.343 -0.943 . . . . 22.329999999999998 108.898 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.7 -39.61 84.15 Favored 'Isoleucine or valine' 0 C--O 1.275 2.395 0 CA-C-O 122.844 1.306 . . . . 22.579999999999998 109.94 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -59.97 -44.93 94.15 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.366 -0.834 . . . . 50.219999999999999 111.36 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.36 83.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.797 -0.761 . . . . 21.93 109.137 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 51' ' ' GLN . . . . . 0.449 ' OE1' HG23 ' C' ' 48' ' ' ILE . 86.4 mt-30 -63.79 -32.5 74.03 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.22 -0.659 . . . . 26.879999999999999 109.22 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -67.39 -43.82 80.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.807 -1.182 . . . . 26.489999999999998 107.807 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 53' ' ' HIS . . . . . 0.686 ' CE1' ' O ' ' E' ' 79' ' ' HOH . 15.3 m80 -66.69 -31.3 71.88 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.057 1.408 . . . . 43.609999999999999 111.777 173.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 54' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.92 -43.29 99.19 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.103 0.954 . . . . 36.310000000000002 111.096 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.91 -39.65 92.73 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 121.017 -1.052 . . . . 27.859999999999999 110.589 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 56' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -69.03 -32.55 72.15 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 120.528 -1.357 . . . . 51.369999999999997 108.652 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.82 -37.71 85.04 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 119.021 -1.071 . . . . 24.41 110.612 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 58' ' ' THR . . . . . . . . . . . . . 79.3 p -69.63 -34.13 73.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 116.89 -1.924 . . . . 18.25 109.876 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.26 -40.97 86.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 O-C-N 121.339 -0.851 . . . . 19.969999999999999 109.698 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 60' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -61.31 -42.05 98.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.969 -1.492 . . . . 26.649999999999999 108.857 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.5 96.2 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 118.271 -1.919 . . . . 21.379999999999999 112.174 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.63 -41.05 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.659 -1.495 . . . . 19.98 110.574 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -61.58 -42.38 98.77 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 121.972 -0.455 . . . . 40.350000000000001 111.118 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -57.46 -50.68 72.26 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.496 -0.881 . . . . 39.619999999999997 111.658 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.35 -41.35 98.51 Favored 'General case' 0 C--O 1.258 1.511 0 CA-C-O 121.767 0.794 . . . . 28.710000000000001 112.46 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.85 -40.3 92.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.9 -0.5 . . . . 38.399999999999999 110.455 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.57 75.79 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.079 -0.712 . . . . 30.390000000000001 109.079 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -76.45 -30.35 57.32 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 120.327 -0.549 . . . . 40.880000000000003 111.106 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 69' ' ' ILE . . . . . 0.616 HD11 HG12 ' C' ' 69' ' ' ILE . 37.7 mm -84.94 -47.68 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.547 0 N-CA-C 115.059 1.503 . . . . 48.170000000000002 115.059 -178.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 N--CA 1.443 -0.79 0 O-C-N 121.225 -0.922 . . . . 55.859999999999999 108.868 -171.423 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 . . . . . . . . 48.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . 0.273 73.4 p -67.71 -26.53 66.21 Favored 'General case' 0 C--O 1.178 -2.695 2 C-N-CA 86.771 -13.972 . . . . 64.040000000000006 112.648 . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' TRP . . . . . 0.665 ' CD1' ' OE1' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -66.83 -34.21 77.3 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 123.777 2.989 . . . . 39.990000000000002 111.622 174.75 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.69 -38.39 90.19 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.566 -0.531 . . . . 90.890000000000001 109.566 172.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 55.3 m -70.13 -42.52 72.49 Favored 'General case' 0 C--O 1.266 1.966 0 CA-C-O 121.983 0.897 . . . . 39.25 109.816 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -56.73 -48.21 78.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.453 -1.249 . . . . 26.969999999999999 110.715 174.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.26 -40.39 81.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.487 1.137 . . . . 69.819999999999993 111.25 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -65.48 -39.16 91.61 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.136 -1.025 . . . . 89.989999999999995 111.734 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' GLU . . . . . 0.742 ' OE1' ' O ' ' B' ' 53' ' ' HOH . 49.9 mm-40 -70.96 -41.82 70.58 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 118.835 -1.146 . . . . 48.509999999999998 108.422 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 31.9 mm -53.46 -46.79 59.53 Favored 'Isoleucine or valine' 0 C--O 1.286 2.994 0 C-N-CA 119.008 -1.077 . . . . 25.120000000000001 112.633 172.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.51 -44.25 96.82 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 120.708 -1.245 . . . . 50.079999999999998 109.893 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -63.33 -50.23 70.84 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.534 0.683 . . . . 32.07 111.483 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' TYR . . . . . 0.449 ' HB2' HD21 ' C' ' 54' ' ' LEU . 59.1 m-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 118.977 -1.089 . . . . 44.490000000000002 112.782 -178.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 94.2 m -62.02 -44.77 96.01 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 121.828 0.823 . . . . 25.690000000000001 109.126 176.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -59.71 -44.35 93.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 120.969 -1.082 . . . . 53.0 109.525 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -61.32 -48.62 80.49 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.19 -0.67 . . . . 63.100000000000001 109.19 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ILE . . . . . 0.607 HD13 ' HG3' ' C' ' 51' ' ' GLN . 4.1 tt -68.38 -34.65 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 C-N-CA 117.046 -1.861 . . . . 37.920000000000002 112.535 -177.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 132' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.62 -35.93 82.25 Favored 'General case' 0 C--O 1.258 1.544 0 C-N-CA 117.994 -1.483 . . . . 65.980000000000004 112.037 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' B' ' 55' ' ' HOH . 0.0 OUTLIER -63.23 -49.11 75.43 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 121.493 0.663 . . . . 58.68 110.135 173.344 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.42 -42.37 87.42 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-O 118.545 -0.74 . . . . 22.07 110.803 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.36 -38.18 90.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.719 1.145 . . . . 28.359999999999999 110.13 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' B' ' 140' ' ' GLU . 22.5 tt0 -66.68 -42.09 87.07 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.511 -0.743 . . . . 50.530000000000001 110.538 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.2 -38.65 91.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.794 -0.762 . . . . 46.82 110.343 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 68.3 m -62.2 -41.12 98.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.237 -0.892 . . . . 20.010000000000002 113.236 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' GLN . . . . . 0.43 ' OE1' ' NH2' ' A' ' 46' ' ' ARG . 37.4 mt-30 -65.76 -41.79 91.65 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.159 0.504 . . . . 28.210000000000001 111.155 177.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 140' ' ' GLU . . . . . 0.515 ' HG2' ' HE ' ' B' ' 144' ' ' ARG . 43.4 tt0 -62.97 -42.6 99.88 Favored 'General case' 0 C--O 1.257 1.461 0 CA-C-O 122.236 1.017 . . . . 57.75 109.985 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -68.84 -35.31 76.79 Favored 'General case' 0 C--O 1.275 2.413 0 C-N-CA 118.859 -1.136 . . . . 28.030000000000001 111.389 -179.