data_5znx_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 5znx _Structure_validation_residue.Date_analyzed 2019-04-05 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 ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.587 0.232 . . . . 74.47 110.723 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.52 -27.78 69.5 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.555 -0.458 . . . . 101.71 111.228 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.1 tpt -57.78 -43.76 85.78 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.54 -0.464 . . . . 98.14 111.07 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -81.04 -18.15 47.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.784 -0.766 . . . . 85.94 112.732 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -82.52 -43.71 16.81 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.03 -0.668 . . . . 74.39 110.373 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -70.97 -36.75 72.65 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.504 -0.479 . . . . 56.68 110.686 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -39.15 93.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.937 -0.705 . . . . 58.65 109.933 178.099 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.09 84.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.667 -0.413 . . . . 37.47 110.732 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -60.3 -43.75 96.04 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.904 -0.318 . . . . 57.55 111.18 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.334 -0.546 . . . . 22.02 111.229 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.81 -37.31 79.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 120.52 -0.472 . . . . 29.05 110.659 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.56 -44.05 84.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.024 -0.67 . . . . 27.75 109.65 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.36 -41.67 80.34 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 122.02 -0.425 . . . . 37.95 111.202 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.8 mt -66.26 -41.78 89.44 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.534 -0.466 . . . . 19.53 111.433 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -62.7 -34.31 76.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.098 -0.641 . . . . 53.95 111.105 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.01 69.56 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.825 -0.75 . . . . 20.0 111.321 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 67.9 mtp -88.76 -17.5 29.71 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.181 0.808 . . . . 25.48 113.181 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.3 58.87 1.71 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 122.21 1.005 . . . . 16.7 112.064 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -156.79 128.92 7.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 106.989 -1.486 . . . . 33.35 106.989 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.39 -49.84 63.66 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.718 0.636 . . . . 55.46 112.444 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -69.95 -44.63 69.14 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.419 -0.512 . . . . 65.63 111.919 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . 0.533 ' NH1' ' O ' ' A' ' 102' ' ' HOH . 91.0 mtm-85 -63.79 -40.04 95.71 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.451 -0.9 . . . . 26.41 110.988 -179.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.63 -39.12 93.14 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.211 -0.595 . . . . 21.91 111.356 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -64.38 -34.98 79.42 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.701 -0.799 . . . . 57.68 111.009 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.23 -48.87 81.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.335 0.588 . . . . 22.03 109.913 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.427 -0.509 . . . . 16.38 111.368 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -61.89 -33.91 75.07 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.217 -0.593 . . . . 29.78 111.341 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.1 tpp -73.45 -24.47 60.23 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.531 -0.467 . . . . 36.6 111.526 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.11 4.05 39.95 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.3 0.481 . . . . 23.67 112.3 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -65.55 112.91 3.83 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.792 -0.818 . . . . 30.46 108.792 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 54.8 38.52 30.35 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.049 0.54 . . . . 48.6 111.124 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -157.64 142.83 16.93 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.397 -0.521 . . . . 52.41 110.121 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -108.95 127.56 54.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.572 -1.64 . . . . 44.36 106.572 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.34 150.31 49.92 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.517 0.675 . . . . 32.29 111.614 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.0 p -88.58 172.82 9.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.773 -1.103 . . . . 44.95 109.641 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 -38.7 82.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.64 -0.709 . . . . 43.8 110.457 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.46 -40.88 91.21 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.11 -1.043 . . . . 48.73 112.707 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.8 -38.88 89.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.148 -0.621 . . . . 53.37 110.818 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.54 -41.28 72.74 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.469 -0.492 . . . . 47.01 110.936 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.66 -41.44 81.51 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.632 0.253 . . . . 76.05 111.402 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -33.53 61.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.372 0.508 . . . . 62.03 112.372 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -85.84 -2.31 58.12 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.782 1.031 . . . . 