data_5how_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 5how _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 ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.1 mt -101.6 142.33 33.12 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 114.665 -1.152 . . . . 65.47 108.379 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.76 119.77 57.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.498 -1.297 . . . . 60.0 107.498 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -130.61 147.67 52.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.449 0.642 . . . . 76.3 111.533 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.71 144.25 22.44 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.135 -0.938 . . . . 57.41 108.782 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -82.2 116.48 21.76 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.206 -0.665 . . . . 91.19 109.206 169.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -90.51 98.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.193 -1.41 . . . . 80.21 107.193 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.8 m -95.15 101.77 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.406 -0.961 . . . . 118.52 108.406 -176.384 -73.936 -70.754 106.36 103.86 2.034 104.905 -105.954 -51.711 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.6 -147.21 7.45 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-O 121.626 0.57 . . . . 136.89 112.195 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.8 m -70.32 78.8 0.54 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.36 1.076 . . . . 177.15 108.566 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 63.53 50.69 2.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.151 -0.931 . . . . 180.28 111.111 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -174.48 117.73 0.21 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.846 -0.616 . . . . 174.29 110.985 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -105.16 166.15 10.6 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.874 0.845 . . . . 122.59 110.674 -175.523 -51.711 -105.954 106.36 104.905 2.034 103.86 -70.754 -73.936 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.28 135.58 1.3 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.965 -1.016 . . . . 97.15 108.776 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.49 137.97 22.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-O 121.271 0.558 . . . . 86.41 109.754 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 pt -134.35 160.61 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.615 -0.513 . . . . 78.02 109.615 -179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -136.04 109.78 8.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.436 -0.347 . . . . 67.34 110.258 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 C--O 1.235 0.327 0 CA-C-O 120.867 0.365 . . . . 62.16 110.245 174.228 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ORN . . . . . 0.424 ' HB3' ' C ' ' B' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.3 mt -94.1 146.01 24.28 Favored 'General case' 0 C--N 1.372 1.545 0 CA-C-N 114.921 -1.036 . . . . 64.93 109.506 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.5 108.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 117.71 -1.596 . . . . 72.77 108.554 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -110.78 142.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.398 -0.819 . . . . 100.03 108.931 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.2 161.54 42.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.413 -0.958 . . . . 55.0 108.413 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -111.87 126.0 54.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.417 -0.811 . . . . 66.8 109.099 173.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.28 105.8 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.145 -1.428 . . . . 70.78 107.145 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.46 119.0 38.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.947 -0.76 . . . . 83.91 108.947 -171.832 -61.681 -88.057 109.634 104.861 2.037 104.832 -91.719 -61.85 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.01 -129.28 5.69 Favored Glycine 0 N--CA 1.447 -0.57 0 O-C-N 123.499 0.499 . . . . 132.01 111.973 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.3 m -48.4 -71.42 0.07 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.355 -0.239 . . . . 163.07 110.355 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -147.74 29.56 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 121.054 -0.259 . . . . 164.64 111.361 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -131.72 150.7 52.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.035 -0.728 . . . . 118.7 109.035 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 73.0 m -123.04 159.35 28.6 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.614 0.721 . . . . 69.61 110.217 -179.234 -61.85 -91.719 109.634 104.832 2.037 104.861 -88.057 -61.681 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.59 128.45 16.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.065 -0.97 . . . . 66.34 108.514 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mm -61.15 138.34 22.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.021 -0.733 . . . . 61.63 109.021 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 36.2 pt -137.17 151.89 27.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 108.169 -1.049 . . . . 63.67 108.169 170.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.2 102.63 5.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.739 -0.837 . . . . 64.97 108.739 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . 0.424 ' C ' ' HB3' ' B' ' 1' ' ' ORN . 60.7 t . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.387 -0.597 . . . . 70.09 109.387 178.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ORN . . . . . 0.403 ' HB3' ' C ' ' C' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 97.0 mt -96.26 141.76 29.22 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 114.763 -1.108 . . . . 73.11 108.012 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -123.57 108.61 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.386 -0.968 . . . . 76.16 108.386 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -124.93 142.57 51.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.543 0.687 . . . . 67.04 110.489 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.98 152.94 35.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.065 -0.97 . . . . 51.19 108.752 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -91.55 108.73 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.515 -1.291 . . . . 86.82 107.515 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -85.75 100.51 12.07 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.139 -1.43 . . . . 