data_6w37_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 6w37 _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 ' 1' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.812 0.339 . . . . 66.17 110.739 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.14 121.67 29.92 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.239 -0.652 . . . . 53.76 109.239 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -93.03 153.92 18.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.59 . . . . 49.25 110.639 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.06 157.65 41.8 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.478 -0.783 . . . . 27.94 109.319 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -153.22 147.92 26.27 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.485 -0.931 . . . . 44.33 108.485 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -170.22 143.25 2.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.022 -0.733 . . . . 54.62 109.022 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -107.31 134.75 49.92 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.638 0.586 . . . . 65.11 109.906 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -135.81 160.82 37.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 49.21 109.434 -178.448 55.75 79.097 89.043 104.281 2.03 104.309 78.997 176.554 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.3 t -84.04 138.74 18.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.238 -0.892 . . . . 39.33 109.251 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -57.04 134.11 55.54 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.216 -0.447 . . . . 48.77 110.64 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.72 -43.35 2.98 Favored Glycine 0 N--CA 1.454 -0.13 0 N-CA-C 114.922 0.729 . . . . 71.18 114.922 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -62.57 144.48 56.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.254 0.527 . . . . 63.95 110.571 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -71.8 159.73 33.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.736 0.779 . . . . 63.22 110.297 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.49 121.54 16.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 107.703 -1.221 . . . . 52.73 107.703 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 141.7 35.45 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.17 -0.678 . . . . 71.88 109.17 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -142.35 159.6 41.91 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.585 0.707 . . . . 47.28 109.471 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -85.44 144.63 27.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.063 -0.971 . . . . 61.08 109.977 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -74.33 132.37 79.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 61.04 109.608 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.1 -18.72 45.68 Favored 'Trans proline' 0 C--O 1.237 0.459 0 CA-C-N 119.089 0.71 . . . . 42.01 113.268 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -149.99 171.59 16.58 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.608 -0.886 . . . . 56.04 108.608 175.338 43.192 -112.524 -80.33 103.745 2.03 103.502 -67.81 -70.868 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.2 p -60.05 -66.38 0.53 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.437 -0.801 . . . . 60.93 111.12 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.4 p -103.16 -86.92 0.43 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.354 0.121 . . . . 41.24 110.754 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.43 178.4 5.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.4 -0.429 . . . . 42.12 112.837 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -120.92 127.78 52.17 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.102 -0.703 . . . . 31.94 109.102 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -98.54 150.21 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.193 0.52 . . . . 54.4 110.669 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -150.25 111.25 4.34 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.077 -1.083 . . . . 50.05 108.077 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 -176.72 23.23 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.253 -0.739 . . . . 40.43 111.253 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -96.94 20.89 10.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.064 -0.568 . . . . 50.84 112.372 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -159.67 154.35 20.87 Favored Pre-proline 0 C--O 1.236 0.38 0 N-CA-C 108.11 -1.07 . . . . 65.69 108.11 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.4 152.85 70.0 Favored 'Trans proline' 0 C--N 1.333 -0.251 0 CA-C-O 121.718 0.633 . . . . 56.22 111.782 -177.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -88.42 120.09 29.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.097 -0.956 . . . . 53.31 109.094 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -108.11 88.74 4.97 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 109.433 -0.58 . . . . 59.04 109.433 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.34 149.36 24.58 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 CA-C-O 121.917 0.715 . . . . 51.25 112.272 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.1 mt -128.64 -179.95 5.35 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.837 -1.074 . . . . 62.47 108.495 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 166.43 19.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 122.002 0.906 . . . . 63.48 110.478 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 64.3 29.7 13.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.271 -0.877 . . . . 84.11 111.893 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 55.16 63.23 2.18 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.01 0.909 . . . . 77.82 111.083 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -134.83 161.08 36.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.019 -0.991 . . . . 94.39 109.033 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -139.57 137.76 35.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.889 -0.596 . . . . 42.37 109.48 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.3 159.17 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.517 0.675 . . . . 55.62 110.28 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 pp -167.52 158.52 11.46 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.442 -0.799 . . . . 