61.25 113.782 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -126.71 -7.59 6.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 116.006 1.854 . . . . 77.63 116.006 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 55.09 54.17 9.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.659 1.118 . . . . 85.9 109.929 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tt -129.68 141.13 50.96 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.535 -0.757 . . . . 56.32 109.907 -178.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.66 149.61 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 55.88 110.034 178.828 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -34.3 78.09 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.483 -0.887 . . . . 83.28 111.333 -179.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -65.65 -46.86 77.57 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.963 -0.695 . . . . 57.69 110.897 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.96 65.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.49 -0.884 . . . . 42.88 111.352 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.44 -35.06 79.79 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.71 -0.796 . . . . 43.47 110.574 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -69.52 -27.47 65.2 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.385 -0.526 . . . . 42.77 110.849 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -70.8 -42.55 70.15 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.411 -0.516 . . . . 71.76 110.4 178.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -65.27 -42.81 92.83 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.557 -0.457 . . . . 40.66 110.631 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.74 -35.16 80.16 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.837 -0.345 . . . . 33.72 110.856 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.93 89.71 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.97 -0.692 . . . . 34.23 110.626 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.82 -47.98 76.05 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.767 0.318 . . . . 45.0 110.326 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.96 -33.13 74.72 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.53 -0.468 . . . . 22.66 111.491 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -72.9 -46.02 55.02 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.105 -0.638 . . . . 51.47 111.012 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 8.9 tmm_? -60.0 -32.64 71.05 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.24 0.459 . . . . 49.53 112.24 -179.4 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -91.15 5.41 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.405 0.891 . . . . 33.62 113.405 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.45 21.24 73.11 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 117.52 1.768 . . . . 25.11 117.52 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.96 -23.5 22.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 118.899 1.349 . . . . 21.76 112.947 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.19 152.43 25.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.071 -0.715 . . . . 21.43 109.071 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.2 t -129.27 159.67 35.38 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.273 -1.38 . . . . 39.48 107.273 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -117.22 164.85 14.17 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.145 1.165 . . . . 32.61 114.145 -175.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttp85 -149.16 135.57 19.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 105.727 -1.953 . . . . 44.91 105.727 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -109.35 141.51 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.213 0.449 . . . . 73.46 112.213 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.51 78.86 1.48 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 104.069 -2.567 . . . . 54.93 104.069 175.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 67.78 -36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 131.575 3.95 . . . . 80.07 113.324 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -158.28 -20.31 0.08 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.307 0.503 . . . . 75.22 110.719 175.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -82.52 127.89 33.76 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.843 -0.799 . . . . 49.1 108.843 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.4 t -99.06 127.26 51.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.346 -0.613 . . . . 36.75 109.346 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.26 132.94 53.16 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.261 -1.014 . . . . 46.41 108.261 178.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -106.8 150.76 26.01 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.378 0.608 . . . . 29.29 111.36 -178.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -156.7 151.44 25.81 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 114.758 -1.11 . . . . 40.18 109.419 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.8 140.36 58.25 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.082 -1.081 . . . . 21.99 108.082 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.25 -62.95 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 116.148 1.907 . . . . 56.02 116.148 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.9 p -77.28 148.52 35.69 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.434 0.901 . . . . 31.08 113.434 -175.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.0 -31.49 72.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.051 -0.977 . . . . 86.1 110.618 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -66.34 -40.6 89.96 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.902 -0.319 . . . . 64.42 111.013 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.78 -33.59 38.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 118.642 -1.223 . . . . 28.89 110.051 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.51 -40.96 98.43 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.068 -0.653 . . . . 34.16 110.283 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.68 -33.52 71.01 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.987 -0.685 . . . . 