76.01 107.139 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.19 108.03 20.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.701 -0.852 . . . . 137.9 108.701 -175.769 -85.196 -63.384 111.397 103.539 2.031 105.096 -106.407 -60.152 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.47 -164.83 33.3 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-O 121.974 0.763 . . . . 148.65 111.948 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -63.33 -42.62 98.98 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.29 -0.564 . . . . 183.81 111.613 -176.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -136.3 28.91 3.06 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.981 -0.449 . . . . 205.31 111.787 -175.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -172.54 115.51 0.31 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.68 -0.408 . . . . 153.52 111.929 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.73 155.95 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 133.86 109.35 164.068 -60.152 -106.407 111.397 105.096 2.031 103.539 -63.384 -85.196 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.79 142.53 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.779 -0.823 . . . . 77.78 108.779 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.16 134.33 29.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.829 -0.804 . . . . 77.19 108.829 174.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 pt -132.36 157.22 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.026 -0.731 . . . . 64.83 109.026 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 mt -124.21 113.37 18.21 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.905 -0.776 . . . . 83.32 108.905 173.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' VAL . . . . . 0.403 ' C ' ' HB3' ' C' ' 1' ' ' ORN . 27.7 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.311 -0.859 . . . . 75.23 109.817 176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ORN . . . . . 0.431 ' HG3' ' O ' ' D' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.34 142.71 27.11 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 115.343 -0.844 . . . . 71.08 109.878 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.1 102.72 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.794 -0.817 . . . . 77.56 108.794 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' PHI . . . . . 0.422 ' HE1' HG21 ' D' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.81 148.49 51.34 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.37 -0.832 . . . . 77.08 109.475 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.46 151.98 28.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.676 -0.861 . . . . 52.44 108.676 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -90.73 107.46 19.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.563 -1.273 . . . . 89.65 107.563 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -88.36 98.65 11.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.56 -1.274 . . . . 80.19 107.56 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.14 104.46 16.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.174 -1.417 . . . . 83.24 107.174 -178.975 -76.516 -65.764 106.922 103.363 2.034 105.619 -109.611 -56.041 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.97 -154.02 23.12 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.08 -0.808 . . . . 97.07 111.08 171.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 32.8 p -84.69 -27.17 27.24 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.219 -0.592 . . . . 140.32 111.7 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -111.64 -22.77 11.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.999 1.111 . . . . 148.08 113.999 -172.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -166.0 142.75 5.22 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.842 0.746 . . . . 142.08 108.995 -172.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -92.89 169.42 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.977 0.894 . . . . 97.5 109.705 167.742 -56.041 -109.611 106.922 105.619 2.034 103.363 -65.764 -76.516 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.99 136.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.524 -0.762 . . . . 78.05 110.651 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mm -72.34 123.59 27.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.33 -0.989 . . . . 75.5 108.33 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 29.8 pt -121.51 156.23 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.418 -0.956 . . . . 62.65 108.418 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -139.59 107.21 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.298 -1.001 . . . . 62.5 108.298 174.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' VAL . . . . . 0.431 ' O ' ' HG3' ' D' ' 1' ' ' ORN . 50.5 t . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 108.993 -0.743 . . . . 65.5 108.993 175.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ORN . . . . . 0.404 ' HB3' ' C ' ' E' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 70.2 mt -94.3 138.64 32.05 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-N 115.065 -0.97 . . . . 77.11 108.897 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.21 117.93 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 118.625 -1.23 . . . . 75.98 108.742 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.24 140.08 52.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.284 0.564 . . . . 82.61 111.389 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.12 158.1 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 57.99 109.249 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -90.94 122.57 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.584 -0.895 . . . . 75.98 108.584 170.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -94.1 103.02 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.162 -1.421 . . . . 67.88 107.162 172.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 97.5 m -105.44 129.75 53.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.315 -0.402 . . . . 69.32 110.245 -173.108 -65.817 -79.566 107.458 104.66 2.038 103.798 -102.818 -56.952 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.23 -145.7 13.89 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.953 -0.567 . . . . 90.56 112.043 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 17.5 m -55.53 -43.21 75.57 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.623 -0.431 . . . . 138.14 111.405 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -133.65 -38.23 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.579 0.955 . . . . 175.12 113.579 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.76 160.61 17.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.881 0.848 . . . . 106.89 111.154 -172.302 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -123.7 165.32 17.