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -62.5 -45.52 92.62 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 108.004 -1.11 . . . . 19.460000000000001 108.004 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -58.55 -43.54 89.34 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 118.758 -1.177 . . . . 38.960000000000001 111.299 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' ARG . . . . . 0.902 ' HD3' ' C ' ' B' ' 144' ' ' ARG . 34.2 mtm180 -68.38 -39.16 81.82 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 121.664 0.745 . . . . 61.590000000000003 110.193 -178.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ASN . . . . . 0.751 ' OD1' ' HD2' ' B' ' 144' ' ' ARG . 95.0 m-20 -65.64 -39.34 91.32 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 117.833 -1.547 . . . . 21.18 109.349 -177.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.6 -42.27 78.43 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 120.502 -1.374 . . . . 25.039999999999999 108.513 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.96 -38.68 86.53 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 118.283 -1.367 . . . . 58.200000000000003 112.094 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' ASP . . . . . 0.664 ' OD2' ' CZ ' ' B' ' 144' ' ' ARG . 85.4 m-20 -55.65 -41.51 73.72 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 120.365 -0.534 . . . . 41.75 111.722 174.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 33.1 mt -71.04 -39.84 72.06 Favored 'General case' 0 CA--C 1.49 -1.358 0 C-N-CA 119.435 -0.906 . . . . 31.18 110.734 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.93 -39.66 76.0 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 118.245 -1.382 . . . . 31.329999999999998 108.799 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 108.623 -0.88 . . . . 64.829999999999998 108.623 -164.831 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 115' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.369 . . . . . . . . 59.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.0 m -67.48 -36.33 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 2 O-C-N 138.58 9.925 . . . . 51.57 109.894 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 117' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.25 -35.07 78.77 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.378 1.251 . . . . 43.229999999999997 114.378 -175.578 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -66.27 -38.32 87.54 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.955 -1.498 . . . . 35.740000000000002 106.955 172.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 119' ' ' THR . . . . . . . . . . . . . 88.1 m -66.77 -43.77 83.14 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 120.163 -1.586 . . . . 38.210000000000001 114.224 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 120' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -52.0 -47.14 65.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.998 -0.546 . . . . 28.079999999999998 111.159 173.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.82 -42.36 98.93 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-O 122.075 0.94 . . . . 84.650000000000006 111.028 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 122' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' D' ' 62' ' ' HOH . 36.7 mtt-85 -67.08 -34.32 77.4 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.036 -1.465 . . . . 94.909999999999997 113.01 177.091 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 123' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -73.1 -41.44 64.05 Favored 'General case' 0 C--O 1.202 -1.407 0 C-N-CA 119.606 -0.837 . . . . 56.619999999999997 109.893 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 124' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.82 -47.88 28.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 108.443 -0.947 . . . . 28.219999999999999 108.443 170.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 125' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' C' ' 26' ' ' HOH . 81.4 mt-10 -64.19 -48.44 75.92 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.082 -1.636 . . . . 46.979999999999997 110.707 -174.992 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 126' ' ' ASN . . . . . 0.414 ' O ' ' HG3' ' D' ' 130' ' ' GLN . 83.4 m-20 -52.03 -54.84 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.251 0.344 . . . . 39.840000000000003 111.653 179.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 127' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -69.49 -34.43 74.3 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 119.607 -0.837 . . . . 58.329999999999998 111.739 -178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 128' ' ' THR . . . . . . . . . . . . . 65.7 m -63.01 -42.92 99.94 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 118.409 -1.316 . . . . 29.050000000000001 109.923 177.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 129' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -61.77 -43.56 98.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.613 1.197 . . . . 72.219999999999999 111.717 -179.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 130' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' D' ' 126' ' ' ASN . 69.5 mt-30 -57.82 -47.13 83.53 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.754 -1.112 . . . . 52.18 110.889 177.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -40.57 89.52 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.021 0 C-N-CA 119.182 -1.007 . . . . 38.579999999999998 110.802 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 132' ' ' TYR . . . . . 0.47 ' O ' ' HG3' ' D' ' 136' ' ' GLU . 39.2 m-85 -64.53 -35.47 81.07 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.595 -0.842 . . . . 54.799999999999997 111.834 178.078 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 133' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -65.95 -44.59 84.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.17 -1.012 . . . . 59.049999999999997 109.809 176.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 30.0 mt -65.57 -38.92 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 118.767 -1.173 . . . . 27.039999999999999 108.14 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.28 -38.57 85.28 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.14 -0.689 . . . . 30.359999999999999 109.14 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 136' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' D' ' 132' ' ' TYR . 95.1 mt-10 -62.29 -48.05 81.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 118.832 -1.147 . . . . 89.030000000000001 111.645 174.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 137' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -60.47 -36.2 77.72 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 118.616 -1.233 . . . . 58.350000000000001 110.154 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 138' ' ' SER . . . . . . . . . . . . . 68.2 m -68.13 -36.85 80.37 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.235 1.017 . . . . 22.870000000000001 109.845 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 139' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.62 -41.74 79.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.725 -0.671 . . . . 35.869999999999997 109.928 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 140' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' D' ' 144' ' ' ARG . 74.0 mt-10 -56.14 -41.06 74.76 Favored 'General case' 0 C--O 1.273 2.291 0 CA-C-O 121.457 0.646 . . . . 50.719999999999999 110.522 176.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 141' ' ' GLN . . . . . 0.549 ' HG2' ' HB2' ' E' ' 40' ' ' GLN . 24.2 mt-30 -72.65 -34.74 67.47 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.73 -0.606 . . . . 27.68 111.139 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -60.42 -47.91 84.04 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 107.427 -1.323 . . . . 21.68 107.427 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 143' ' ' ASP . . . . . 0.459 ' O ' ' HD2' ' D' ' 147' ' ' ARG . 84.4 m-20 -58.35 -48.05 81.82 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.656 -1.156 . . . . 42.530000000000001 110.297 -178.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' D' ' 140' ' ' GLU . 42.2 mtt85 -62.56 -45.25 93.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.816 0.817 . . . . 64.640000000000001 112.897 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.16 -40.32 95.6 Favored 'General case' 0 C--O 1.199 -1.596 0 O-C-N 120.955 -1.091 . . . . 24.48 110.965 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 146' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.84 -43.29 84.07 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.079 -1.448 . . . . 48.200000000000003 111.34 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 147' ' ' ARG . . . . . 0.459 ' HD2' ' O ' ' D' ' 143' ' ' ASP . 4.1 mpt_? -59.47 -44.35 93.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.355 -1.338 . . . . 94.560000000000002 112.924 176.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 148' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.22 -31.75 72.34 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 121.545 0.688 . . . . 37.0 111.835 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 149' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.02 -37.06 86.06 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 122.277 1.037 . . . . 