data_6nzx_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 6nzx _Structure_validation_residue.Date_analyzed 2019-03-06 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' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 108.91 -0.774 . . . . 41.82 108.91 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -111.94 167.29 10.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.065 0.936 . . . . 59.68 110.422 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.33 121.07 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 107.161 -1.422 . . . . 22.949999999999999 107.161 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' O ' ' N ' ' A' ' 76' ' ' ARG . 97.3 m-85 -107.01 133.69 51.28 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.06 1.344 . . . . 23.829999999999998 108.172 -177.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -80.25 164.7 23.02 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 106.779 -1.563 . . . . 21.420000000000002 106.779 158.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -67.87 -31.81 71.88 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 122.896 0.479 . . . . 31.030000000000001 109.837 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' O ' ' OG ' ' A' ' 10' ' ' SER . 6.8 tt0 -63.55 -46.32 86.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.931 -1.137 . . . . 54.119999999999997 107.931 178.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.87 -37.95 82.46 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 123.495 0.497 . . . . 36.329999999999998 110.897 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 tp -65.44 -29.72 70.43 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.288 -0.264 . . . . 19.539999999999999 110.288 -177.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 7' ' ' GLU . 89.5 p -65.34 -25.46 67.61 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.506 0.669 . . . . 21.219999999999999 111.1 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.16 -26.31 68.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 117.884 -1.055 . . . . 27.719999999999999 111.629 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -93.15 67.09 4.16 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.036 -1.098 . . . . 21.739999999999998 108.036 -172.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 p30 -111.05 8.05 21.71 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.994 -1.003 . . . . 28.27 110.8 -163.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.42 2.65 68.74 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-O 118.845 -0.975 . . . . 34.329999999999998 113.503 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -100.57 146.24 27.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.148 0.974 . . . . 43.799999999999997 110.437 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 57.24 37.02 28.09 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.742 0.817 . . . . 64.599999999999994 110.495 169.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.19 -3.6 84.29 Favored Glycine 0 C--O 1.213 -1.207 0 CA-C-O 119.599 -0.556 . . . . 39.850000000000001 113.592 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.55 145.59 82.42 Favored Pre-proline 0 N--CA 1.483 1.18 0 CA-C-N 118.166 0.983 . . . . 27.690000000000001 109.078 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -63.33 158.91 42.31 Favored 'Trans proline' 0 C--O 1.24 0.619 0 C-N-CA 120.785 0.99 . . . . 23.75 110.759 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.05 113.06 25.95 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 108.02 -1.104 . . . . 18.460000000000001 108.02 175.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -117.24 146.66 43.13 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 107.291 -1.374 . . . . 19.329999999999998 107.291 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.39 142.22 41.37 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 N-CA-C 106.96 -1.496 . . . . 21.84 106.96 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.04 145.84 28.74 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.783 0.802 . . . . 18.41 109.041 176.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -148.63 117.37 6.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 114.793 -1.094 . . . . 36.520000000000003 108.6 175.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 56.21 39.74 30.19 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.271 0.982 . . . . 39.75 110.532 173.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.71 -7.03 74.19 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 124.255 0.972 . . . . 21.82 114.892 171.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -113.01 143.14 44.81 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 124.414 1.086 . . . . 41.640000000000001 110.413 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.75 126.5 68.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.803 0 N-CA-C 107.174 -1.417 . . . . 17.449999999999999 107.174 -174.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -111.97 136.57 51.13 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 125.754 1.909 . . . . 19.18 108.006 -174.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -89.02 106.83 18.68 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.674 -0.862 . . . . 22.390000000000001 108.674 172.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.4 m -105.34 15.29 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.003 -0.544 . . . . 23.440000000000001 110.475 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 m -60.24 135.31 57.69 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.411 -1.329 . . . . 37.57 107.411 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.08 -29.53 11.62 Favored Glycine 0 C--O 1.213 -1.194 0 C-N-CA 119.879 -1.153 . . . . 41.030000000000001 112.663 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -63.38 115.49 4.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.975 0.888 . . . . 34.710000000000001 109.081 164.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -62.79 -18.58 62.94 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 121.184 -0.206 . . . . 45.619999999999997 110.976 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . 0.439 ' CE1' ' CAA' ' A' ' 101' ' ' HEM . 83.1 m-70 -66.71 -21.0 66.09 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 111.847 0.314 . . . . 41.259999999999998 111.847 173.142 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -121.54 3.14 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.261 -0.876 . . . . 34.100000000000001 113.273 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -65.9 145.19 56.22 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 108.296 -1.001 . . . . 61.399999999999999 108.296 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.95 -8.43 30.03 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.579 -0.608 . . . . 38.299999999999997 111.579 -170.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.93 17.5 79.76 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.041 0.353 . . . . 37.299999999999997 113.603 179.