data_6v58_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6v58 _Structure_validation_residue.Date_analyzed 2020-04-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.42 . . . . . . . . 54.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.16 -46.69 79.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.366 0.876 . . . . 57.32 113.366 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.48 -49.2 81.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 120.28 -0.568 . . . . 51.84 110.511 -176.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.1 -36.21 72.55 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.852 -0.739 . . . . 65.19 110.718 176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.31 85.17 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 121.073 -0.251 . . . . 46.87 111.253 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.87 -49.26 78.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.069 -0.652 . . . . 50.04 110.448 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -49.78 -45.69 50.0 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.548 -0.296 . . . . 64.71 111.119 178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -64.73 -41.6 95.83 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.494 -0.882 . . . . 58.08 111.376 -179.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -69.92 -39.68 76.02 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.642 -0.823 . . . . 61.17 110.848 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.21 -45.8 84.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.197 0.523 . . . . 40.78 110.375 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -68.29 -32.44 72.59 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.419 -0.912 . . . . 63.65 112.631 -177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.61 99.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.288 -0.965 . . . . 37.91 110.92 169.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -64.17 -38.64 91.78 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.262 -0.575 . . . . 35.8 111.009 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.86 -44.65 96.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 111.842 0.312 . . . . 46.57 111.842 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' NZ ' ' O ' ' A' ' 101' ' ' HOH . 16.0 mttm -60.5 -45.12 94.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.877 -0.601 . . . . 43.23 110.047 -175.815 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.73 -41.06 87.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 118.927 -1.109 . . . . 29.75 110.248 -175.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.46 -40.2 95.86 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.157 -1.017 . . . . 41.62 111.272 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -64.12 -36.3 83.57 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.099 -1.04 . . . . 45.97 110.991 175.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.9 mt -67.67 -42.0 82.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.655 -0.818 . . . . 26.62 110.691 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.03 -48.17 80.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.822 -0.751 . . . . 29.99 110.998 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.34 -51.36 64.99 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 122.17 -0.331 . . . . 37.12 111.646 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -62.45 -43.51 98.65 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 119.016 -1.073 . . . . 36.18 111.539 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.61 -40.2 88.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 121.968 -0.458 . . . . 27.64 111.153 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.12 -38.68 92.12 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.529 -0.732 . . . . 32.31 110.842 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.69 92.71 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.68 -0.408 . . . . 32.18 110.732 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 120.36 -0.536 . . . . 34.2 111.304 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -63.74 -36.2 83.09 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.415 -0.914 . . . . 49.84 111.862 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -94.88 -4.49 46.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.531 -0.731 . . . . 39.26 112.577 -174.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.4 39.23 92.56 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.158 -0.544 . . . . 39.05 112.807 -171.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -63.22 133.29 54.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.543 0.672 . . . . 44.19 109.653 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.14 41.71 31.35 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.132 0.491 . . . . 50.66 111.878 171.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.95 4.7 72.86 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 116.113 1.205 . . . . 50.31 116.113 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 . . . . . 0 C--O 1.235 0.336 0 CA-C-N 118.751 1.275 . . . . 56.03 113.289 -171.252 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 56.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.42 -45.9 88.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.421 1.488 . . . . 57.85 113.225 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 t -68.83 -46.13 79.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 120.322 -0.551 . . . . 53.38 110.258 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.38 -31.51 69.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.271 -0.972 . . . . 74.57 111.153 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.19 -45.05 86.42 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.895 0.378 . . . . 50.59 111.02 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -59.14 -44.92 92.08 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.24 -0.584 . . . . 50.57 110.738 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -60.94 -36.67 79.97 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.657 -0.417 . . . . 60.05 111.503 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.58 -39.91 84.84 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.019 -1.072 . . . . 59.98 110.94 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -70.43 -39.81 74.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.604 -0.838 . . . . 