59.619999999999997 109.182 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 16.0 tp -74.68 -52.65 11.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.632 -1.167 . . . . 44.219999999999999 108.585 -171.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--N 1.328 -0.335 0 C-N-CA 118.808 -1.157 . . . . 91.469999999999999 110.303 171.367 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 115' ' ' ACE . . . . . 0.534 ' H3 ' ' OE1' ' F' ' 118' ' ' GLU . . . . . . . . 0 C--O 1.23 0.031 . . . . . . . . 69.280000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -88.71 0.0 OUTLIER 'General case' 1 C--N 1.203 -5.804 1 C-N-CA 131.935 4.094 . . . . 55.5 110.723 . . . . . . . . . 4 3 . 1 . 001 ecloud build full ' F' F ' 117' ' ' TRP . . . . . 0.559 ' O ' ' HG3' ' F' ' 121' ' ' GLU . 0.8 OUTLIER -74.71 -26.6 59.93 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 115.8 1.778 . . . . 29.079999999999998 115.8 -171.156 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' F' F ' 118' ' ' GLU . . . . . 0.534 ' OE1' ' H3 ' ' F' ' 115' ' ' ACE . 35.2 mp0 -62.39 -43.96 97.59 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.993 0.902 . . . . 62.609999999999999 111.206 176.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 119' ' ' THR . . . . . . . . . . . . . 57.3 m -68.21 -43.04 78.91 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.58 -1.191 . . . . 28.690000000000001 109.285 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 120' ' ' TRP . . . . . 0.503 ' CE3' ' HG2' ' F' ' 121' ' ' GLU . 89.0 t90 -54.14 -49.93 68.12 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.249 -0.581 . . . . 24.370000000000001 111.895 177.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 121' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' F' ' 117' ' ' TRP . 40.7 tt0 -64.07 -38.08 89.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 121.654 0.74 . . . . 67.010000000000005 110.435 -179.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 122' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -60.63 -46.75 89.12 Favored 'General case' 0 C--O 1.27 2.166 0 CA-C-N 116.044 -0.525 . . . . 89.719999999999999 112.392 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.23 -41.47 90.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.034 -1.098 . . . . 54.939999999999998 108.034 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 124' ' ' ILE . . . . . . . . . . . . . 26.1 mm -58.43 -45.0 89.99 Favored 'Isoleucine or valine' 0 C--O 1.264 1.821 0 C-N-CA 117.717 -1.593 . . . . 27.5 109.255 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 125' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -68.35 -37.22 80.27 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 120.485 -1.384 . . . . 50.600000000000001 110.465 -177.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 126' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.61 -50.69 71.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.648 . . . . 39.710000000000001 110.682 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 127' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -70.14 -32.06 69.87 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 117.057 -1.857 . . . . 39.829999999999998 110.975 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 128' ' ' THR . . . . . . . . . . . . . 40.4 m -64.6 -44.39 90.74 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 123.071 1.415 . . . . 24.59 108.656 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 129' ' ' ARG . . . . . . . . . . . . . 21.9 mtm105 -61.18 -40.94 95.77 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 118.504 -1.279 . . . . 87.349999999999994 110.007 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 130' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.64 -47.41 81.43 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.081 -1.448 . . . . 64.060000000000002 110.007 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 131' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.9 -46.27 87.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-O 122.305 1.05 . . . . 28.23 112.193 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 132' ' ' TYR . . . . . 0.546 ' O ' ' HG2' ' F' ' 136' ' ' GLU . 32.5 m-85 -59.16 -37.48 77.41 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.071 -1.452 . . . . 78.189999999999998 112.338 178.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 133' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -66.62 -44.71 81.31 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 106.502 -1.666 . . . . 47.43 106.502 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 134' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.56 -40.78 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.018 -1.105 . . . . 21.789999999999999 108.018 -175.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 135' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.47 -39.99 92.89 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.443 -1.411 . . . . 30.84 111.15 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 136' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' F' ' 132' ' ' TYR . 66.1 mm-40 -63.21 -47.45 82.49 Favored 'General case' 0 C--O 1.209 -1.059 0 O-C-N 120.626 -1.296 . . . . 48.939999999999998 109.655 179.496 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 137' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -59.97 -40.41 88.98 Favored 'General case' 0 C--O 1.208 -1.112 0 C-N-CA 119.367 -0.933 . . . . 50.25 110.579 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 138' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 43' ' ' ASN . 19.8 m -65.86 -37.79 87.12 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 119.884 -0.726 . . . . 21.48 109.6 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 139' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -64.72 -39.71 94.11 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.259 -0.901 . . . . 45.509999999999998 110.337 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 140' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.76 -37.38 84.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 120.645 -1.284 . . . . 69.280000000000001 110.628 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 141' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -68.67 -36.18 78.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 118.907 -1.117 . . . . 35.969999999999999 109.499 178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 142' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -61.18 -48.21 82.61 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.212 -1.403 . . . . 24.719999999999999 107.212 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 143' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.73 -46.15 88.02 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.583 -0.895 . . . . 58.649999999999999 108.583 -175.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 144' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -61.92 -43.42 98.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 112.648 0.61 . . . . 59.710000000000001 112.648 178.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 145' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.86 -40.1 94.6 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.512 -1.275 . . . . 25.289999999999999 109.366 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 146' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.21 -36.48 81.79 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.598 -1.241 . . . . 44.829999999999998 110.359 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 147' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -64.67 -44.3 90.8 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 121.362 0.601 . . . . 50.780000000000001 111.954 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 148' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.1 -23.32 67.12 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 120.968 -1.082 . . . . 51.479999999999997 112.401 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 tp -54.6 -35.59 63.55 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.401 0.62 . . . . 46.079999999999998 109.678 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 150' ' ' LEU . . . . . . . . . . . . . 13.7 mt -95.02 15.35 19.07 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.332 0.864 . . . . 52.130000000000003 113.332 -172.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 151' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 N--CA 1.43 -1.433 0 N-CA-C 106.821 -1.548 . . . . 72.689999999999998 106.821 171.187 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . 0.428 ' O ' ' NE2' ' A' ' 56' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 26' ' ' HOH . . . . . 0.509 ' O ' ' HG3' ' D' ' 125' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 73' ' ' HOH . . . . . 0.402 ' O ' ' NH1' ' C' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 91' ' ' HOH . . . . . 0.887 ' O ' ' NE2' ' C' ' 56' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 79' ' ' HOH . . . . . 0.686 ' O ' ' CE1' ' E' ' 53' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . 0.742 ' O ' ' OE1' ' B' ' 123' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 55' ' ' HOH . . . . . 