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -113.82 139.71 48.92 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 107.455 -1.313 . . . . 48.649999999999999 107.455 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -122.97 96.95 5.22 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.454 1.096 . . . . 29.960000000000001 108.421 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 51.76 46.22 26.9 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.08 0.952 . . . . 33.57 110.721 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t 80.89 -45.1 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 C-N-CA 125.723 1.609 . . . . 29.18 110.236 166.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.57 -21.6 32.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.357 0.503 . . . . 34.090000000000003 112.357 -165.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -124.18 142.11 51.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.211 1.005 . . . . 31.390000000000001 111.233 -164.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -115.09 135.3 54.35 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.418 -1.265 . . . . 41.43 108.694 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 158.16 24.71 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.477 -1.305 . . . . 26.48 107.477 169.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.31 20.04 53.39 Favored Glycine 0 N--CA 1.435 -1.407 0 O-C-N 123.9 0.75 . . . . 20.489999999999998 112.401 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.12 158.25 44.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 122.645 1.212 . . . . 27.100000000000001 110.531 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -80.18 113.19 18.17 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 114.381 -1.281 . . . . 23.940000000000001 108.664 164.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.8 mt -113.2 28.1 9.06 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 115.771 -0.649 . . . . 26.809999999999999 110.395 -173.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -54.34 -52.65 60.91 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.43 -0.581 . . . . 28.34 109.43 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.97 -36.94 86.01 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 118.817 -0.611 . . . . 63.039999999999999 111.057 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.8 m -61.81 -18.03 58.43 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.888 1.275 . . . . 31.280000000000001 113.097 -172.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 tp -72.26 -25.7 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 118.626 0.648 . . . . 36.299999999999997 109.688 -169.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.43 -34.99 60.3 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 124.861 1.219 . . . . 44.18 112.97 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -92.58 -13.55 29.52 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.254 1.022 . . . . 60.32 111.146 -176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.28 153.94 84.55 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-N 118.469 0.577 . . . . 38.340000000000003 109.957 -179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -82.55 27.58 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.949 2.433 . . . . 42.770000000000003 113.159 172.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -160.79 176.96 10.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.499 -1.297 . . . . 39.5 107.499 -172.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 74.9 p -118.04 179.52 4.07 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.832 -0.803 . . . . 34.719999999999999 108.832 175.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -9.25 58.46 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.771 0.828 . . . . 36.939999999999998 112.019 -171.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -47.6 -35.46 9.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.592 1.157 . . . . 59.380000000000003 111.063 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.07 -21.19 64.09 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.569 0.348 . . . . 34.710000000000001 111.122 -172.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.64 -18.44 62.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.814 -0.554 . . . . 27.309999999999999 112.092 174.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.18 -25.59 65.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.312 0.486 . . . . 41.710000000000001 112.312 -170.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -70.9 -13.48 62.04 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.226 -0.416 . . . . 37.850000000000001 111.23 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.54 146.9 33.95 Favored Pre-proline 0 N--CA 1.47 0.538 0 CA-C-O 121.451 0.643 . . . . 25.329999999999998 111.615 -171.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -62.16 138.82 74.69 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 121.181 1.254 . . . . 21.41 111.994 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.37 121.79 37.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 N-CA-C 106.354 -1.721 . . . . 27.050000000000001 106.354 165.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.84 -9.23 10.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-O 121.297 0.57 . . . . 23.09 109.568 -175.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.9 -163.71 36.79 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.477 -1.344 . . . . 21.23 112.726 174.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.02 154.26 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.016 0 N-CA-C 107.062 -1.458 . . . . 20.82 107.062 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.0 tp -106.05 124.48 49.64 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 124.314 1.009 . . . . 27.440000000000001 108.884 -173.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . 0.422 ' N ' ' O ' ' A' ' 4' ' ' PHE . 14.2 ptp180 . . . . . 0 N--CA 1.477 0.893 0 C-N-CA 129.465 3.106 . . . . 52.509999999999998 110.717 -153.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HEM . . . . . 0.439 ' CAA' ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 108.91 -0.774 . . . . 41.82 108.91 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -111.94 167.29 10.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.065 0.936 . . . . 59.68 110.422 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.33 121.07 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 107.161 -1.422 . . . . 22.949999999999999 107.161 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.01 133.69 51.28 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.06 1.344 . . . . 23.829999999999998 108.172 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -80.25 164.7 23.02 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 106.779 -1.563 . . . . 21.420000000000002 106.779 158.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -67.87 -31.81 71.88 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 122.896 0.479 . . . . 31.030000000000001 109.837 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.55 -46.32 86.