18.41 110.949 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 mmt -66.43 -46.8 75.27 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.951 0.405 . . . . 80.46 111.293 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.1 mm -67.62 -37.6 78.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.624 -0.43 . . . . 18.42 110.549 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.11 -43.01 91.89 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.345 -0.542 . . . . 56.11 110.839 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -42.85 73.39 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.211 -0.596 . . . . 17.69 111.046 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.02 -37.17 86.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.889 -0.725 . . . . 24.26 110.831 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 98' ' ' GLU . 7.3 t-80 -57.51 -42.74 83.39 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.919 -0.312 . . . . 43.17 111.32 179.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.1 p -74.73 -21.63 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.736 0.643 . . . . 31.13 112.736 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.2 mt -89.06 -27.91 20.48 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 113.492 0.923 . . . . 37.46 113.492 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -129.2 -31.95 2.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 114.508 1.299 . . . . 45.0 114.508 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.54 15.69 2.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 113.423 0.897 . . . . 48.56 113.423 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.83 15.74 4.04 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.601 1.16 . . . . 83.74 113.54 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLU . . . . . 0.444 ' O ' ' ND1' ' A' ' 92' ' ' HIS . 44.2 tt0 . . . . . 0 C--O 1.234 0.261 0 O-C-N 120.813 -1.179 . . . . 79.19 112.489 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.556 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.533 ' O ' ' NH1' ' A' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.587 0.232 . . . . 74.47 110.723 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.52 -27.78 69.5 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.555 -0.458 . . . . 101.71 111.228 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' SER . 5.1 tpt -57.78 -43.76 85.78 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.54 -0.464 . . . . 98.14 111.07 179.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -81.04 -18.15 47.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.784 -0.766 . . . . 85.94 112.732 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -82.52 -43.71 16.81 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.03 -0.668 . . . . 74.39 110.373 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -70.97 -36.75 72.65 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.504 -0.479 . . . . 56.68 110.686 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -63.44 -39.15 93.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.937 -0.705 . . . . 58.65 109.933 178.099 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.09 84.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.667 -0.413 . . . . 37.47 110.732 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -60.3 -43.75 96.04 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.904 -0.318 . . . . 57.55 111.18 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.334 -0.546 . . . . 22.02 111.229 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.81 -37.31 79.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 120.52 -0.472 . . . . 29.05 110.659 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.56 -44.05 84.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.024 -0.67 . . . . 27.75 109.65 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.36 -41.67 80.34 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 122.02 -0.425 . . . . 37.95 111.202 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.8 mt -66.26 -41.78 89.44 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.534 -0.466 . . . . 19.53 111.433 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -62.7 -34.31 76.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.098 -0.641 . . . . 53.95 111.105 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.01 69.56 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.825 -0.75 . . . . 20.0 111.321 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 67.9 mtp -88.76 -17.5 29.71 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.181 0.808 . . . . 25.48 113.181 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.3 58.87 1.71 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 122.21 1.005 . . . . 16.7 112.064 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -156.79 128.92 7.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 106.989 -1.486 . . . . 33.35 106.989 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.39 -49.84 63.66 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.718 0.636 . . . . 55.46 112.444 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -69.95 -44.63 69.14 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.419 -0.512 . . . . 65.63 111.919 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -63.79 -40.04 95.71 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.451 -0.9 . . . . 26.41 110.988 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.63 -39.12 93.14 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.211 -0.595 . . . . 21.91 111.356 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -64.38 -34.98 79.42 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.701 -0.799 . . . . 57.68 111.009 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.23 -48.87 81.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.335 0.588 . . . . 22.03 109.913 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.427 -0.509 . . . . 16.38 111.368 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -61.89 -33.91 75.07 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.217 -0.593 . . . . 29.78 111.341 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.1 tpp -73.45 -24.47 60.23 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.531 -0.467 . . . . 36.6 111.526 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.11 4.05 39.95 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.3 0.481 . . . . 23.67 112.3 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -65.55 112.91 3.83 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.792 -0.818 . . . . 