0.525 ' O ' ' NE ' ' B' ' 133' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HOH . . . . . 0.692 ' O ' ' NE ' ' B' ' 144' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 62' ' ' HOH . . . . . 0.441 ' O ' ' NE ' ' D' ' 122' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.298 . . . . . . . . 27.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.3 m -68.29 -39.28 82.13 Favored 'General case' 0 CA--C 1.5 -0.967 1 O-C-N 115.089 -4.757 . . . . 50.579999999999998 112.303 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.87 -39.46 97.54 Favored Glycine 0 C--O 1.269 2.285 0 C-N-CA 117.832 -2.127 . . . . 27.5 112.569 179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.8 mt -63.86 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--O 1.249 1.068 0 CA-C-O 121.219 0.533 . . . . 33.780000000000001 110.958 175.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.6 t -72.38 -35.52 52.16 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 CA-C-O 122.963 1.363 . . . . 21.800000000000001 111.406 -177.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -66.63 -36.05 81.65 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.474 -0.785 . . . . 62.32 109.493 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.673 ' HG3' ' OE1' ' E' ' 41' ' ' GLN . 5.5 tp60 -67.2 -37.29 83.39 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 108.688 -0.856 . . . . 27.09 108.688 178.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.42 -37.53 87.65 Favored 'General case' 0 C--O 1.261 1.7 0 CA-C-O 122.408 1.099 . . . . 22.140000000000001 111.382 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -63.06 -44.4 95.92 Favored 'General case' 0 CA--C 1.563 1.454 0 O-C-N 121.134 -0.979 . . . . 51.770000000000003 109.352 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.504 ' HA ' HH11 ' A' ' 46' ' ' ARG . 95.1 m-20 -54.96 -51.6 65.65 Favored 'General case' 0 N--CA 1.505 2.309 0 CA-C-O 122.324 1.059 . . . . 40.920000000000002 110.074 176.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 74.3 mt -67.06 -41.54 86.3 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 118.924 -1.11 . . . . 30.050000000000001 110.865 -176.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.6 tp -57.52 -44.84 85.37 Favored 'General case' 0 C--O 1.249 1.031 0 O-C-N 121.143 -0.973 . . . . 20.07 111.768 176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.504 HH11 ' HA ' ' A' ' 43' ' ' ASN . 20.1 mtp180 -65.87 -32.69 74.35 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-O 121.84 0.829 . . . . 40.159999999999997 109.289 179.397 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.38 -44.6 78.52 Favored 'General case' 0 N--CA 1.505 2.309 0 N-CA-C 108.456 -0.942 . . . . 18.75 108.456 -176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.409 HG23 ' OE1' ' C' ' 51' ' ' GLN . 57.5 mt -65.7 -38.35 82.08 Favored 'Isoleucine or valine' 0 C--O 1.252 1.227 0 CA-C-O 122.049 0.928 . . . . 23.920000000000002 109.496 -178.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -63.44 -42.02 98.66 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 118.796 -1.162 . . . . 46.200000000000003 111.121 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.06 -36.66 75.15 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.055 -1.461 . . . . 20.68 107.055 -177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -64.57 -34.69 78.85 Favored 'General case' 0 C--O 1.263 1.77 0 C-N-CA 118.114 -1.434 . . . . 25.66 111.001 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.516 ' HB2' HE21 ' C' ' 51' ' ' GLN . 40.8 tp60 -63.72 -39.82 95.23 Favored 'General case' 0 C--O 1.254 1.334 0 C-N-CA 118.96 -1.096 . . . . 33.609999999999999 110.347 177.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -61.41 -44.12 97.69 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 118.535 -1.266 . . . . 60.259999999999998 109.583 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.5 -44.06 93.21 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 119.459 -0.896 . . . . 32.789999999999999 111.023 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 HD21 ' HB2' ' C' ' 54' ' ' LEU . 14.2 tp -61.37 -38.71 87.98 Favored 'General case' 0 C--O 1.241 0.649 0 N-CA-C 108.791 -0.818 . . . . 56.590000000000003 108.791 179.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.411 HE21 ' NE2' ' A' ' 52' ' ' GLN . 79.9 mm-40 -72.48 -29.6 63.78 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 116.066 -2.254 . . . . 45.549999999999997 111.082 -179.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -64.43 -40.88 96.59 Favored 'General case' 0 C--N 1.309 -1.191 0 C-N-CA 119.547 -0.861 . . . . 22.960000000000001 110.025 171.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.3 p -66.47 -36.23 82.25 Favored 'General case' 0 N--CA 1.497 1.92 0 C-N-CA 117.229 -1.789 . . . . 19.43 108.678 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.84 -40.37 88.52 Favored 'Isoleucine or valine' 0 C--O 1.252 1.22 0 O-C-N 120.729 -1.232 . . . . 19.59 110.229 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.8 -42.2 99.61 Favored 'General case' 0 C--O 1.264 1.818 0 N-CA-C 108.694 -0.854 . . . . 25.989999999999998 108.694 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -63.97 -43.25 97.7 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 109.825 -1.31 . . . . 22.539999999999999 109.825 -177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.1 mt -66.79 -39.94 84.78 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 O-C-N 120.938 -1.331 . . . . 19.710000000000001 110.604 -177.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -65.63 -38.0 88.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 118.823 -1.151 . . . . 52.969999999999999 111.026 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -58.23 -43.84 87.93 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 119.945 -0.702 . . . . 37.189999999999998 111.092 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 69' ' ' ILE . 78.1 mt -77.73 -34.19 52.7 Favored 'General case' 0 C--O 1.213 -0.854 0 C-N-CA 119.874 -0.731 . . . . 32.200000000000003 110.966 -175.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.815 ' NE2' ' CD1' ' B' ' 117' ' ' TRP . 0.0 OUTLIER -57.27 -47.31 81.77 Favored 'General case' 0 C--O 1.212 -0.87 0 N-CA-C 107.848 -1.167 . . . . 65.269999999999996 107.848 175.332 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -43.09 97.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.426 0.691 . . . . 47.560000000000002 111.296 -177.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.0 mmt-85 -61.67 -56.96 14.1 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.875 0.369 . . . . 71.400000000000006 110.71 175.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.618 HD11 HD11 ' C' ' 69' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.464 0.259 0 N-CA-C 109.383 -0.599 . . . . 63.82 109.383 -176.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.227 . . . . . . . . 41.079999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' SER . . . . . . . . . . . . . 7.5 m -62.8 -44.37 96.33 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 127.343 2.902 . . . . 48.409999999999997 110.848 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.92 -40.69 98.56 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 115.029 0.772 . . . . 50.390000000000001 115.029 -179.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mt -68.27 -44.01 84.19 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 CA-C-N 118.866 1.333 . . . . 31.579999999999998 112.243 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -71.63 -34.13 51.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 109.68 -0.489 . . . . 31.760000000000002 109.68 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -67.44 -37.26 82.72 Favored 'General case' 0 C--O 1.226 -0.184 0 N-CA-C 109.421 -0.585 . . . . 40.530000000000001 109.421 174.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -67.91 -33.93 75.64 Favored 'General case' 0 N--CA 1.504 2.259 0 C-N-CA 118.803 -1.159 . . . . 21.100000000000001 109.098 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' GLN . . . . . 0.891 ' OE1' ' NE2' ' E' ' 41' ' ' GLN . 92.7 mt-30 -59.95 -44.6 94.29 Favored 'General case' 0 C--O 1.194 -1.853 0 C-N-CA 117.12 -1.832 . . . . 20.899999999999999 111.122 176.943 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -62.37 -41.01 98.29 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 118.927 -1.109 . . . . 37.490000000000002 111.116 174.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -47.32 86.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 122.056 0.931 . . . . 25.91 110.128 179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.56 -40.08 84.92 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 119.56 -0.856 . . . . 26.489999999999998 109.311 -176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' LEU . . . . . . . . . . . . . 15.6 tp -58.08 -44.22 87.44 Favored 'General case' 0 C--O 1.26 1.647 0 CA-C-O 121.306 0.574 . . . . 22.899999999999999 111.262 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ARG . . . . . 0.467 ' NH2' HH12 ' B' ' 133' ' ' ARG . 53.6 mtp180 -66.82 -34.8 78.61 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.278 -0.969 . . . . 63.439999999999998 111.133 179.892 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.02 92.59 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 107.681 -1.229 . . . . 19.09 107.681 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.449 HG23 ' OE1' ' E' ' 51' ' ' GLN . 