62.43 110.995 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.36 -47.12 81.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.052 0.453 . . . . 43.87 110.325 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -68.97 -31.94 71.17 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.771 -0.771 . . . . 70.28 111.391 -175.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.9 96.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 119.372 -0.931 . . . . 36.63 110.59 170.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.45 -39.46 93.44 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.567 -0.453 . . . . 33.64 111.011 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -61.64 -45.53 93.65 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 122.272 -0.268 . . . . 48.31 111.133 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -58.15 -43.43 87.37 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.102 -0.954 . . . . 39.05 111.313 -174.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.7 t -66.93 -43.46 89.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 115.859 -0.61 . . . . 32.84 110.558 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.62 -42.33 96.64 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 120.254 -0.578 . . . . 44.3 111.686 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.39 -40.92 96.13 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.538 -0.865 . . . . 53.62 111.358 175.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 23.9 mt -63.96 -45.88 87.13 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.341 -0.544 . . . . 26.48 110.585 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -54.39 -47.02 73.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.475 -0.49 . . . . 27.65 111.358 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -58.17 -49.84 75.6 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.143 -0.348 . . . . 38.35 111.426 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.98 -44.82 95.94 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.477 -0.889 . . . . 35.34 111.623 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.41 -40.11 87.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 121.963 -0.461 . . . . 28.71 110.92 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.69 -37.94 89.29 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.483 -0.887 . . . . 33.28 110.533 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.56 92.45 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.399 -0.52 . . . . 31.05 110.455 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.261 -0.575 . . . . 31.93 111.209 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.42 -33.52 75.9 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.744 0.646 . . . . 51.6 112.744 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -96.51 -5.81 38.56 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.967 -0.693 . . . . 37.49 112.505 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.03 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.505 -0.855 . . . . 41.05 113.734 -171.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -61.52 145.62 51.31 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.804 0.802 . . . . 43.15 110.004 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.6 -119.33 1.17 Allowed 'General case' 0 C--O 1.243 0.72 0 N-CA-C 105.547 -2.02 . . . . 59.05 105.547 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.203 0 CA-C-N 120.21 1.368 . . . . 52.58 114.67 177.81 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.487 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.42 . . . . . . . . 54.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.16 -46.69 79.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.366 0.876 . . . . 57.32 113.366 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.48 -49.2 81.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 120.28 -0.568 . . . . 51.84 110.511 -176.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 1.5 mp0 -58.1 -36.21 72.55 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.852 -0.739 . . . . 65.19 110.718 176.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.31 85.17 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 121.073 -0.251 . . . . 46.87 111.253 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.87 -49.26 78.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.069 -0.652 . . . . 50.04 110.448 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.635 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 14.0 mt-10 -49.78 -45.69 50.0 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.548 -0.296 . . . . 64.71 111.119 178.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 3' ' ' GLU . 13.1 mttp -64.73 -41.6 95.83 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.494 -0.882 . . . . 58.08 111.376 -179.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -69.92 -39.68 76.02 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.642 -0.823 . . . . 61.17 110.848 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.21 -45.8 84.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.197 0.523 . . . . 40.78 110.375 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 57.7 mt-10 -68.29 -32.44 72.59 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.419 -0.912 . . . . 63.65 112.631 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.61 99.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.288 -0.965 . . . . 37.91 110.92 169.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -64.17 -38.64 91.78 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.262 -0.575 . . . . 35.8 111.009 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.86 -44.65 96.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 111.842 0.312 . . . . 46.57 111.842 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' NLE . . . . . 0.411 ' HE3' ' HB2' ' A' ' 14' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -60.5 -45.12 94.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.877 -0.601 . . . . 43.23 110.047 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.73 -41.06 87.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 118.927 -1.109 . . . . 29.75 110.248 -175.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.46 -40.2 95.86 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.157 -1.017 . . . . 