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.818 -1.083 . . . . 73.13 110.025 -179.894 -56.952 -102.818 107.458 103.798 2.038 104.66 -79.566 -65.817 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.66 146.31 25.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.393 -0.821 . . . . 64.05 109.264 176.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 mm -78.36 130.25 36.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 108.654 -0.869 . . . . 63.54 108.654 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.82 154.37 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 64.09 109.944 174.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -123.98 102.65 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.88 -1.156 . . . . 65.59 107.88 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' VAL . . . . . 0.404 ' C ' ' HB3' ' E' ' 1' ' ' ORN . 38.4 t . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.353 -0.839 . . . . 70.39 110.085 178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' ORN . . . . . 0.498 ' HB3' ' C ' ' F' ' 21' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -95.01 138.08 33.2 Favored 'General case' 0 C--N 1.373 1.604 0 CA-C-N 114.988 -1.005 . . . . 81.12 109.748 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.96 111.63 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.237 -1.023 . . . . 61.12 108.237 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -131.91 147.59 52.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.961 0.41 . . . . 73.82 110.382 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.59 156.1 32.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.905 -0.776 . . . . 58.29 108.905 176.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -86.13 126.67 34.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.939 -1.028 . . . . 75.92 108.922 168.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -102.34 101.39 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.46 -1.311 . . . . 77.01 107.46 -179.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -102.98 143.51 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 153.2 109.979 -179.337 -50.809 -86.598 109.12 104.752 2.035 105.405 -92.41 -51.118 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.43 -66.08 0.1 Allowed Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.079 -0.51 . . . . 152.54 111.915 177.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 37.4 t -126.85 56.53 1.49 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 122.111 0.958 . . . . 231.14 108.763 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 66.24 27.21 10.29 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.391 -0.822 . . . . 202.4 111.966 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -120.53 72.64 0.96 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.405 -0.961 . . . . 178.02 108.405 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -76.54 168.1 20.67 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.981 0.896 . . . . 148.48 110.442 -179.873 -51.118 -92.41 109.12 105.405 2.035 104.752 -86.598 -50.809 1 1 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.67 148.0 0.53 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.282 -0.872 . . . . 91.51 109.462 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -73.17 135.91 26.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.603 -0.517 . . . . 78.26 109.603 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 17' ' ' ILE . . . . . . . . . . . . . 40.6 pt -132.89 163.05 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 60.98 109.264 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 19' ' ' LEU . . . . . . . . . . . . . 67.6 mt -138.18 101.69 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.294 -1.002 . . . . 60.98 108.294 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' VAL . . . . . 0.498 ' C ' ' HB3' ' F' ' 1' ' ' ORN . 88.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.645 0.259 . . . . 67.49 110.912 176.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.1 mt -101.6 142.33 33.12 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 114.665 -1.152 . . . . 55.340000000000003 108.379 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.76 119.77 57.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.498 -1.297 . . . . 51.049999999999997 107.498 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -130.61 147.67 52.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.449 0.642 . . . . 63.579999999999998 111.533 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.71 144.25 22.44 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.135 -0.938 . . . . 52.859999999999999 108.782 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -82.2 116.48 21.76 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.206 -0.665 . . . . 85.620000000000005 109.206 169.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -90.51 98.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.193 -1.41 . . . . 67.400000000000006 107.193 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.8 m -95.15 101.77 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.406 -0.961 . . . . 103.13 108.406 -176.384 -73.936 -70.754 106.36 103.86 2.034 104.905 -105.954 -51.711 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.6 -147.21 7.45 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-O 121.626 0.57 . . . . 120.67 112.195 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.8 m -70.32 78.8 0.54 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.36 1.076 . . . . 157.18000000000001 108.566 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 63.53 50.69 2.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.151 -0.931 . . . . 150.24000000000001 111.111 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -174.48 117.73 0.21 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.846 -0.616 . . . . 145.24000000000001 110.985 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -105.16 166.15 10.6 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.874 0.845 . . . . 104.31 110.674 -175.523 -51.711 -105.954 106.36 104.905 2.034 103.86 -70.754 -73.936 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.28 135.58 1.3 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.965 -1.016 . . . . 80.959999999999994 108.776 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.49 137.97 22.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-O 121.271 0.558 . . . . 72.010000000000005 109.754 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 pt -134.35 160.61 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.615 -0.513 . . . . 65.019999999999996 109.615 -179.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -136.04 109.78 8.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.436 -0.347 . . . . 