30.46 108.792 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 54.8 38.52 30.35 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.049 0.54 . . . . 48.6 111.124 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -157.64 142.83 16.93 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.397 -0.521 . . . . 52.41 110.121 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -108.95 127.56 54.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.572 -1.64 . . . . 44.36 106.572 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.34 150.31 49.92 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.517 0.675 . . . . 32.29 111.614 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.0 p -88.58 172.82 9.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.773 -1.103 . . . . 44.95 109.641 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 -38.7 82.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.64 -0.709 . . . . 43.8 110.457 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.46 -40.88 91.21 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.11 -1.043 . . . . 48.73 112.707 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.8 -38.88 89.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.148 -0.621 . . . . 53.37 110.818 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.54 -41.28 72.74 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.469 -0.492 . . . . 47.01 110.936 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.66 -41.44 81.51 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.632 0.253 . . . . 76.05 111.402 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -33.53 61.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.372 0.508 . . . . 62.03 112.372 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -85.84 -2.31 58.12 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.782 1.031 . . . . 61.25 113.782 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -126.71 -7.59 6.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 116.006 1.854 . . . . 77.63 116.006 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 55.09 54.17 9.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.659 1.118 . . . . 85.9 109.929 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tt -129.68 141.13 50.96 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.535 -0.757 . . . . 56.32 109.907 -178.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.66 149.61 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 55.88 110.034 178.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -34.3 78.09 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.483 -0.887 . . . . 83.28 111.333 -179.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -65.65 -46.86 77.57 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.963 -0.695 . . . . 57.69 110.897 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.96 65.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.49 -0.884 . . . . 42.88 111.352 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.44 -35.06 79.79 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.71 -0.796 . . . . 43.47 110.574 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -69.52 -27.47 65.2 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.385 -0.526 . . . . 42.77 110.849 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -70.8 -42.55 70.15 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.411 -0.516 . . . . 71.76 110.4 178.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -65.27 -42.81 92.83 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.557 -0.457 . . . . 40.66 110.631 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.74 -35.16 80.16 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.837 -0.345 . . . . 33.72 110.856 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.93 89.71 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.97 -0.692 . . . . 34.23 110.626 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.82 -47.98 76.05 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.767 0.318 . . . . 45.0 110.326 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.96 -33.13 74.72 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.53 -0.468 . . . . 22.66 111.491 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -72.9 -46.02 55.02 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.105 -0.638 . . . . 51.47 111.012 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 8.9 tmm_? -60.0 -32.64 71.05 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.24 0.459 . . . . 49.53 112.24 -179.4 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -91.15 5.41 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.405 0.891 . . . . 33.62 113.405 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.45 21.24 73.11 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 117.52 1.768 . . . . 25.11 117.52 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.96 -23.5 22.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 118.899 1.349 . . . . 21.76 112.947 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.19 152.43 25.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.071 -0.715 . . . . 21.43 109.071 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.2 t -129.27 159.67 35.38 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.273 -1.38 . . . . 39.48 107.273 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -117.22 164.85 14.17 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.145 1.165 . . . . 32.61 114.145 -175.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttp85 -149.16 135.57 19.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 105.727 -1.953 . . . . 44.91 105.727 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -109.35 141.51 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.213 0.449 . . . . 73.46 112.213 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . 0.491 ' HB2' ' HE2' ' A' ' 76' ' ' TYR . 3.4 mt-10 -121.51 78.86 1.48 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 104.069 -2.567 . . . . 54.93 104.069 175.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 67.78 -36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 131.575 3.95 . . . . 80.07 113.324 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -158.28 -20.31 0.08 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.307 0.503 . . . . 75.22 110.719 175.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -82.52 127.89 33.76 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.843 -0.799 . . . . 49.1 108.843 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.4 t -99.06 127.26 51.