41.62 111.272 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.4 mmtt -64.12 -36.3 83.57 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.099 -1.04 . . . . 45.97 110.991 175.833 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.9 mt -67.67 -42.0 82.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.655 -0.818 . . . . 26.62 110.691 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.03 -48.17 80.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.822 -0.751 . . . . 29.99 110.998 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.34 -51.36 64.99 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 122.17 -0.331 . . . . 37.12 111.646 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -62.45 -43.51 98.65 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 119.016 -1.073 . . . . 36.18 111.539 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.61 -40.2 88.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 121.968 -0.458 . . . . 27.64 111.153 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.12 -38.68 92.12 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.529 -0.732 . . . . 32.31 110.842 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.69 92.71 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.68 -0.408 . . . . 32.18 110.732 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 120.36 -0.536 . . . . 34.2 111.304 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -63.74 -36.2 83.09 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.415 -0.914 . . . . 49.84 111.862 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -94.88 -4.49 46.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.531 -0.731 . . . . 39.26 112.577 -174.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.4 39.23 92.56 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.158 -0.544 . . . . 39.05 112.807 -171.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -63.22 133.29 54.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.543 0.672 . . . . 44.19 109.653 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.14 41.71 31.35 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.132 0.491 . . . . 50.66 111.878 171.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.95 4.7 72.86 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 116.113 1.205 . . . . 50.31 116.113 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 . . . . . 0 C--O 1.235 0.336 0 CA-C-N 118.751 1.275 . . . . 56.03 113.289 -171.252 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 56.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.42 -45.9 88.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.421 1.488 . . . . 57.85 113.225 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 13.1 t -68.83 -46.13 79.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 120.322 -0.551 . . . . 53.38 110.258 175.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.38 -31.51 69.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.271 -0.972 . . . . 74.57 111.153 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.19 -45.05 86.42 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.895 0.378 . . . . 50.59 111.02 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -59.14 -44.92 92.08 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.24 -0.584 . . . . 50.57 110.738 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 48.3 mt-10 -60.94 -36.67 79.97 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.657 -0.417 . . . . 60.05 111.503 -176.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.58 -39.91 84.84 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.019 -1.072 . . . . 59.98 110.94 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -70.43 -39.81 74.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.604 -0.838 . . . . 62.43 110.995 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.36 -47.12 81.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.052 0.453 . . . . 43.87 110.325 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.456 ' CD ' ' HB3' ' A' ' 10' ' ' GLU . 14.7 tt0 -68.97 -31.94 71.17 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.771 -0.771 . . . . 70.28 111.391 -175.876 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.9 96.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 119.372 -0.931 . . . . 36.63 110.59 170.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.45 -39.46 93.44 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.567 -0.453 . . . . 33.64 111.011 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -61.64 -45.53 93.65 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 122.272 -0.268 . . . . 48.31 111.133 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' NLE . . . . . 0.433 ' HE3' ' HB2' ' B' ' 14' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -58.15 -43.43 87.37 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.102 -0.954 . . . . 39.05 111.313 -174.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.7 t -66.93 -43.46 89.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 115.859 -0.61 . . . . 32.84 110.558 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.62 -42.33 96.64 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 120.254 -0.578 . . . . 44.3 111.686 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . 0.403 ' NZ ' ' HG2' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -61.39 -40.92 96.13 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.538 -0.865 . . . . 53.62 111.358 175.056 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 23.9 mt -63.96 -45.88 87.13 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.341 -0.544 . . . . 26.48 110.585 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -54.39 -47.02 73.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.475 -0.49 . . . . 27.65 111.358 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -58.17 -49.84 75.6 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.143 -0.348 . . . . 38.35 111.426 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.98 -44.82 95.94 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.477 -0.889 . . . . 35.34 111.623 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.41 -40.11 87.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 121.963 -0.461 . . . . 28.71 110.92 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.69 -37.94 89.29 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.483 -0.887 . . . . 33.28 110.533 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.56 92.45 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.399 -0.52 . . . . 