56.119999999999997 110.258 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 C--O 1.235 0.327 0 CA-C-O 120.867 0.365 . . . . 53.969999999999999 110.245 174.228 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.3 mt -94.1 146.01 24.28 Favored 'General case' 0 C--N 1.372 1.545 0 CA-C-N 114.921 -1.036 . . . . 54.170000000000002 109.506 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.5 108.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 117.71 -1.596 . . . . 60.640000000000001 108.554 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -110.78 142.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.398 -0.819 . . . . 83.359999999999999 108.931 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.2 161.54 42.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.413 -0.958 . . . . 46.740000000000002 108.413 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -111.87 126.0 54.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.417 -0.811 . . . . 55.670000000000002 109.099 173.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.28 105.8 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.145 -1.428 . . . . 64.359999999999999 107.145 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.46 119.0 38.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.947 -0.76 . . . . 76.489999999999995 108.947 -171.832 -61.681 -88.057 109.634 104.861 2.037 104.832 -91.719 -61.85 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.01 -129.28 5.69 Favored Glycine 0 N--CA 1.447 -0.57 0 O-C-N 123.499 0.499 . . . . 114.41 111.973 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.3 m -48.4 -71.42 0.07 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.355 -0.239 . . . . 135.88999999999999 110.355 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -147.74 29.56 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 121.054 -0.259 . . . . 139.0 111.361 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -131.72 150.7 52.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.035 -0.728 . . . . 98.920000000000002 109.035 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 73.0 m -123.04 159.35 28.6 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.614 0.721 . . . . 58.009999999999998 110.217 -179.234 -61.85 -91.719 109.634 104.832 2.037 104.861 -88.057 -61.681 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.59 128.45 16.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.065 -0.97 . . . . 55.280000000000001 108.514 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mm -61.15 138.34 22.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.021 -0.733 . . . . 51.670000000000002 109.021 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 36.2 pt -137.17 151.89 27.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 108.169 -1.049 . . . . 53.060000000000002 108.169 170.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.2 102.63 5.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.739 -0.837 . . . . 54.140000000000001 108.739 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.387 -0.597 . . . . 59.770000000000003 109.387 178.083 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 97.0 mt -96.26 141.76 29.22 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 114.763 -1.108 . . . . 60.93 108.012 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -123.57 108.61 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.386 -0.968 . . . . 63.469999999999999 108.386 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -124.93 142.57 51.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.543 0.687 . . . . 55.869999999999997 110.489 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.98 152.94 35.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.065 -0.97 . . . . 43.409999999999997 108.752 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -91.55 108.73 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.515 -1.291 . . . . 75.819999999999993 107.515 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -85.75 100.51 12.07 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.139 -1.43 . . . . 69.640000000000001 107.139 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.19 108.03 20.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.701 -0.852 . . . . 114.92 108.701 -175.769 -85.196 -63.384 111.397 103.539 2.031 105.096 -106.407 -60.152 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.47 -164.83 33.3 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-O 121.974 0.763 . . . . 130.33000000000001 111.948 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -63.33 -42.62 98.98 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.29 -0.564 . . . . 161.83000000000001 111.613 -176.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -136.3 28.91 3.06 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.981 -0.449 . . . . 175.34 111.787 -175.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -172.54 115.51 0.31 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.68 -0.408 . . . . 127.93000000000001 111.929 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.73 155.95 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 111.55 109.35 164.068 -60.152 -106.407 111.397 105.096 2.031 103.539 -63.384 -85.196 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.79 142.53 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.779 -0.823 . . . . 64.819999999999993 108.779 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.16 134.33 29.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.829 -0.804 . . . . 65.0 108.829 174.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 pt -132.36 157.22 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.026 -0.731 . . . . 54.359999999999999 109.026 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 mt -124.21 113.37 18.21 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.905 -0.776 . . . . 69.439999999999998 108.905 173.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.311 -0.859 . . . . 62.689999999999998 109.817 176.855 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.34 142.71 27.11 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 115.343 -0.844 . . . . 59.240000000000002 109.878 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.1 102.72 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.794 -0.817 . . . . 64.629999999999995 108.794 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.81 148.49 51.34 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.37 -0.832 . . . . 64.230000000000004 109.475 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.46 151.98 28.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.676 -0.861 . . . . 48.859999999999999 108.676 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -90.73 107.46 19.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.563 -1.273 . . . . 88.730000000000004 107.563 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -88.36 98.65 11.