59.4 mt -67.42 -41.67 86.44 Favored 'Isoleucine or valine' 0 C--O 1.293 3.382 0 C-N-CA 118.883 -1.127 . . . . 27.850000000000001 107.991 -175.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -57.85 -42.8 85.2 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 115.046 -0.979 . . . . 69.180000000000007 113.255 175.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.62 -40.75 84.66 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 109.47 -0.567 . . . . 23.879999999999999 109.47 179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' GLN . . . . . 0.607 ' HG3' HD13 ' B' ' 131' ' ' ILE . 4.0 mt-30 -65.37 -33.82 76.86 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 108.115 -1.069 . . . . 45.700000000000003 108.115 179.076 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.664 HE21 HE21 ' C' ' 56' ' ' GLN . 47.4 tp60 -65.12 -39.64 93.36 Favored 'General case' 0 C--O 1.264 1.841 0 C-N-CA 119.288 -0.965 . . . . 30.149999999999999 108.554 178.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -63.03 -40.03 96.52 Favored 'General case' 0 N--CA 1.507 2.375 0 O-C-N 121.517 -0.74 . . . . 50.869999999999997 110.943 176.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' LEU . . . . . 0.505 ' HB2' HD21 ' A' ' 55' ' ' LEU . 76.0 mt -62.5 -42.12 99.28 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-O 121.39 0.614 . . . . 30.969999999999999 112.268 176.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 14.4 mt -62.19 -42.73 99.56 Favored 'General case' 0 CA--C 1.576 1.978 0 O-C-N 121.311 -0.868 . . . . 30.149999999999999 110.327 178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' GLN . . . . . 0.728 ' OE1' ' O ' ' C' ' 91' ' ' HOH . 48.0 mm-40 -61.02 -37.46 82.63 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.924 -1.11 . . . . 69.030000000000001 109.07 178.428 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 39.5 mt -66.1 -41.91 89.99 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 120.189 -0.604 . . . . 24.870000000000001 112.284 177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . 51.0 p -65.29 -37.99 88.86 Favored 'General case' 0 C--O 1.249 1.028 0 C-N-CA 117.93 -1.508 . . . . 22.829999999999998 110.533 175.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.09 -42.26 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 118.267 -1.373 . . . . 24.48 110.477 177.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' TRP . . . . . . . . . . . . . 86.9 t90 -59.77 -45.95 90.68 Favored 'General case' 0 C--O 1.266 1.933 0 CA-C-O 122.075 0.941 . . . . 31.629999999999999 109.554 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.27 -42.91 99.91 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 110.655 -0.978 . . . . 23.469999999999999 110.655 -177.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -65.2 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.969 0 O-C-N 121.0 -1.294 . . . . 23.420000000000002 111.316 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -67.82 -36.11 79.79 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 108.876 -0.787 . . . . 40.990000000000002 108.876 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.52 -45.26 91.44 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 120.286 -0.566 . . . . 40.149999999999999 110.906 178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.54 -40.38 89.06 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 120.997 0.427 . . . . 32.869999999999997 111.869 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' C' ' 70' ' ' LEU . 26.3 tt0 -57.73 -40.85 80.59 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 121.631 0.729 . . . . 58.799999999999997 109.481 -176.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.18 -31.46 72.64 Favored 'General case' 0 N--CA 1.506 2.344 0 CA-C-O 122.98 1.371 . . . . 34.579999999999998 109.931 -174.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' ARG . . . . . 0.402 ' NH1' ' O ' ' C' ' 73' ' ' HOH . 0.0 OUTLIER -87.63 -44.55 11.13 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 123.107 1.432 . . . . 87.25 110.963 -174.786 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' ILE . . . . . 0.618 HD11 HD11 ' A' ' 69' ' ' ILE . 97.5 mt -73.8 -28.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 O-C-N 121.104 -0.997 . . . . 66.200000000000003 112.691 -171.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' LEU . . . . . 0.496 HD23 ' N ' ' C' ' 70' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.249 0 O-C-N 121.621 -0.675 . . . . 74.030000000000001 112.683 171.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 34' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.371 . . . . . . . . 40.950000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 35' ' ' SER . . . . . . . . . . . . . 5.2 m -54.11 -43.51 70.5 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 117.139 -3.476 . . . . 56.439999999999998 112.916 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 36' ' ' GLY . . . . . . . . . . . . . . . -70.09 -30.27 69.94 Favored Glycine 0 C--O 1.266 2.11 0 C-N-CA 118.796 -1.669 . . . . 25.649999999999999 109.04 -173.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 37' ' ' ILE . . . . . 0.451 HG23 ' NE2' ' C' ' 41' ' ' GLN . 19.4 mt -74.01 -46.24 46.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 120.245 -0.582 . . . . 48.25 110.246 177.568 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 38' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.96 -38.37 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 C-N-CA 119.202 -0.999 . . . . 20.149999999999999 112.468 178.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 39' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -65.14 -39.22 92.72 Favored 'General case' 0 C--O 1.271 2.215 0 CA-C-O 122.491 1.138 . . . . 35.68 109.405 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 40' ' ' GLN . . . . . 0.549 ' HB2' ' HG2' ' D' ' 141' ' ' GLN . 6.1 tp60 -73.39 -28.0 61.77 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.837 -1.074 . . . . 26.32 110.743 179.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 41' ' ' GLN . . . . . 0.891 ' NE2' ' OE1' ' C' ' 41' ' ' GLN . 93.2 mt-30 -60.86 -38.58 86.06 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 116.767 -1.973 . . . . 23.550000000000001 111.513 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 42' ' ' ASN . . . . . 0.438 HD21 HH11 ' E' ' 46' ' ' ARG . 22.3 t-20 -67.17 -39.5 86.46 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 115.825 -2.35 . . . . 29.890000000000001 109.086 177.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 43' ' ' ASN . . . . . 0.517 ' ND2' ' OE1' ' D' ' 141' ' ' GLN . 56.7 m-80 -63.2 -43.23 98.77 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.045 -1.062 . . . . 64.689999999999998 113.193 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 44' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.69 -39.44 93.99 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 120.205 -0.598 . . . . 25.440000000000001 110.236 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 45' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.15 -42.52 99.33 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 119.675 -0.81 . . . . 24.359999999999999 110.826 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 46' ' ' ARG . . . . . 0.438 HH11 HD21 ' E' ' 42' ' ' ASN . 40.8 mtp180 -63.02 -39.26 94.21 Favored 'General case' 0 C--O 1.263 1.806 0 O-C-N 121.543 -0.723 . . . . 56.049999999999997 110.515 179.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.86 -44.09 90.89 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 119.343 -0.943 . . . . 22.329999999999998 108.898 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 48' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.7 -39.61 84.15 Favored 'Isoleucine or valine' 0 C--O 1.275 2.395 0 CA-C-O 122.844 1.306 . . . . 22.579999999999998 109.94 -176.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 49' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -59.97 -44.93 94.15 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.366 -0.834 . . . . 50.219999999999999 111.36 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.03 -37.36 83.99 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 119.797 -0.761 . . . . 21.93 109.137 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 51' ' ' GLN . . . . . 0.449 ' OE1' HG23 ' C' ' 48' ' ' ILE . 86.4 mt-30 -63.79 -32.5 74.03 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 109.22 -0.659 . . . . 26.879999999999999 109.22 177.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -67.39 -43.82 80.4 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.807 -1.182 . . . . 26.489999999999998 107.807 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 53' ' ' HIS . . . . . 0.538 ' CD2' ' CZ ' ' D' ' 127' ' ' TYR . 42.2 m-70 -66.69 -31.3 71.88 Favored 'General case' 0 N--CA 1.498 1.973 0 CA-C-O 123.057 1.408 . . . . 43.609999999999999 111.777 173.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 54' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.92 -43.29 99.19 Favored 'General case' 0 C--O 1.242 0.66 0 CA-C-O 122.103 0.954 . . . . 36.310000000000002 111.096 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 15.6 mt -61.91 -39.65 92.73 Favored 'General case' 0 C--O 1.253 1.244 0 O-C-N 121.017 -1.052 . . . . 27.859999999999999 110.589 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 56' ' ' GLN . . . . . 