43.8 109.295 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -75.81 150.04 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.271 -0.877 . . . . 39.02 110.467 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.11 128.56 33.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.493 -0.776 . . . . 49.63 110.612 -177.353 176.554 78.997 89.043 104.309 2.03 104.281 79.097 55.75 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -174.06 135.11 0.46 Allowed 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.179 -1.045 . . . . 32.05 108.179 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.0 m -50.26 114.19 1.05 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.585 0.553 . . . . 47.07 110.45 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -165.19 173.72 11.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.463 0.649 . . . . 39.11 109.407 -173.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -140.14 140.76 36.05 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.084 -0.962 . . . . 52.04 109.255 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -144.04 -176.54 5.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.597 -0.89 . . . . 39.99 108.597 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 153.79 34.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.47 0.653 . . . . 26.96 110.993 -171.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -127.5 135.15 49.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.741 -1.118 . . . . 35.99 108.775 173.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.95 111.83 23.71 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.52 -1.289 . . . . 29.32 107.52 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.1 159.58 30.41 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 31.49 111.054 -174.348 -70.868 -67.81 -80.33 103.502 2.03 103.745 -112.524 43.192 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.77 -31.02 78.57 Favored 'Trans proline' 0 C--O 1.237 0.458 0 N-CA-C 113.531 0.55 . . . . 33.37 113.531 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -67.69 -7.04 23.74 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 113.049 0.759 . . . . 40.93 113.049 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.54 16.11 55.68 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-O 119.278 -0.735 . . . . 43.38 114.633 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.17 120.97 60.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.924 -1.139 . . . . 46.09 107.924 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' HOH . 87.7 tttt -91.48 108.49 19.93 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.559 -0.904 . . . . 52.94 108.559 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -89.84 105.38 17.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.633 -0.877 . . . . 43.78 108.633 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.51 136.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.728 -0.842 . . . . 28.12 108.728 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -122.78 140.56 52.78 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.218 0.607 . . . . 44.82 109.504 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -139.1 122.96 17.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.521 -0.918 . . . . 48.2 108.521 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.3 mt -108.99 138.23 45.66 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 109.873 -0.417 . . . . 54.41 109.873 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -113.08 124.82 53.49 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.697 -0.853 . . . . 75.16 108.697 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 41.62 110.473 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.6 ptt85 -132.8 153.22 51.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.838 -0.619 . . . . 45.38 109.352 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.667 -0.697 . . . . 57.4 110.962 -178.846 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.812 0.339 . . . . 66.170000000000002 110.739 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.14 121.67 29.92 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.239 -0.652 . . . . 53.759999999999998 109.239 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -93.03 153.92 18.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.59 . . . . 49.25 110.639 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.06 157.65 41.8 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.478 -0.783 . . . . 27.940000000000001 109.319 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -153.22 147.92 26.27 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.485 -0.931 . . . . 44.329999999999998 108.485 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -170.22 143.25 2.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.022 -0.733 . . . . 54.619999999999997 109.022 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -107.31 134.75 49.92 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.638 0.586 . . . . 65.109999999999999 109.906 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -135.81 160.82 37.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 49.210000000000001 109.434 -178.448 55.75 79.097 89.043 104.281 2.03 104.309 78.997 176.554 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.3 t -84.04 138.74 18.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.238 -0.892 . . . . 39.329999999999998 109.251 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -57.04 134.11 55.54 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.216 -0.447 . . . . 48.770000000000003 110.64 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.72 -43.35 2.98 Favored Glycine 0 N--CA 1.454 -0.13 0 N-CA-C 114.922 0.729 . . . . 71.180000000000007 114.922 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -62.57 144.48 56.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.254 0.527 . . . . 63.950000000000003 110.571 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -71.8 159.73 33.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.736 0.779 . . . . 63.219999999999999 110.297 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.49 121.54 16.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 107.703 -1.221 . . . . 52.729999999999997 107.703 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 141.7 35.45 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.17 -0.678 . . . . 71.879999999999995 109.17 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -142.35 159.6 41.91 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.585 0.707 . . . . 