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.931 -1.137 . . . . 54.119999999999997 107.931 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.87 -37.95 82.46 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 123.495 0.497 . . . . 36.329999999999998 110.897 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 tp -65.44 -29.72 70.43 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.288 -0.264 . . . . 19.539999999999999 110.288 -177.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.5 p -65.34 -25.46 67.61 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.506 0.669 . . . . 21.219999999999999 111.1 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.16 -26.31 68.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 117.884 -1.055 . . . . 27.719999999999999 111.629 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -93.15 67.09 4.16 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.036 -1.098 . . . . 21.739999999999998 108.036 -172.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . 0.47 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 48.8 p30 -111.05 8.05 21.71 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.994 -1.003 . . . . 28.27 110.8 -163.137 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.42 2.65 68.74 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-O 118.845 -0.975 . . . . 34.329999999999998 113.503 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -100.57 146.24 27.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.148 0.974 . . . . 43.799999999999997 110.437 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 57.24 37.02 28.09 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.742 0.817 . . . . 64.599999999999994 110.495 169.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.19 -3.6 84.29 Favored Glycine 0 C--O 1.213 -1.207 0 CA-C-O 119.599 -0.556 . . . . 39.850000000000001 113.592 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.55 145.59 82.42 Favored Pre-proline 0 N--CA 1.483 1.18 0 CA-C-N 118.166 0.983 . . . . 27.690000000000001 109.078 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -63.33 158.91 42.31 Favored 'Trans proline' 0 C--O 1.24 0.619 0 C-N-CA 120.785 0.99 . . . . 23.75 110.759 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.05 113.06 25.95 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 108.02 -1.104 . . . . 18.460000000000001 108.02 175.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -117.24 146.66 43.13 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 107.291 -1.374 . . . . 19.329999999999998 107.291 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.39 142.22 41.37 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 N-CA-C 106.96 -1.496 . . . . 21.84 106.96 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.04 145.84 28.74 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.783 0.802 . . . . 18.41 109.041 176.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -148.63 117.37 6.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 114.793 -1.094 . . . . 36.520000000000003 108.6 175.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 56.21 39.74 30.19 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.271 0.982 . . . . 39.75 110.532 173.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.71 -7.03 74.19 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 124.255 0.972 . . . . 21.82 114.892 171.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -113.01 143.14 44.81 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 124.414 1.086 . . . . 41.640000000000001 110.413 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.75 126.5 68.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.803 0 N-CA-C 107.174 -1.417 . . . . 17.449999999999999 107.174 -174.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -111.97 136.57 51.13 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 125.754 1.909 . . . . 19.18 108.006 -174.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -89.02 106.83 18.68 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.674 -0.862 . . . . 22.390000000000001 108.674 172.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.4 m -105.34 15.29 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.003 -0.544 . . . . 23.440000000000001 110.475 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 m -60.24 135.31 57.69 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.411 -1.329 . . . . 37.57 107.411 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.08 -29.53 11.62 Favored Glycine 0 C--O 1.213 -1.194 0 C-N-CA 119.879 -1.153 . . . . 41.030000000000001 112.663 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -63.38 115.49 4.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.975 0.888 . . . . 34.710000000000001 109.081 164.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -62.79 -18.58 62.94 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 121.184 -0.206 . . . . 45.619999999999997 110.976 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' CE1' HAA1 ' A' ' 101' ' ' HEM . 83.1 m-70 -66.71 -21.0 66.09 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 111.847 0.314 . . . . 41.259999999999998 111.847 173.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -121.54 3.14 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.261 -0.876 . . . . 34.100000000000001 113.273 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -65.9 145.19 56.22 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 108.296 -1.001 . . . . 61.399999999999999 108.296 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.95 -8.43 30.03 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.579 -0.608 . . . . 38.299999999999997 111.579 -170.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 13' ' ' ASN . . . 76.93 17.5 79.76 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.041 0.353 . . . . 37.299999999999997 113.603 179.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -113.82 139.71 48.92 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 107.455 -1.313 . . . . 48.649999999999999 107.455 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 74.3 t60 -122.97 96.95 5.22 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.454 1.096 . . . . 29.960000000000001 108.421 179.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 51.76 46.22 26.9 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.08 0.952 . . . . 33.57 110.721 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t 80.89 -45.1 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 C-N-CA 125.723 1.609 . . . . 29.18 110.236 166.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.57 -21.6 32.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.357 0.503 . . . . 34.090000000000003 112.357 -165.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 42' ' ' HIS . 50.5 m-70 -124.18 142.11 51.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.211 1.005 . . . . 31.390000000000001 111.233 -164.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -115.09 135.3 54.35 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.418 -1.265 . . . . 41.43 108.694 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 158.16 24.71 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.477 -1.305 . . . . 