0.538 ' NE2' ' OH ' ' F' ' 132' ' ' TYR . 79.6 mm-40 -69.03 -32.55 72.15 Favored 'General case' 0 C--O 1.21 -1.009 0 O-C-N 120.528 -1.357 . . . . 51.369999999999997 108.652 176.87 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 57' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.82 -37.71 85.04 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 119.021 -1.071 . . . . 24.41 110.612 -178.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 58' ' ' THR . . . . . . . . . . . . . 79.3 p -69.63 -34.13 73.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 116.89 -1.924 . . . . 18.25 109.876 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 59' ' ' VAL . . . . . . . . . . . . . 40.5 t -67.26 -40.97 86.05 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.165 0 O-C-N 121.339 -0.851 . . . . 19.969999999999999 109.698 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 60' ' ' TRP . . . . . . . . . . . . . 53.7 t90 -61.31 -42.05 98.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 117.969 -1.492 . . . . 26.649999999999999 108.857 178.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.5 96.2 Favored Glycine 0 N--CA 1.468 0.784 0 C-N-CA 118.271 -1.919 . . . . 21.379999999999999 112.174 -178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 62' ' ' ILE . . . . . . . . . . . . . 66.7 mt -63.63 -41.05 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.659 -1.495 . . . . 19.98 110.574 179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 63' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -61.58 -42.38 98.77 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 121.972 -0.455 . . . . 40.350000000000001 111.118 177.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 64' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 -57.46 -50.68 72.26 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 119.496 -0.881 . . . . 39.619999999999997 111.658 174.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 65' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.35 -41.35 98.51 Favored 'General case' 0 C--O 1.258 1.511 0 CA-C-O 121.767 0.794 . . . . 28.710000000000001 112.46 -178.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tm0? -60.85 -40.3 92.36 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.9 -0.5 . . . . 38.399999999999999 110.455 178.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.57 75.79 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.079 -0.712 . . . . 30.390000000000001 109.079 -179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 68' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -76.45 -30.35 57.32 Favored 'General case' 0 N--CA 1.504 2.232 0 C-N-CA 120.327 -0.549 . . . . 40.880000000000003 111.106 179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 69' ' ' ILE . . . . . 0.616 HD11 HG12 ' C' ' 69' ' ' ILE . 37.7 mm -84.94 -47.68 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.547 0 N-CA-C 115.059 1.503 . . . . 48.170000000000002 115.059 -178.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 70' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 N--CA 1.443 -0.79 0 O-C-N 121.225 -0.922 . . . . 55.859999999999999 108.868 -171.423 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 . . . . . . . . 48.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . 0.273 73.4 p -67.71 -26.53 66.21 Favored 'General case' 0 C--O 1.178 -2.695 2 C-N-CA 86.771 -13.972 . . . . 64.040000000000006 112.648 . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' TRP . . . . . 0.815 ' CD1' ' NE2' ' A' ' 66' ' ' GLN . 0.4 OUTLIER -66.83 -34.21 77.3 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 123.777 2.989 . . . . 39.990000000000002 111.622 174.75 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -62.69 -38.39 90.19 Favored 'General case' 0 CA--C 1.507 -0.691 0 N-CA-C 109.566 -0.531 . . . . 90.890000000000001 109.566 172.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 55.3 m -70.13 -42.52 72.49 Favored 'General case' 0 C--O 1.266 1.966 0 CA-C-O 121.983 0.897 . . . . 39.25 109.816 -179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -56.73 -48.21 78.27 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 114.453 -1.249 . . . . 26.969999999999999 110.715 174.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.26 -40.39 81.69 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 122.487 1.137 . . . . 69.819999999999993 111.25 178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -65.48 -39.16 91.61 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.136 -1.025 . . . . 89.989999999999995 111.734 179.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' GLU . . . . . 0.742 ' OE1' ' O ' ' B' ' 53' ' ' HOH . 49.9 mm-40 -70.96 -41.82 70.58 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 118.835 -1.146 . . . . 48.509999999999998 108.422 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' ILE . . . . . . . . . . . . . 31.9 mm -53.46 -46.79 59.53 Favored 'Isoleucine or valine' 0 C--O 1.286 2.994 0 C-N-CA 119.008 -1.077 . . . . 25.120000000000001 112.633 172.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -62.51 -44.25 96.82 Favored 'General case' 0 C--O 1.243 0.739 0 O-C-N 120.708 -1.245 . . . . 50.079999999999998 109.893 -176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' ASN . . . . . . . . . . . . . 26.9 m-20 -63.33 -50.23 70.84 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.534 0.683 . . . . 32.07 111.483 -178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' TYR . . . . . 0.449 ' HB2' HD21 ' C' ' 54' ' ' LEU . 59.1 m-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 118.977 -1.089 . . . . 44.490000000000002 112.782 -178.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' THR . . . . . . . . . . . . . 94.2 m -62.02 -44.77 96.01 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 121.828 0.823 . . . . 25.690000000000001 109.126 176.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 7.8 mtm105 -59.71 -44.35 93.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 120.969 -1.082 . . . . 53.0 109.525 179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -61.32 -48.62 80.49 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 109.19 -0.67 . . . . 63.100000000000001 109.19 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ILE . . . . . 0.607 HD13 ' HG3' ' C' ' 51' ' ' GLN . 4.1 tt -68.38 -34.65 67.03 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 C-N-CA 117.046 -1.861 . . . . 37.920000000000002 112.535 -177.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -65.62 -35.93 82.25 Favored 'General case' 0 C--O 1.258 1.544 0 C-N-CA 117.994 -1.483 . . . . 65.980000000000004 112.037 178.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' ARG . . . . . 0.525 ' NE ' ' O ' ' B' ' 55' ' ' HOH . 0.0 OUTLIER -63.23 -49.11 75.43 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 121.493 0.663 . . . . 58.68 110.135 173.344 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' ILE . . . . . . . . . . . . . 67.8 mt -59.42 -42.37 87.42 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-O 118.545 -0.74 . . . . 22.07 110.803 178.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.36 -38.18 90.16 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.719 1.145 . . . . 28.359999999999999 110.13 179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' B' ' 140' ' ' GLU . 22.5 tt0 -66.68 -42.09 87.07 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 121.511 -0.743 . . . . 50.530000000000001 110.538 179.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -65.2 -38.65 91.13 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 119.794 -0.762 . . . . 46.82 110.343 179.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' SER . . . . . . . . . . . . . 68.3 m -62.2 -41.12 98.07 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.237 -0.892 . . . . 20.010000000000002 113.236 176.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' GLN . . . . . 0.43 ' OE1' ' NH2' ' A' ' 46' ' ' ARG . 37.4 mt-30 -65.76 -41.79 91.65 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-O 121.159 0.504 . . . . 28.210000000000001 111.155 177.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' GLU . . . . . 0.515 ' HG2' ' HE ' ' B' ' 144' ' ' ARG . 43.4 tt0 -62.97 -42.6 99.88 Favored 'General case' 0 C--O 1.257 1.461 0 CA-C-O 122.236 1.017 . . . . 57.75 109.985 178.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' GLN . . . . . 0.412 ' NE2' ' CG ' ' B' ' 144' ' ' ARG . 67.7 tp60 -68.84 -35.31 76.79 Favored 'General case' 0 C--O 1.275 2.413 0 C-N-CA 118.859 -1.136 . . . . 28.030000000000001 111.389 -179.103 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -62.5 -45.52 92.62 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 108.004 -1.11 . . . . 19.460000000000001 108.004 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -58.55 -43.54 89.34 Favored 'General case' 0 N--CA 1.499 1.979 0 C-N-CA 118.758 -1.177 . . . . 38.960000000000001 111.299 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' ARG . . . . . 0.902 ' HD3' ' C ' ' B' ' 144' ' ' ARG . 34.2 mtm180 -68.38 -39.16 81.82 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-O 121.664 0.745 . . . . 61.590000000000003 110.193 -178.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ASN . . . . . 0.751 ' OD1' ' HD2' ' B' ' 144' ' ' ARG . 95.0 m-20 -65.64 -39.34 91.32 Favored 'General case' 0 C--O 1.211 -0.973 0 C-N-CA 117.833 -1.547 . . . . 21.18 109.349 -177.