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.346 -0.613 . . . . 36.75 109.346 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' HE2' ' HB2' ' A' ' 71' ' ' GLU . 96.6 m-85 -108.26 132.94 53.16 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.261 -1.014 . . . . 46.41 108.261 178.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -106.8 150.76 26.01 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.378 0.608 . . . . 29.29 111.36 -178.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -156.7 151.44 25.81 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 114.758 -1.11 . . . . 40.18 109.419 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.8 140.36 58.25 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.082 -1.081 . . . . 21.99 108.082 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.25 -62.95 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 116.148 1.907 . . . . 56.02 116.148 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.9 p -77.28 148.52 35.69 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.434 0.901 . . . . 31.08 113.434 -175.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.0 -31.49 72.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.051 -0.977 . . . . 86.1 110.618 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -66.34 -40.6 89.96 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.902 -0.319 . . . . 64.42 111.013 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.78 -33.59 38.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 118.642 -1.223 . . . . 28.89 110.051 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.51 -40.96 98.43 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.068 -0.653 . . . . 34.16 110.283 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.68 -33.52 71.01 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.987 -0.685 . . . . 18.41 110.949 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 mmt -66.43 -46.8 75.27 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.951 0.405 . . . . 80.46 111.293 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.1 mm -67.62 -37.6 78.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.624 -0.43 . . . . 18.42 110.549 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.11 -43.01 91.89 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.345 -0.542 . . . . 56.11 110.839 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -42.85 73.39 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.211 -0.596 . . . . 17.69 111.046 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.02 -37.17 86.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.889 -0.725 . . . . 24.26 110.831 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -57.51 -42.74 83.39 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.919 -0.312 . . . . 43.17 111.32 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.1 p -74.73 -21.63 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.736 0.643 . . . . 31.13 112.736 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.2 mt -89.06 -27.91 20.48 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 113.492 0.923 . . . . 37.46 113.492 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -129.2 -31.95 2.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 114.508 1.299 . . . . 45.0 114.508 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.54 15.69 2.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 113.423 0.897 . . . . 48.56 113.423 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.83 15.74 4.04 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.601 1.16 . . . . 83.74 113.54 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.234 0.261 0 O-C-N 120.813 -1.179 . . . . 79.19 112.489 179.568 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.556 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.587 0.232 . . . . 74.47 110.723 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -63.52 -27.78 69.5 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.555 -0.458 . . . . 101.71 111.228 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' MET . . . . . 0.42 ' O ' ' HB2' ' A' ' 10' ' ' SER . 5.1 tpt -57.78 -43.76 85.78 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.54 -0.464 . . . . 98.14 111.07 179.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -81.04 -18.15 47.74 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 119.784 -0.766 . . . . 85.94 112.732 179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -82.52 -43.71 16.81 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.03 -0.668 . . . . 74.39 110.373 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -70.97 -36.75 72.65 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.504 -0.479 . . . . 56.68 110.686 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.9 OUTLIER -63.44 -39.15 93.71 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 119.937 -0.705 . . . . 58.65 109.933 178.099 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.76 -43.09 84.99 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.667 -0.413 . . . . 37.47 110.732 178.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mtmt -60.3 -43.75 96.04 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.904 -0.318 . . . . 57.55 111.18 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.334 -0.546 . . . . 22.02 111.229 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.1 t -63.81 -37.31 79.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 C-N-CA 120.52 -0.472 . . . . 29.05 110.659 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 t -57.56 -44.05 84.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 C-N-CA 120.024 -0.67 . . . . 27.75 109.65 177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.5 tp -68.36 -41.67 80.34 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 122.02 -0.425 . . . . 37.95 111.202 179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.8 mt -66.26 -41.78 89.44 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.534 -0.466 . . . . 19.53 111.433 -179.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -62.7 -34.31 76.87 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 120.098 -0.641 . . . . 53.95 111.105 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.01 69.56 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 119.825 -0.75 . . . . 20.0 111.321 179.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 67.9 mtp -88.76 -17.5 29.71 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.181 0.808 . . . . 