47.280000000000001 109.471 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -85.44 144.63 27.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.063 -0.971 . . . . 61.079999999999998 109.977 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -74.33 132.37 79.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 61.039999999999999 109.608 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.1 -18.72 45.68 Favored 'Trans proline' 0 C--O 1.237 0.459 0 CA-C-N 119.089 0.71 . . . . 42.009999999999998 113.268 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -149.99 171.59 16.58 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.608 -0.886 . . . . 56.039999999999999 108.608 175.338 43.192 -112.524 -80.33 103.745 2.03 103.502 -67.81 -70.868 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.2 p -60.05 -66.38 0.53 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.437 -0.801 . . . . 60.93 111.12 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.4 p -103.16 -86.92 0.43 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.354 0.121 . . . . 41.240000000000002 110.754 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.43 178.4 5.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.4 -0.429 . . . . 42.119999999999997 112.837 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -120.92 127.78 52.17 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.102 -0.703 . . . . 31.940000000000001 109.102 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -98.54 150.21 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.193 0.52 . . . . 54.399999999999999 110.669 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -150.25 111.25 4.34 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.077 -1.083 . . . . 50.049999999999997 108.077 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 -176.72 23.23 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.253 -0.739 . . . . 40.43 111.253 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -96.94 20.89 10.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.064 -0.568 . . . . 50.840000000000003 112.372 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -159.67 154.35 20.87 Favored Pre-proline 0 C--O 1.236 0.38 0 N-CA-C 108.11 -1.07 . . . . 65.689999999999998 108.11 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.4 152.85 70.0 Favored 'Trans proline' 0 C--N 1.333 -0.251 0 CA-C-O 121.718 0.633 . . . . 56.219999999999999 111.782 -177.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -88.42 120.09 29.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.097 -0.956 . . . . 53.310000000000002 109.094 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -108.11 88.74 4.97 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 109.433 -0.58 . . . . 59.039999999999999 109.433 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.34 149.36 24.58 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 CA-C-O 121.917 0.715 . . . . 51.25 112.272 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.1 mt -128.64 -179.95 5.35 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.837 -1.074 . . . . 62.469999999999999 108.495 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 166.43 19.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 122.002 0.906 . . . . 63.479999999999997 110.478 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 64.3 29.7 13.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.271 -0.877 . . . . 84.109999999999999 111.893 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 55.16 63.23 2.18 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.01 0.909 . . . . 77.819999999999993 111.083 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -134.83 161.08 36.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.019 -0.991 . . . . 94.390000000000001 109.033 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -139.57 137.76 35.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.889 -0.596 . . . . 42.369999999999997 109.48 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.3 159.17 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.517 0.675 . . . . 55.619999999999997 110.28 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 pp -167.52 158.52 11.46 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.442 -0.799 . . . . 43.799999999999997 109.295 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -75.81 150.04 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.271 -0.877 . . . . 39.020000000000003 110.467 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.11 128.56 33.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.493 -0.776 . . . . 49.630000000000003 110.612 -177.353 176.554 78.997 89.043 104.309 2.03 104.281 79.097 55.75 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -174.06 135.11 0.46 Allowed 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.179 -1.045 . . . . 32.049999999999997 108.179 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.0 m -50.26 114.19 1.05 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.585 0.553 . . . . 47.07 110.45 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -165.19 173.72 11.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.463 0.649 . . . . 39.109999999999999 109.407 -173.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -140.14 140.76 36.05 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.084 -0.962 . . . . 52.039999999999999 109.255 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -144.04 -176.54 5.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.597 -0.89 . . . . 39.990000000000002 108.597 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 153.79 34.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.47 0.653 . . . . 26.960000000000001 110.993 -171.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -127.5 135.15 49.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.741 -1.118 . . . . 35.990000000000002 108.775 173.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.95 111.83 23.71 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.52 -1.289 . . . . 29.32 107.52 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.1 159.58 30.41 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 31.489999999999998 111.054 -174.348 -70.868 -67.81 -80.33 103.502 2.03 103.745 -112.524 43.192 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.77 -31.02 78.57 Favored 'Trans proline' 0 C--O 1.237 0.458 0 N-CA-C 113.531 0.55 . . . . 