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.6 -42.27 78.43 Favored 'General case' 0 C--O 1.261 1.694 0 O-C-N 120.502 -1.374 . . . . 25.039999999999999 108.513 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -66.96 -38.68 86.53 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 118.283 -1.367 . . . . 58.200000000000003 112.094 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' ASP . . . . . 0.664 ' OD2' ' CZ ' ' B' ' 144' ' ' ARG . 85.4 m-20 -55.65 -41.51 73.72 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 120.365 -0.534 . . . . 41.75 111.722 174.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 33.1 mt -71.04 -39.84 72.06 Favored 'General case' 0 CA--C 1.49 -1.358 0 C-N-CA 119.435 -0.906 . . . . 31.18 110.734 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' LEU . . . . . . . . . . . . . 49.8 tp -69.93 -39.66 76.0 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 118.245 -1.382 . . . . 31.329999999999998 108.799 -176.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 108.623 -0.88 . . . . 64.829999999999998 108.623 -164.831 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 115' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.369 . . . . . . . . 59.5 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 116' ' ' SER . . . . . . . . . . . . . 25.0 m -67.48 -36.33 80.92 Favored 'General case' 0 N--CA 1.453 -0.317 2 O-C-N 138.58 9.925 . . . . 51.57 109.894 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 117' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.25 -35.07 78.77 Favored 'General case' 0 C--O 1.258 1.539 0 N-CA-C 114.378 1.251 . . . . 43.229999999999997 114.378 -175.578 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 118' ' ' GLU . . . . . . . . . . . . . 42.0 mp0 -66.27 -38.32 87.54 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 106.955 -1.498 . . . . 35.740000000000002 106.955 172.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 119' ' ' THR . . . . . . . . . . . . . 88.1 m -66.77 -43.77 83.14 Favored 'General case' 0 C--O 1.261 1.661 0 O-C-N 120.163 -1.586 . . . . 38.210000000000001 114.224 176.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 120' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -52.0 -47.14 65.05 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 115.998 -0.546 . . . . 28.079999999999998 111.159 173.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -61.82 -42.36 98.93 Favored 'General case' 0 C--O 1.252 1.187 0 CA-C-O 122.075 0.94 . . . . 84.650000000000006 111.028 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 122' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' D' ' 62' ' ' HOH . 36.7 mtt-85 -67.08 -34.32 77.4 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 118.036 -1.465 . . . . 94.909999999999997 113.01 177.091 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 123' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -73.1 -41.44 64.05 Favored 'General case' 0 C--O 1.202 -1.407 0 C-N-CA 119.606 -0.837 . . . . 56.619999999999997 109.893 -179.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 124' ' ' ILE . . . . . . . . . . . . . 22.8 mm -50.82 -47.88 28.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.77 0 N-CA-C 108.443 -0.947 . . . . 28.219999999999999 108.443 170.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 125' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' C' ' 26' ' ' HOH . 81.4 mt-10 -64.19 -48.44 75.92 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 120.082 -1.636 . . . . 46.979999999999997 110.707 -174.992 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 126' ' ' ASN . . . . . 0.414 ' O ' ' HG3' ' D' ' 130' ' ' GLN . 83.4 m-20 -52.03 -54.84 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 123.251 0.344 . . . . 39.840000000000003 111.653 179.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 127' ' ' TYR . . . . . 0.538 ' CZ ' ' CD2' ' E' ' 53' ' ' HIS . 45.8 m-85 -69.49 -34.43 74.3 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 119.607 -0.837 . . . . 58.329999999999998 111.739 -178.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 128' ' ' THR . . . . . 0.489 HG23 HE22 ' C' ' 56' ' ' GLN . 65.7 m -63.01 -42.92 99.94 Favored 'General case' 0 C--O 1.218 -0.602 0 C-N-CA 118.409 -1.316 . . . . 29.050000000000001 109.923 177.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 129' ' ' ARG . . . . . . . . . . . . . 12.0 mtm105 -61.77 -43.56 98.62 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.613 1.197 . . . . 72.219999999999999 111.717 -179.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 130' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' D' ' 126' ' ' ASN . 69.5 mt-30 -57.82 -47.13 83.53 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.754 -1.112 . . . . 52.18 110.889 177.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 131' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.4 -40.57 89.52 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.021 0 C-N-CA 119.182 -1.007 . . . . 38.579999999999998 110.802 -175.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 132' ' ' TYR . . . . . 0.47 ' O ' ' HG3' ' D' ' 136' ' ' GLU . 39.2 m-85 -64.53 -35.47 81.07 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 119.595 -0.842 . . . . 54.799999999999997 111.834 178.078 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 133' ' ' ARG . . . . . . . . . . . . . 14.7 mmt-85 -65.95 -44.59 84.58 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 119.17 -1.012 . . . . 59.049999999999997 109.809 176.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 30.0 mt -65.57 -38.92 83.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 118.767 -1.173 . . . . 27.039999999999999 108.14 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 135' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.28 -38.57 85.28 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 109.14 -0.689 . . . . 30.359999999999999 109.14 -178.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 136' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' D' ' 132' ' ' TYR . 95.1 mt-10 -62.29 -48.05 81.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 C-N-CA 118.832 -1.147 . . . . 89.030000000000001 111.645 174.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 137' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -60.47 -36.2 77.72 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 118.616 -1.233 . . . . 58.350000000000001 110.154 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 138' ' ' SER . . . . . . . . . . . . . 68.2 m -68.13 -36.85 80.37 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 122.235 1.017 . . . . 22.870000000000001 109.845 -175.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 139' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -68.62 -41.74 79.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.725 -0.671 . . . . 35.869999999999997 109.928 176.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 140' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' D' ' 144' ' ' ARG . 74.0 mt-10 -56.14 -41.06 74.76 Favored 'General case' 0 C--O 1.273 2.291 0 CA-C-O 121.457 0.646 . . . . 50.719999999999999 110.522 176.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 141' ' ' GLN . . . . . 0.549 ' HG2' ' HB2' ' E' ' 40' ' ' GLN . 95.9 mt-30 -72.65 -34.74 67.47 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.73 -0.606 . . . . 27.68 111.139 -179.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 142' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -60.42 -47.91 84.04 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 107.427 -1.323 . . . . 21.68 107.427 178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 143' ' ' ASP . . . . . 0.459 ' O ' ' HD2' ' D' ' 147' ' ' ARG . 84.4 m-20 -58.35 -48.05 81.82 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.656 -1.156 . . . . 42.530000000000001 110.297 -178.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 144' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' D' ' 140' ' ' GLU . 42.2 mtt85 -62.56 -45.25 93.82 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 121.816 0.817 . . . . 64.640000000000001 112.897 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 145' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -62.16 -40.32 95.6 Favored 'General case' 0 C--O 1.199 -1.596 0 O-C-N 120.955 -1.091 . . . . 24.48 110.965 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 146' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -66.84 -43.29 84.07 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.079 -1.448 . . . . 48.200000000000003 111.34 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 147' ' ' ARG . . . . . 0.459 ' HD2' ' O ' ' D' ' 143' ' ' ASP . 4.1 mpt_? -59.47 -44.35 93.03 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 118.355 -1.338 . . . . 94.560000000000002 112.924 176.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 148' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.22 -31.75 72.34 Favored 'General case' 0 C--O 1.254 1.299 0 CA-C-O 121.545 0.688 . . . . 37.0 111.835 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 149' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.02 -37.06 86.06 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-O 122.277 1.037 . . . . 59.619999999999997 109.182 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 16.0 tp -74.68 -52.65 11.05 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.632 -1.167 . . . . 44.219999999999999 108.585 -171.