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.56 -1.274 . . . . 70.650000000000006 107.56 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.14 104.46 16.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.174 -1.417 . . . . 74.340000000000003 107.174 -178.975 -76.516 -65.764 106.922 103.363 2.034 105.619 -109.611 -56.041 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.97 -154.02 23.12 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.08 -0.808 . . . . 85.549999999999997 111.08 171.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 32.8 p -84.69 -27.17 27.24 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.219 -0.592 . . . . 116.93000000000001 111.7 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -111.64 -22.77 11.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.999 1.111 . . . . 130.11000000000001 113.999 -172.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -166.0 142.75 5.22 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.842 0.746 . . . . 118.40000000000001 108.995 -172.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -92.89 169.42 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.977 0.894 . . . . 85.700000000000003 109.705 167.742 -56.041 -109.611 106.922 105.619 2.034 103.363 -65.764 -76.516 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.99 136.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.524 -0.762 . . . . 65.040000000000006 110.651 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mm -72.34 123.59 27.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.33 -0.989 . . . . 64.769999999999996 108.33 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 29.8 pt -121.51 156.23 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.418 -0.956 . . . . 52.210000000000001 108.418 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -139.59 107.21 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.298 -1.001 . . . . 52.079999999999998 108.298 174.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 108.993 -0.743 . . . . 57.490000000000002 108.993 175.764 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 70.2 mt -94.3 138.64 32.05 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-N 115.065 -0.97 . . . . 64.260000000000005 108.897 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.21 117.93 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 118.625 -1.23 . . . . 63.32 108.742 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 5' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.24 140.08 52.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.284 0.564 . . . . 68.840000000000003 111.389 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.12 158.1 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 48.329999999999998 109.249 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -90.94 122.57 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.584 -0.895 . . . . 65.730000000000004 108.584 170.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -94.1 103.02 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.162 -1.421 . . . . 60.0 107.162 172.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 97.5 m -105.44 129.75 53.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.315 -0.402 . . . . 66.590000000000003 110.245 -173.108 -65.817 -79.566 107.458 104.66 2.038 103.798 -102.818 -56.952 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.23 -145.7 13.89 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.953 -0.567 . . . . 81.659999999999997 112.043 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 17.5 m -55.53 -43.21 75.57 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.623 -0.431 . . . . 115.12 111.405 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -133.65 -38.23 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.579 0.955 . . . . 145.93000000000001 113.579 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.76 160.61 17.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.881 0.848 . . . . 89.069999999999993 111.154 -172.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -123.7 165.32 17.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.818 -1.083 . . . . 60.939999999999998 110.025 -179.894 -56.952 -102.818 107.458 103.798 2.038 104.66 -79.566 -65.817 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.66 146.31 25.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.393 -0.821 . . . . 53.380000000000003 109.264 176.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 mm -78.36 130.25 36.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 108.654 -0.869 . . . . 52.950000000000003 108.654 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.82 154.37 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 53.409999999999997 109.944 174.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -123.98 102.65 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.88 -1.156 . . . . 54.659999999999997 107.88 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.353 -0.839 . . . . 58.659999999999997 110.085 178.55 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -95.01 138.08 33.2 Favored 'General case' 0 C--N 1.373 1.604 0 CA-C-N 114.988 -1.005 . . . . 67.599999999999994 109.748 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.96 111.63 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.237 -1.023 . . . . 50.93 108.237 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 5' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -131.91 147.59 52.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.961 0.41 . . . . 61.509999999999998 110.382 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.59 156.1 32.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.905 -0.776 . . . . 51.590000000000003 108.905 176.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 7' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -86.13 126.67 34.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.939 -1.028 . . . . 67.810000000000002 108.922 168.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -102.34 101.39 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.46 -1.311 . . . . 70.189999999999998 107.46 -179.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -102.98 143.51 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 140.75999999999999 109.979 -179.337 -50.809 -86.598 109.12 104.752 2.035 105.405 -92.41 -51.118 1 1 . 1 . 001 ecloud build full ' F' F ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.43 -66.08 0.1 Allowed Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.079 -0.51 . . . . 143.93000000000001 111.915 177.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 37.4 t -126.85 56.53 1.49 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 122.111 0.958 . . . . 196.53999999999999 108.763 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 66.24 27.21 10.29 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.391 -0.822 . . . . 