33.369999999999997 113.531 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -67.69 -7.04 23.74 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 113.049 0.759 . . . . 40.93 113.049 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.54 16.11 55.68 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-O 119.278 -0.735 . . . . 43.380000000000003 114.633 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.17 120.97 60.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.924 -1.139 . . . . 46.090000000000003 107.924 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' HOH . 87.7 tttt -91.48 108.49 19.93 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.559 -0.904 . . . . 52.939999999999998 108.559 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -89.84 105.38 17.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.633 -0.877 . . . . 43.780000000000001 108.633 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.51 136.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.728 -0.842 . . . . 28.120000000000001 108.728 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -122.78 140.56 52.78 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.218 0.607 . . . . 44.82 109.504 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -139.1 122.96 17.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.521 -0.918 . . . . 48.200000000000003 108.521 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.3 mt -108.99 138.23 45.66 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 109.873 -0.417 . . . . 54.409999999999997 109.873 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -113.08 124.82 53.49 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.697 -0.853 . . . . 75.159999999999997 108.697 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 41.619999999999997 110.473 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.6 ptt85 -132.8 153.22 51.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.838 -0.619 . . . . 45.380000000000003 109.352 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.667 -0.697 . . . . 57.399999999999999 110.962 -178.846 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.812 0.339 . . . . 66.17 110.739 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 48.3 mt -87.14 121.67 29.92 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.239 -0.652 . . . . 53.76 109.239 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -93.03 153.92 18.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.338 0.59 . . . . 49.25 110.639 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -130.06 157.65 41.8 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.478 -0.783 . . . . 27.94 109.319 178.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.9 t80 -153.22 147.92 26.27 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 108.485 -0.931 . . . . 44.33 108.485 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -170.22 143.25 2.37 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.022 -0.733 . . . . 54.62 109.022 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 81.1 mt-10 -107.31 134.75 49.92 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 123.638 0.586 . . . . 65.11 109.906 177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.2 p -135.81 160.82 37.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.427 0.632 . . . . 49.21 109.434 -178.448 55.75 79.097 89.043 104.281 2.03 104.309 78.997 176.554 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.3 t -84.04 138.74 18.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.238 -0.892 . . . . 39.33 109.251 179.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -57.04 134.11 55.54 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.216 -0.447 . . . . 48.77 110.64 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.72 -43.35 2.98 Favored Glycine 0 N--CA 1.454 -0.13 0 N-CA-C 114.922 0.729 . . . . 71.18 114.922 177.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -62.57 144.48 56.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 117.254 0.527 . . . . 63.95 110.571 -177.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 m -71.8 159.73 33.81 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.736 0.779 . . . . 63.22 110.297 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.2 t -139.49 121.54 16.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 N-CA-C 107.703 -1.221 . . . . 52.73 107.703 179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 141.7 35.45 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.17 -0.678 . . . . 71.88 109.17 175.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.2 mt -142.35 159.6 41.91 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.585 0.707 . . . . 47.28 109.471 -177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -85.44 144.63 27.87 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.063 -0.971 . . . . 61.08 109.977 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -74.33 132.37 79.13 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.981 -0.554 . . . . 61.04 109.608 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.1 -18.72 45.68 Favored 'Trans proline' 0 C--O 1.237 0.459 0 CA-C-N 119.089 0.71 . . . . 42.01 113.268 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.5 p -149.99 171.59 16.58 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.608 -0.886 . . . . 56.04 108.608 175.338 43.192 -112.524 -80.33 103.745 2.03 103.502 -67.81 -70.868 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.2 p -60.05 -66.38 0.53 Allowed 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.437 -0.801 . . . . 60.93 111.12 -177.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.4 p -103.16 -86.92 0.43 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.354 0.121 . . . . 41.24 110.754 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.43 178.4 5.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.4 -0.429 . . . . 42.12 112.837 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.8 p -120.92 127.78 52.17 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 109.102 -0.703 . . . . 31.94 109.102 -179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -98.54 150.21 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.193 0.52 . . . . 54.4 110.669 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -150.25 111.25 4.34 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.077 -1.083 . . . . 50.05 108.077 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.85 -176.72 23.23 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.253 -0.739 . . . . 