25.48 113.181 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.3 58.87 1.71 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 122.21 1.005 . . . . 16.7 112.064 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -156.79 128.92 7.36 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 106.989 -1.486 . . . . 33.35 106.989 179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -52.39 -49.84 63.66 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.718 0.636 . . . . 55.46 112.444 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.699 HH21 HE22 ' A' ' 27' ' ' GLN . 2.5 mmp_? -69.95 -44.63 69.14 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 120.419 -0.512 . . . . 65.63 111.919 -178.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -63.79 -40.04 95.71 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.451 -0.9 . . . . 26.41 110.988 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.63 -39.12 93.14 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.211 -0.595 . . . . 21.91 111.356 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.699 HE22 HH21 ' A' ' 24' ' ' ARG . 23.8 mt-30 -64.38 -34.98 79.42 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.701 -0.799 . . . . 57.68 111.009 179.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.23 -48.87 81.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-O 121.335 0.588 . . . . 22.03 109.913 178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.67 -42.71 99.29 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.427 -0.509 . . . . 16.38 111.368 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -61.89 -33.91 75.07 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.217 -0.593 . . . . 29.78 111.341 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 19.1 tpp -73.45 -24.47 60.23 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.531 -0.467 . . . . 36.6 111.526 179.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.8 mt -86.11 4.05 39.95 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.3 0.481 . . . . 23.67 112.3 -179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -65.55 112.91 3.83 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.792 -0.818 . . . . 30.46 108.792 179.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 54.8 38.52 30.35 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.049 0.54 . . . . 48.6 111.124 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.0 tp60 -157.64 142.83 16.93 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.397 -0.521 . . . . 52.41 110.121 -178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -108.95 127.56 54.17 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.572 -1.64 . . . . 44.36 106.572 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 91.4 mt -135.34 150.31 49.92 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 121.517 0.675 . . . . 32.29 111.614 -178.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 96.0 p -88.58 172.82 9.03 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.773 -1.103 . . . . 44.95 109.641 178.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -63.23 -38.7 82.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 CA-C-N 115.64 -0.709 . . . . 43.8 110.457 179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.46 -40.88 91.21 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 120.11 -1.043 . . . . 48.73 112.707 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.8 -38.88 89.75 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.148 -0.621 . . . . 53.37 110.818 179.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.6 mt -70.54 -41.28 72.74 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.469 -0.492 . . . . 47.01 110.936 178.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -57.66 -41.44 81.51 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 120.632 0.253 . . . . 76.05 111.402 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.97 -33.53 61.89 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.372 0.508 . . . . 62.03 112.372 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 mttm -85.84 -2.31 58.12 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.782 1.031 . . . . 61.25 113.782 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.1 mt -126.71 -7.59 6.19 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 116.006 1.854 . . . . 77.63 116.006 -178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 55.09 54.17 9.24 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.659 1.118 . . . . 85.9 109.929 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 tt -129.68 141.13 50.96 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.535 -0.757 . . . . 56.32 109.907 -178.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.66 149.61 48.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.401 0.62 . . . . 55.88 110.034 178.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -34.3 78.09 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.483 -0.887 . . . . 83.28 111.333 -179.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.0 t -65.65 -46.86 77.57 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.963 -0.695 . . . . 57.69 110.897 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.29 -33.96 65.49 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.49 -0.884 . . . . 42.88 111.352 179.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.44 -35.06 79.79 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.71 -0.796 . . . . 43.47 110.574 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.1 m -69.52 -27.47 65.2 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.385 -0.526 . . . . 42.77 110.849 178.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -70.8 -42.55 70.15 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.411 -0.516 . . . . 71.76 110.4 178.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -65.27 -42.81 92.83 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.557 -0.457 . . . . 40.66 110.631 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.74 -35.16 80.16 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 120.837 -0.345 . . . . 33.72 110.856 179.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.93 89.71 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.97 -0.692 . . . . 34.23 110.626 178.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -64.82 -47.98 76.05 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.767 0.318 . . . . 45.0 110.326 178.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.96 -33.13 74.72 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.53 -0.468 . . . . 22.66 111.491 179.