168.66999999999999 111.966 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -120.53 72.64 0.96 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.405 -0.961 . . . . 148.34999999999999 108.405 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -76.54 168.1 20.67 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.981 0.896 . . . . 123.73 110.442 -179.873 -51.118 -92.41 109.12 105.405 2.035 104.752 -86.598 -50.809 1 1 . 1 . 001 ecloud build full ' F' F ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.67 148.0 0.53 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.282 -0.872 . . . . 76.260000000000005 109.462 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -73.17 135.91 26.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.603 -0.517 . . . . 65.819999999999993 109.603 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 17' ' ' ILE . . . . . . . . . . . . . 40.6 pt -132.89 163.05 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 50.810000000000002 109.264 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 19' ' ' LEU . . . . . . . . . . . . . 67.6 mt -138.18 101.69 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.294 -1.002 . . . . 54.130000000000003 108.294 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.645 0.259 . . . . 61.340000000000003 110.912 176.364 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.1 mt -101.6 142.33 33.12 Favored 'General case' 0 C--N 1.372 1.578 0 CA-C-N 114.665 -1.152 . . . . 55.340000000000003 108.379 178.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.7 t -123.76 119.77 57.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.498 -1.297 . . . . 51.049999999999997 107.498 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -130.61 147.67 52.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.449 0.642 . . . . 63.579999999999998 111.533 -179.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.71 144.25 22.44 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.135 -0.938 . . . . 52.859999999999999 108.782 -178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -82.2 116.48 21.76 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 109.206 -0.665 . . . . 85.620000000000005 109.206 169.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -90.51 98.53 11.83 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 107.193 -1.41 . . . . 67.400000000000006 107.193 176.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.8 m -95.15 101.77 13.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.406 -0.961 . . . . 103.13 108.406 -176.384 -73.936 -70.754 106.36 103.86 2.034 104.905 -105.954 -51.711 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.6 -147.21 7.45 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-O 121.626 0.57 . . . . 120.67 112.195 -179.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.8 m -70.32 78.8 0.54 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 122.36 1.076 . . . . 157.18000000000001 108.566 -179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 63.53 50.69 2.74 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.151 -0.931 . . . . 150.24000000000001 111.111 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 tptp -174.48 117.73 0.21 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.846 -0.616 . . . . 145.24000000000001 110.985 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -105.16 166.15 10.6 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.874 0.845 . . . . 104.31 110.674 -175.523 -51.711 -105.954 106.36 104.905 2.034 103.86 -70.754 -73.936 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.28 135.58 1.3 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.965 -1.016 . . . . 80.959999999999994 108.776 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 91.4 mt -72.49 137.97 22.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-O 121.271 0.558 . . . . 72.010000000000005 109.754 -179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.0 pt -134.35 160.61 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 109.615 -0.513 . . . . 65.019999999999996 109.615 -179.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.6 mt -136.04 109.78 8.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.436 -0.347 . . . . 56.119999999999997 110.258 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.1 t . . . . . 0 C--O 1.235 0.327 0 CA-C-O 120.867 0.365 . . . . 53.969999999999999 110.245 174.228 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 95.3 mt -94.1 146.01 24.28 Favored 'General case' 0 C--N 1.372 1.545 0 CA-C-N 114.921 -1.036 . . . . 54.170000000000002 109.506 178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.5 108.66 15.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 117.71 -1.596 . . . . 60.640000000000001 108.554 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -110.78 142.77 42.32 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.398 -0.819 . . . . 83.359999999999999 108.931 176.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -153.2 161.54 42.31 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.413 -0.958 . . . . 46.740000000000002 108.413 177.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -111.87 126.0 54.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.417 -0.811 . . . . 55.670000000000002 109.099 173.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.28 105.8 18.03 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.145 -1.428 . . . . 64.359999999999999 107.145 172.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 73.6 m -109.46 119.0 38.1 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.947 -0.76 . . . . 76.489999999999995 108.947 -171.832 -61.681 -88.057 109.634 104.861 2.037 104.832 -91.719 -61.85 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.01 -129.28 5.69 Favored Glycine 0 N--CA 1.447 -0.57 0 O-C-N 123.499 0.499 . . . . 114.41 111.973 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.3 m -48.4 -71.42 0.07 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 110.355 -0.239 . . . . 135.88999999999999 110.355 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -147.74 29.56 0.92 Allowed 'General case' 0 C--O 1.237 0.408 0 C-N-CA 121.054 -0.259 . . . . 139.0 111.361 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -131.72 150.7 52.06 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 109.035 -0.728 . . . . 98.920000000000002 109.035 174.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 73.0 m -123.04 159.35 28.6 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.614 0.721 . . . . 58.009999999999998 110.217 -179.234 -61.85 -91.719 109.634 104.832 2.037 104.861 -88.057 -61.681 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -145.59 128.45 16.37 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.065 -0.97 . . . . 55.280000000000001 108.514 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 15.1 mm -61.15 138.34 22.