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 . . . . . 0 C--N 1.328 -0.335 0 C-N-CA 118.808 -1.157 . . . . 91.469999999999999 110.303 171.367 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 115' ' ' ACE . . . . . 0.534 ' H3 ' ' OE1' ' F' ' 118' ' ' GLU . . . . . . . . 0 C--O 1.23 0.031 . . . . . . . . 69.280000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 116' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.58 -88.71 0.0 OUTLIER 'General case' 1 C--N 1.203 -5.804 1 C-N-CA 131.935 4.094 . . . . 55.5 110.723 . . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' F' F ' 117' ' ' TRP . . . . . 0.559 ' O ' ' HG3' ' F' ' 121' ' ' GLU . 0.8 OUTLIER -74.71 -26.6 59.93 Favored 'General case' 0 C--O 1.206 -1.202 0 N-CA-C 115.8 1.778 . . . . 29.079999999999998 115.8 -171.156 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' F' F ' 118' ' ' GLU . . . . . 0.534 ' OE1' ' H3 ' ' F' ' 115' ' ' ACE . 35.2 mp0 -62.39 -43.96 97.59 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.993 0.902 . . . . 62.609999999999999 111.206 176.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 119' ' ' THR . . . . . . . . . . . . . 57.3 m -68.21 -43.04 78.91 Favored 'General case' 0 C--O 1.239 0.545 0 CA-C-N 114.58 -1.191 . . . . 28.690000000000001 109.285 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 120' ' ' TRP . . . . . 0.503 ' CE3' ' HG2' ' F' ' 121' ' ' GLU . 89.0 t90 -54.14 -49.93 68.12 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.249 -0.581 . . . . 24.370000000000001 111.895 177.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 121' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' F' ' 117' ' ' TRP . 40.7 tt0 -64.07 -38.08 89.79 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-O 121.654 0.74 . . . . 67.010000000000005 110.435 -179.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 122' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -60.63 -46.75 89.12 Favored 'General case' 0 C--O 1.27 2.166 0 CA-C-N 116.044 -0.525 . . . . 89.719999999999999 112.392 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 123' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -66.23 -41.47 90.02 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 108.034 -1.098 . . . . 54.939999999999998 108.034 -179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 124' ' ' ILE . . . . . . . . . . . . . 26.1 mm -58.43 -45.0 89.99 Favored 'Isoleucine or valine' 0 C--O 1.264 1.821 0 C-N-CA 117.717 -1.593 . . . . 27.5 109.255 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 125' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -68.35 -37.22 80.27 Favored 'General case' 0 C--O 1.213 -0.823 0 O-C-N 120.485 -1.384 . . . . 50.600000000000001 110.465 -177.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 126' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.61 -50.69 71.57 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.46 0.648 . . . . 39.710000000000001 110.682 -178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 127' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -70.14 -32.06 69.87 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 117.057 -1.857 . . . . 39.829999999999998 110.975 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 128' ' ' THR . . . . . . . . . . . . . 40.4 m -64.6 -44.39 90.74 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 123.071 1.415 . . . . 24.59 108.656 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 129' ' ' ARG . . . . . . . . . . . . . 21.9 mtm105 -61.18 -40.94 95.77 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 118.504 -1.279 . . . . 87.349999999999994 110.007 177.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 130' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -63.64 -47.41 81.43 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 118.081 -1.448 . . . . 64.060000000000002 110.007 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 131' ' ' ILE . . . . . . . . . . . . . 66.0 mt -57.9 -46.27 87.52 Favored 'Isoleucine or valine' 0 C--O 1.247 0.934 0 CA-C-O 122.305 1.05 . . . . 28.23 112.193 -178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 132' ' ' TYR . . . . . 0.546 ' O ' ' HG2' ' F' ' 136' ' ' GLU . 32.5 m-85 -59.16 -37.48 77.41 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 118.071 -1.452 . . . . 78.189999999999998 112.338 178.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 133' ' ' ARG . . . . . . . . . . . . . 53.3 ttp85 -66.62 -44.71 81.31 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 106.502 -1.666 . . . . 47.43 106.502 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 134' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.56 -40.78 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 108.018 -1.105 . . . . 21.789999999999999 108.018 -175.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 135' ' ' LEU . . . . . . . . . . . . . 77.4 mt -61.47 -39.99 92.89 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 120.443 -1.411 . . . . 30.84 111.15 178.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 136' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' F' ' 132' ' ' TYR . 66.1 mm-40 -63.21 -47.45 82.49 Favored 'General case' 0 C--O 1.209 -1.059 0 O-C-N 120.626 -1.296 . . . . 48.939999999999998 109.655 179.496 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 137' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -59.97 -40.41 88.98 Favored 'General case' 0 C--O 1.208 -1.112 0 C-N-CA 119.367 -0.933 . . . . 50.25 110.579 177.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 138' ' ' SER . . . . . 0.421 ' OG ' ' HB3' ' A' ' 43' ' ' ASN . 19.8 m -65.86 -37.79 87.12 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 119.884 -0.726 . . . . 21.48 109.6 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 139' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -64.72 -39.71 94.11 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.259 -0.901 . . . . 45.509999999999998 110.337 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 140' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.76 -37.38 84.49 Favored 'General case' 0 C--O 1.243 0.747 0 O-C-N 120.645 -1.284 . . . . 69.280000000000001 110.628 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 141' ' ' GLN . . . . . 0.528 HE22 HH21 ' F' ' 144' ' ' ARG . 72.4 tp60 -68.67 -36.18 78.2 Favored 'General case' 0 CA--C 1.506 -0.74 0 C-N-CA 118.907 -1.117 . . . . 35.969999999999999 109.499 178.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 142' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -61.18 -48.21 82.61 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 107.212 -1.403 . . . . 24.719999999999999 107.212 -179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 143' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.73 -46.15 88.02 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.583 -0.895 . . . . 58.649999999999999 108.583 -175.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 144' ' ' ARG . . . . . 0.528 HH21 HE22 ' F' ' 141' ' ' GLN . 67.7 mtt85 -61.92 -43.42 98.89 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 112.648 0.61 . . . . 59.710000000000001 112.648 178.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 145' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.86 -40.1 94.6 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 118.512 -1.275 . . . . 25.289999999999999 109.366 -178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 146' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.21 -36.48 81.79 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.598 -1.241 . . . . 44.829999999999998 110.359 -177.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 147' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -64.67 -44.3 90.8 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 121.362 0.601 . . . . 50.780000000000001 111.954 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 148' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -65.1 -23.32 67.12 Favored 'General case' 0 C--O 1.209 -1.071 0 O-C-N 120.968 -1.082 . . . . 51.479999999999997 112.401 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 tp -54.6 -35.59 63.55 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.401 0.62 . . . . 46.079999999999998 109.678 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 150' ' ' LEU . . . . . . . . . . . . . 13.7 mt -95.02 15.35 19.07 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.332 0.864 . . . . 52.130000000000003 113.332 -172.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 151' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 . . . . . 0 N--CA 1.43 -1.433 0 N-CA-C 106.821 -1.548 . . . . 72.689999999999998 106.821 171.187 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' HOH . . . . . 0.509 ' O ' ' HG3' ' D' ' 125' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' HOH . . . . . 0.402 ' O ' ' NH1' ' C' ' 68' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 91' ' ' HOH . . . . . 0.728 ' O ' ' OE1' ' C' ' 56' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . 0.742 ' O ' ' OE1' ' B' ' 123' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' HOH . . . . . 0.525 ' O ' ' NE ' ' B' ' 133' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HOH . . . . . 0.692 ' O ' ' NE ' ' B' ' 144' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 62' ' ' HOH . . . . . 0.441 ' O ' ' NE ' ' D' ' 122' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_