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -72.9 -46.02 55.02 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.105 -0.638 . . . . 51.47 111.012 179.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.556 ' NH2' ' O ' ' A' ' 101' ' ' HOH . 8.9 tmm_? -60.0 -32.64 71.05 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.24 0.459 . . . . 49.53 112.24 -179.4 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -91.15 5.41 49.14 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.405 0.891 . . . . 33.62 113.405 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.45 21.24 73.11 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 117.52 1.768 . . . . 25.11 117.52 177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mp -88.96 -23.5 22.65 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 118.899 1.349 . . . . 21.76 112.947 179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.0 m -138.19 152.43 25.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 N-CA-C 109.071 -0.715 . . . . 21.43 109.071 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.2 t -129.27 159.67 35.38 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 107.273 -1.38 . . . . 39.48 107.273 177.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 29.1 p -117.22 164.85 14.17 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 114.145 1.165 . . . . 32.61 114.145 -175.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 ttp85 -149.16 135.57 19.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 105.727 -1.953 . . . . 44.91 105.727 178.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -109.35 141.51 41.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.213 0.449 . . . . 73.46 112.213 -177.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.491 ' HB2' ' HE2' ' A' ' 76' ' ' TYR . 3.4 mt-10 -121.51 78.86 1.48 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 104.069 -2.567 . . . . 54.93 104.069 175.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 67.78 -36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 131.575 3.95 . . . . 80.07 113.324 -178.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -158.28 -20.31 0.08 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.307 0.503 . . . . 75.22 110.719 175.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.9 m -82.52 127.89 33.76 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 108.843 -0.799 . . . . 49.1 108.843 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 43.4 t -99.06 127.26 51.9 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.346 -0.613 . . . . 36.75 109.346 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.491 ' HE2' ' HB2' ' A' ' 71' ' ' GLU . 96.6 m-85 -108.26 132.94 53.16 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.261 -1.014 . . . . 46.41 108.261 178.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -106.8 150.76 26.01 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 121.378 0.608 . . . . 29.29 111.36 -178.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.5 t -156.7 151.44 25.81 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-N 114.758 -1.11 . . . . 40.18 109.419 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.0 mt -61.8 140.36 58.25 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.082 -1.081 . . . . 21.99 108.082 177.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.25 -62.95 1.22 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 116.148 1.907 . . . . 56.02 116.148 -176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.9 p -77.28 148.52 35.69 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 113.434 0.901 . . . . 31.08 113.434 -175.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.0 -31.49 72.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.051 -0.977 . . . . 86.1 110.618 178.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 55.6 mp0 -66.34 -40.6 89.96 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.902 -0.319 . . . . 64.42 111.013 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.7 p -73.78 -33.59 38.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 C-N-CA 118.642 -1.223 . . . . 28.89 110.051 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.51 -40.96 98.43 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.068 -0.653 . . . . 34.16 110.283 178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.68 -33.52 71.01 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.987 -0.685 . . . . 18.41 110.949 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.2 mmt -66.43 -46.8 75.27 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-O 120.951 0.405 . . . . 80.46 111.293 179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 45.1 mm -67.62 -37.6 78.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 C-N-CA 120.624 -0.43 . . . . 18.42 110.549 -179.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -59.11 -43.01 91.89 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.345 -0.542 . . . . 56.11 110.839 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 48.4 tp -69.74 -42.85 73.39 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.211 -0.596 . . . . 17.69 111.046 178.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.0 mt -64.02 -37.17 86.46 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.889 -0.725 . . . . 24.26 110.831 179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -57.51 -42.74 83.39 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.919 -0.312 . . . . 43.17 111.32 179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 80.1 p -74.73 -21.63 59.26 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.736 0.643 . . . . 31.13 112.736 -179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.2 mt -89.06 -27.91 20.48 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 113.492 0.923 . . . . 37.46 113.492 -179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -129.2 -31.95 2.06 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 114.508 1.299 . . . . 45.0 114.508 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 95.9 m -83.54 15.69 2.98 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 113.423 0.897 . . . . 48.56 113.423 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 58.83 15.74 4.04 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 124.601 1.16 . . . . 83.74 113.54 178.257 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.234 0.261 0 O-C-N 120.813 -1.179 . . . . 79.19 112.489 179.568 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.556 ' O ' ' NH2' ' A' ' 62' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_