31.05 110.455 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.261 -0.575 . . . . 31.93 111.209 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.42 -33.52 75.9 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.744 0.646 . . . . 51.6 112.744 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -96.51 -5.81 38.56 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.967 -0.693 . . . . 37.49 112.505 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.03 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.505 -0.855 . . . . 41.05 113.734 -171.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -61.52 145.62 51.31 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.804 0.802 . . . . 43.15 110.004 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.6 -119.33 1.17 Allowed 'General case' 0 C--O 1.243 0.72 0 N-CA-C 105.547 -2.02 . . . . 59.05 105.547 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.203 0 CA-C-N 120.21 1.368 . . . . 52.58 114.67 177.81 . . . . . . . . 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 ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.42 . . . . . . . . 54.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -65.16 -46.69 79.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 113.366 0.876 . . . . 57.32 113.366 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.48 -49.2 81.8 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 C-N-CA 120.28 -0.568 . . . . 51.840000000000003 110.511 -176.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.539 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 1.5 mp0 -58.1 -36.21 72.55 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 119.852 -0.739 . . . . 65.189999999999998 110.718 176.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.0 -44.31 85.17 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 121.073 -0.251 . . . . 46.869999999999997 111.253 176.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.87 -49.26 78.18 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.069 -0.652 . . . . 50.039999999999999 110.448 177.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.635 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 14.0 mt-10 -49.78 -45.69 50.0 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 116.548 -0.296 . . . . 64.709999999999994 111.119 178.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.539 ' HG3' ' O ' ' A' ' 3' ' ' GLU . 13.1 mttp -64.73 -41.6 95.83 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.494 -0.882 . . . . 58.079999999999998 111.376 -179.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -69.92 -39.68 76.02 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 119.642 -0.823 . . . . 61.170000000000002 110.848 -178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.0 t -57.21 -45.8 84.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 121.197 0.523 . . . . 40.780000000000001 110.375 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.635 ' HG3' ' O ' ' A' ' 6' ' ' GLU . 57.7 mt-10 -68.29 -32.44 72.59 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.419 -0.912 . . . . 63.649999999999999 112.631 -177.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.61 99.19 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.288 -0.965 . . . . 37.909999999999997 110.92 169.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 41.8 mt -64.17 -38.64 91.78 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.262 -0.575 . . . . 35.799999999999997 111.009 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -60.86 -44.65 96.73 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 111.842 0.312 . . . . 46.57 111.842 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' NLE . . . . . 0.411 ' HE3' ' HB2' ' A' ' 14' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -60.5 -45.12 94.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.877 -0.601 . . . . 43.229999999999997 110.047 -175.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 t -66.73 -41.06 87.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 C-N-CA 118.927 -1.109 . . . . 29.75 110.248 -175.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -62.46 -40.2 95.86 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.157 -1.017 . . . . 41.619999999999997 111.272 178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.4 mmtt -64.12 -36.3 83.57 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 119.099 -1.04 . . . . 45.969999999999999 110.991 175.833 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.9 mt -67.67 -42.0 82.83 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 119.655 -0.818 . . . . 26.620000000000001 110.691 178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -58.03 -48.17 80.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.822 -0.751 . . . . 29.989999999999998 110.998 178.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -54.34 -51.36 64.99 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 122.17 -0.331 . . . . 37.119999999999997 111.646 175.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.8 mttt -62.45 -43.51 98.65 Favored 'General case' 0 C--O 1.242 0.71 0 C-N-CA 119.016 -1.073 . . . . 36.18 111.539 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.8 t -64.61 -40.2 88.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 O-C-N 121.968 -0.458 . . . . 27.640000000000001 111.153 -178.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -63.12 -38.68 92.12 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.529 -0.732 . . . . 32.310000000000002 110.842 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.69 92.71 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.68 -0.408 . . . . 32.18 110.732 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 39.7 mt -61.41 -45.92 92.31 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 120.36 -0.536 . . . . 34.200000000000003 111.304 174.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -63.74 -36.2 83.09 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.415 -0.914 . . . . 49.840000000000003 111.862 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -94.88 -4.49 46.87 Favored 'General case' 0 C--O 1.237 0.424 0 O-C-N 121.531 -0.731 . . . . 39.259999999999998 112.577 -174.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.4 39.23 92.56 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.158 -0.544 . . . . 39.049999999999997 112.807 -171.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -63.22 133.29 54.