40.43 111.253 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -96.94 20.89 10.43 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.064 -0.568 . . . . 50.84 112.372 -179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.7 p -159.67 154.35 20.87 Favored Pre-proline 0 C--O 1.236 0.38 0 N-CA-C 108.11 -1.07 . . . . 65.69 108.11 -179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.4 152.85 70.0 Favored 'Trans proline' 0 C--N 1.333 -0.251 0 CA-C-O 121.718 0.633 . . . . 56.22 111.782 -177.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -88.42 120.09 29.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.097 -0.956 . . . . 53.31 109.094 -179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -108.11 88.74 4.97 Favored Pre-proline 0 C--O 1.24 0.597 0 N-CA-C 109.433 -0.58 . . . . 59.04 109.433 -176.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.34 149.36 24.58 Favored 'Trans proline' 0 C--N 1.33 -0.399 0 CA-C-O 121.917 0.715 . . . . 51.25 112.272 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 92.1 mt -128.64 -179.95 5.35 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.837 -1.074 . . . . 62.47 108.495 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.1 166.43 19.84 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 122.002 0.906 . . . . 63.48 110.478 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 64.3 29.7 13.62 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.271 -0.877 . . . . 84.11 111.893 177.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 55.16 63.23 2.18 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 122.01 0.909 . . . . 77.82 111.083 176.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -134.83 161.08 36.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.019 -0.991 . . . . 94.39 109.033 176.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -139.57 137.76 35.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.889 -0.596 . . . . 42.37 109.48 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -112.3 159.17 18.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.517 0.675 . . . . 55.62 110.28 -177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.6 pp -167.52 158.52 11.46 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.442 -0.799 . . . . 43.8 109.295 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.1 m -75.81 150.04 37.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.271 -0.877 . . . . 39.02 110.467 179.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 44.6 t -80.11 128.56 33.65 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.493 -0.776 . . . . 49.63 110.612 -177.353 176.554 78.997 89.043 104.309 2.03 104.281 79.097 55.75 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -174.06 135.11 0.46 Allowed 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.179 -1.045 . . . . 32.05 108.179 174.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.0 m -50.26 114.19 1.05 Allowed 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.585 0.553 . . . . 47.07 110.45 -177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -165.19 173.72 11.04 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.463 0.649 . . . . 39.11 109.407 -173.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -140.14 140.76 36.05 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.084 -0.962 . . . . 52.04 109.255 176.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -144.04 -176.54 5.04 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.597 -0.89 . . . . 39.99 108.597 175.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.77 153.79 34.99 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.47 0.653 . . . . 26.96 110.993 -171.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -127.5 135.15 49.97 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 114.741 -1.118 . . . . 35.99 108.775 173.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.95 111.83 23.71 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.52 -1.289 . . . . 29.32 107.52 174.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.7 m -98.1 159.58 30.41 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 31.49 111.054 -174.348 -70.868 -67.81 -80.33 103.502 2.03 103.745 -112.524 43.192 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.77 -31.02 78.57 Favored 'Trans proline' 0 C--O 1.237 0.458 0 N-CA-C 113.531 0.55 . . . . 33.37 113.531 -178.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 53.4 p30 -67.69 -7.04 23.74 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 113.049 0.759 . . . . 40.93 113.049 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 90.54 16.11 55.68 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-O 119.278 -0.735 . . . . 43.38 114.633 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.4 t -108.17 120.97 60.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 107.924 -1.139 . . . . 46.09 107.924 -178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' HOH . 87.7 tttt -91.48 108.49 19.93 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.559 -0.904 . . . . 52.94 108.559 178.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 56.3 m-70 -89.84 105.38 17.76 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.633 -0.877 . . . . 43.78 108.633 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.51 136.59 23.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 108.728 -0.842 . . . . 28.12 108.728 177.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -122.78 140.56 52.78 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 123.218 0.607 . . . . 44.82 109.504 -178.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -139.1 122.96 17.69 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 108.521 -0.918 . . . . 48.2 108.521 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 29.3 mt -108.99 138.23 45.66 Favored 'General case' 0 C--O 1.237 0.439 0 N-CA-C 109.873 -0.417 . . . . 54.41 109.873 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -113.08 124.82 53.49 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 108.697 -0.853 . . . . 75.16 108.697 175.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -96.52 135.41 38.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.36 -0.382 . . . . 41.62 110.473 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.6 ptt85 -132.8 153.22 51.47 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.838 -0.619 . . . . 45.38 109.352 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.667 -0.697 . . . . 57.4 110.962 -178.846 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.411 ' O ' ' N ' ' A' ' 57' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_