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.021 -0.733 . . . . 51.670000000000002 109.021 175.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 36.2 pt -137.17 151.89 27.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 108.169 -1.049 . . . . 53.060000000000002 108.169 170.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 86.7 mt -133.2 102.63 5.65 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.739 -0.837 . . . . 54.140000000000001 108.739 177.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.387 -0.597 . . . . 59.770000000000003 109.387 178.083 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 97.0 mt -96.26 141.76 29.22 Favored 'General case' 0 C--N 1.371 1.511 0 CA-C-N 114.763 -1.108 . . . . 60.93 108.012 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 61.7 t -123.57 108.61 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.386 -0.968 . . . . 63.469999999999999 108.386 179.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -124.93 142.57 51.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.543 0.687 . . . . 55.869999999999997 110.489 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.98 152.94 35.74 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.065 -0.97 . . . . 43.409999999999997 108.752 -179.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -91.55 108.73 20.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.515 -1.291 . . . . 75.819999999999993 107.515 172.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -85.75 100.51 12.07 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.139 -1.43 . . . . 69.640000000000001 107.139 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.19 108.03 20.52 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.701 -0.852 . . . . 114.92 108.701 -175.769 -85.196 -63.384 111.397 103.539 2.031 105.096 -106.407 -60.152 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.47 -164.83 33.3 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-O 121.974 0.763 . . . . 130.33000000000001 111.948 178.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 6.7 p -63.33 -42.62 98.98 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.29 -0.564 . . . . 161.83000000000001 111.613 -176.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 p-10 -136.3 28.91 3.06 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 121.981 -0.449 . . . . 175.34 111.787 -175.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -172.54 115.51 0.31 Allowed 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.68 -0.408 . . . . 127.93000000000001 111.929 -179.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' CYS . . . . . . . . . . . . . 82.0 m -92.73 155.95 17.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.634 0.73 . . . . 111.55 109.35 164.068 -60.152 -106.407 111.397 105.096 2.031 103.539 -63.384 -85.196 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.79 142.53 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.779 -0.823 . . . . 64.819999999999993 108.779 179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 45.7 mm -73.16 134.33 29.94 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 108.829 -0.804 . . . . 65.0 108.829 174.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 40.1 pt -132.36 157.22 43.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.026 -0.731 . . . . 54.359999999999999 109.026 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 54.9 mt -124.21 113.37 18.21 Favored 'General case' 0 C--O 1.233 0.19 0 N-CA-C 108.905 -0.776 . . . . 69.439999999999998 108.905 173.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.311 -0.859 . . . . 62.689999999999998 109.817 176.855 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 72.9 mt -94.34 142.71 27.11 Favored 'General case' 0 C--N 1.372 1.563 0 CA-C-N 115.343 -0.844 . . . . 59.240000000000002 109.878 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.1 102.72 11.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 108.794 -0.817 . . . . 64.629999999999995 108.794 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.81 148.49 51.34 Favored 'General case' 0 CA--C 1.509 -0.61 0 CA-C-N 115.37 -0.832 . . . . 64.230000000000004 109.475 179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ALA . . . . . . . . . . . . . . . -155.46 151.98 28.41 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.676 -0.861 . . . . 48.859999999999999 108.676 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -90.73 107.46 19.19 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.563 -1.273 . . . . 88.730000000000004 107.563 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -88.36 98.65 11.72 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.56 -1.274 . . . . 70.650000000000006 107.56 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' CYS . . . . . . . . . . . . . 50.0 m -95.14 104.46 16.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.174 -1.417 . . . . 74.340000000000003 107.174 -178.975 -76.516 -65.764 106.922 103.363 2.034 105.619 -109.611 -56.041 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLY . . . . . . . . . . . . . . . -85.97 -154.02 23.12 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.08 -0.808 . . . . 85.549999999999997 111.08 171.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 32.8 p -84.69 -27.17 27.24 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.219 -0.592 . . . . 116.93000000000001 111.7 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -111.64 -22.77 11.03 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 113.999 1.111 . . . . 130.11000000000001 113.999 -172.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -166.0 142.75 5.22 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 118.842 0.746 . . . . 118.40000000000001 108.995 -172.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' CYS . . . . . . . . . . . . . 61.0 m -92.89 169.42 10.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.977 0.894 . . . . 85.700000000000003 109.705 167.742 -56.041 -109.611 106.922 105.619 2.034 103.363 -65.764 -76.516 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ALA . . . . . . . . . . . . . . . -175.99 136.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.524 -0.762 . . . . 65.040000000000006 110.651 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ILE . . . . . . . . . . . . . 49.5 mm -72.34 123.59 27.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.33 -0.989 . . . . 64.769999999999996 108.33 176.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' ILE . . . . . . . . . . . . . 29.8 pt -121.51 156.23 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 108.418 -0.956 . . . . 52.210000000000001 108.418 -179.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' LEU . . . . . . . . . . . . . 95.6 mt -139.59 107.21 5.6 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.298 -1.001 . . . . 52.079999999999998 108.298 174.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 50.5 t . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 108.993 -0.743 . . . . 57.490000000000002 108.993 175.764 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 70.2 mt -94.3 138.64 32.05 Favored 'General case' 0 C--N 1.371 1.515 0 CA-C-N 115.065 -0.97 . . . . 64.260000000000005 108.897 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -121.21 117.93 54.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 118.625 -1.23 . . . . 63.32 108.742 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -126.24 140.08 52.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.284 0.564 . . . . 68.840000000000003 111.389 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ALA . . . . . . . . . . . . . . . -147.12 158.1 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.547 -0.751 . . . . 48.329999999999998 109.249 178.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -90.94 122.57 33.73 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.584 -0.895 . . . . 65.730000000000004 108.584 170.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -94.1 103.02 15.09 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.162 -1.421 . . . . 60.0 107.162 172.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' CYS . . . . . . . . . . . . . 97.5 m -105.44 129.75 53.67 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.315 -0.402 . . . . 66.590000000000003 110.245 -173.108 -65.817 -79.566 107.458 104.66 2.038 103.798 -102.818 -56.952 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' GLY . . . . . . . . . . . . . . . -105.23 -145.7 13.89 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.953 -0.567 . . . . 81.659999999999997 112.043 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 17.5 m -55.53 -43.21 75.57 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.623 -0.431 . . . . 115.12 111.405 -175.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -133.65 -38.23 0.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.579 0.955 . . . . 145.93000000000001 113.579 -174.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.76 160.61 17.15 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.881 0.848 . . . . 89.069999999999993 111.154 -172.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' CYS . . . . . . . . . . . . . 63.1 m -123.7 165.32 17.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.818 -1.083 . . . . 60.939999999999998 110.025 -179.894 -56.952 -102.818 107.458 103.798 2.038 104.66 -79.566 -65.817 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' ALA . . . . . . . . . . . . . . . -151.66 146.31 25.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.393 -0.821 . . . . 53.380000000000003 109.264 176.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 mm -78.36 130.25 36.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 N-CA-C 108.654 -0.869 . . . . 52.950000000000003 108.654 176.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' ILE . . . . . . . . . . . . . 44.6 pt -127.82 154.37 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.412 . . . . 53.409999999999997 109.944 174.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' LEU . . . . . . . . . . . . . 79.5 mt -123.98 102.65 7.87 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 107.88 -1.156 . . . . 54.659999999999997 107.88 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.332 -0.183 0 CA-C-N 115.353 -0.839 . . . . 58.659999999999997 110.085 178.55 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -95.01 138.08 33.2 Favored 'General case' 0 C--N 1.373 1.604 0 CA-C-N 114.988 -1.005 . . . . 67.599999999999994 109.748 178.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' VAL . . . . . . . . . . . . . 45.3 t -118.96 111.63 34.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.237 -1.023 . . . . 50.93 108.237 179.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -131.91 147.59 52.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.961 0.41 . . . . 61.509999999999998 110.382 -178.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.59 156.1 32.99 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.905 -0.776 . . . . 51.590000000000003 108.905 176.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -86.13 126.67 34.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.939 -1.028 . . . . 67.810000000000002 108.922 168.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -102.34 101.39 11.64 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.46 -1.311 . . . . 70.189999999999998 107.46 -179.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' CYS . . . . . . . . . . . . . 34.0 m -102.98 143.51 32.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 140.75999999999999 109.979 -179.337 -50.809 -86.598 109.12 104.752 2.035 105.405 -92.41 -51.118 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.43 -66.08 0.1 Allowed Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 116.079 -0.51 . . . . 143.93000000000001 111.915 177.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 37.4 t -126.85 56.53 1.49 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 122.111 0.958 . . . . 196.53999999999999 108.763 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 66.24 27.21 10.29 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.391 -0.822 . . . . 168.66999999999999 111.966 -177.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -120.53 72.64 0.96 Allowed 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.405 -0.961 . . . . 148.34999999999999 108.405 174.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' CYS . . . . . . . . . . . . . 34.7 m -76.54 168.1 20.67 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.981 0.896 . . . . 123.73 110.442 -179.873 -51.118 -92.41 109.12 105.405 2.035 104.752 -86.598 -50.809 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' ALA . . . . . . . . . . . . . . . -177.67 148.0 0.53 Allowed 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.282 -0.872 . . . . 76.260000000000005 109.462 177.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' ILE . . . . . . . . . . . . . 49.4 mm -73.17 135.91 26.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.603 -0.517 . . . . 65.819999999999993 109.603 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 17' ' ' ILE . . . . . . . . . . . . . 40.6 pt -132.89 163.05 38.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.264 -0.643 . . . . 50.810000000000002 109.264 176.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 18' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 19' ' ' LEU . . . . . . . . . . . . . 67.6 mt -138.18 101.69 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.294 -1.002 . . . . 54.130000000000003 108.294 176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 20' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.645 0.259 . . . . 61.340000000000003 110.912 176.364 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_