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.543 0.672 . . . . 44.189999999999998 109.653 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 55.14 41.71 31.35 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 121.132 0.491 . . . . 50.659999999999997 111.878 171.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.95 4.7 72.86 Favored Glycine 0 C--N 1.336 0.564 0 N-CA-C 116.113 1.205 . . . . 50.310000000000002 116.113 175.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 . . . . . 0 C--O 1.235 0.336 0 CA-C-N 118.751 1.275 . . . . 56.030000000000001 113.289 -171.252 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 56.859999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.42 -45.9 88.82 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.421 1.488 . . . . 57.850000000000001 113.225 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.475 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 13.1 t -68.83 -46.13 79.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 120.322 -0.551 . . . . 53.380000000000003 110.258 175.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -59.38 -31.51 69.3 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 119.271 -0.972 . . . . 74.569999999999993 111.153 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.19 -45.05 86.42 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.895 0.378 . . . . 50.590000000000003 111.02 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -59.14 -44.92 92.08 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.24 -0.584 . . . . 50.57 110.738 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' B' ' 2' ' ' VAL . 48.3 mt-10 -60.94 -36.67 79.97 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.657 -0.417 . . . . 60.049999999999997 111.503 -176.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -67.58 -39.91 84.84 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.019 -1.072 . . . . 59.979999999999997 110.94 176.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -70.43 -39.81 74.16 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 119.604 -0.838 . . . . 62.43 110.995 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 24.3 t -56.36 -47.12 81.84 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-O 121.052 0.453 . . . . 43.869999999999997 110.325 176.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.456 ' CD ' ' HB3' ' A' ' 10' ' ' GLU . 14.7 tt0 -68.97 -31.94 71.17 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 119.771 -0.771 . . . . 70.280000000000001 111.391 -175.876 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.9 96.46 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 119.372 -0.931 . . . . 36.630000000000003 110.59 170.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.45 -39.46 93.44 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.567 -0.453 . . . . 33.640000000000001 111.011 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -61.64 -45.53 93.65 Favored 'General case' 0 C--N 1.333 -0.124 0 O-C-N 122.272 -0.268 . . . . 48.310000000000002 111.133 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' NLE . . . . . 0.433 ' HE3' ' HB2' ' B' ' 14' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -58.15 -43.43 87.37 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-N 115.102 -0.954 . . . . 39.049999999999997 111.313 -174.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 14.7 t -66.93 -43.46 89.32 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 115.859 -0.61 . . . . 32.840000000000003 110.558 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -60.62 -42.33 96.64 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 120.254 -0.578 . . . . 44.299999999999997 111.686 175.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.403 ' NZ ' ' HG2' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -61.39 -40.92 96.13 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.538 -0.865 . . . . 53.619999999999997 111.358 175.056 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 23.9 mt -63.96 -45.88 87.13 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.341 -0.544 . . . . 26.48 110.585 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -54.39 -47.02 73.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.475 -0.49 . . . . 27.649999999999999 111.358 177.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -58.17 -49.84 75.6 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.143 -0.348 . . . . 38.350000000000001 111.426 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -61.98 -44.82 95.94 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 119.477 -0.889 . . . . 35.340000000000003 111.623 -179.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.41 -40.11 87.82 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 121.963 -0.461 . . . . 28.710000000000001 110.92 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.69 -37.94 89.29 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.483 -0.887 . . . . 33.280000000000001 110.533 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.05 -45.56 92.45 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.399 -0.52 . . . . 31.050000000000001 110.455 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 89.8 mt -61.46 -45.72 93.06 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.261 -0.575 . . . . 31.93 111.209 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -66.42 -33.52 75.9 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 112.744 0.646 . . . . 51.600000000000001 112.744 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -96.51 -5.81 38.56 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.967 -0.693 . . . . 37.490000000000002 112.505 -173.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.63 33.03 85.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.505 -0.855 . . . . 41.049999999999997 113.734 -171.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 52.2 m0 -61.52 145.62 51.31 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 117.804 0.802 . . . . 43.149999999999999 110.004 175.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 57.6 -119.33 1.17 Allowed 'General case' 0 C--O 1.243 0.72 0 N-CA-C 105.547 -2.02 . . . . 59.049999999999997 105.547 -175.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.203 0 CA-C-N 120.21 1.368 . . . . 52.579999999999998 114.67 177.81 . . . . . . . . 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 ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_