26.48 107.477 169.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.31 20.04 53.39 Favored Glycine 0 N--CA 1.435 -1.407 0 O-C-N 123.9 0.75 . . . . 20.489999999999998 112.401 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.12 158.25 44.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 122.645 1.212 . . . . 27.100000000000001 110.531 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -80.18 113.19 18.17 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 114.381 -1.281 . . . . 23.940000000000001 108.664 164.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.8 mt -113.2 28.1 9.06 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 115.771 -0.649 . . . . 26.809999999999999 110.395 -173.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -54.34 -52.65 60.91 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.43 -0.581 . . . . 28.34 109.43 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.97 -36.94 86.01 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 118.817 -0.611 . . . . 63.039999999999999 111.057 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.8 m -61.81 -18.03 58.43 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.888 1.275 . . . . 31.280000000000001 113.097 -172.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 tp -72.26 -25.7 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 118.626 0.648 . . . . 36.299999999999997 109.688 -169.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.43 -34.99 60.3 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 124.861 1.219 . . . . 44.18 112.97 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -92.58 -13.55 29.52 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.254 1.022 . . . . 60.32 111.146 -176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . 0.547 ' HA ' HBB2 ' A' ' 101' ' ' HEM . . . -64.28 153.94 84.55 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-N 118.469 0.577 . . . . 38.340000000000003 109.957 -179.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -82.55 27.58 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.949 2.433 . . . . 42.770000000000003 113.159 172.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -160.79 176.96 10.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.499 -1.297 . . . . 39.5 107.499 -172.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' HG2' ' A' ' 64' ' ' GLU . 74.9 p -118.04 179.52 4.07 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.832 -0.803 . . . . 34.719999999999999 108.832 175.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -9.25 58.46 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.771 0.828 . . . . 36.939999999999998 112.019 -171.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HG2' ' OG1' ' A' ' 62' ' ' THR . 3.8 pt-20 -47.6 -35.46 9.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.592 1.157 . . . . 59.380000000000003 111.063 176.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.07 -21.19 64.09 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.569 0.348 . . . . 34.710000000000001 111.122 -172.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.64 -18.44 62.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.814 -0.554 . . . . 27.309999999999999 112.092 174.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.18 -25.59 65.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.312 0.486 . . . . 41.710000000000001 112.312 -170.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -70.9 -13.48 62.04 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.226 -0.416 . . . . 37.850000000000001 111.23 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.54 146.9 33.95 Favored Pre-proline 0 N--CA 1.47 0.538 0 CA-C-O 121.451 0.643 . . . . 25.329999999999998 111.615 -171.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -62.16 138.82 74.69 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 121.181 1.254 . . . . 21.41 111.994 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.37 121.79 37.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 N-CA-C 106.354 -1.721 . . . . 27.050000000000001 106.354 165.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.84 -9.23 10.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-O 121.297 0.57 . . . . 23.09 109.568 -175.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.9 -163.71 36.79 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.477 -1.344 . . . . 21.23 112.726 174.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.02 154.26 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.016 0 N-CA-C 107.062 -1.458 . . . . 20.82 107.062 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.0 tp -106.05 124.48 49.64 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 124.314 1.009 . . . . 27.440000000000001 108.884 -173.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 . . . . . 0 N--CA 1.477 0.893 0 C-N-CA 129.465 3.106 . . . . 52.509999999999998 110.717 -153.422 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HEM . . . . . 0.583 HAA1 ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 tpp . . . . . 0 N--CA 1.476 0.85 0 N-CA-C 108.91 -0.774 . . . . 41.82 108.91 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -111.94 167.29 10.5 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.065 0.936 . . . . 59.68 110.422 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.3 t -112.33 121.07 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 N-CA-C 107.161 -1.422 . . . . 22.95 107.161 174.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -107.01 133.69 51.28 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.06 1.344 . . . . 23.83 108.172 -177.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -80.25 164.7 23.02 Favored 'General case' 0 N--CA 1.431 -1.381 0 N-CA-C 106.779 -1.563 . . . . 21.42 106.779 158.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -67.87 -31.81 71.88 Favored 'General case' 0 N--CA 1.443 -0.779 0 C-N-CA 122.896 0.479 . . . . 31.03 109.837 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -63.55 -46.32 86.49 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.931 -1.137 . . . . 54.12 107.931 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.87 -37.95 82.46 Favored 'General case' 0 C--N 1.342 0.28 0 O-C-N 123.495 0.497 . . . . 36.33 110.897 -179.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.0 tp -65.44 -29.72 70.43 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 110.288 -0.264 . . . . 19.54 110.288 -177.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 89.5 p -65.34 -25.46 67.61 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 121.506 0.669 . . . . 21.22 111.1 -177.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -65.16 -26.31 68.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-O 117.884 -1.055 . . . . 27.72 111.629 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -93.15 67.09 4.16 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.036 -1.098 . . . . 21.74 108.036 -172.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.47 ' O ' ' HA3' ' A' ' 40' ' ' GLY . 48.8 p30 -111.05 8.05 21.71 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 114.994 -1.003 . . . . 28.27 110.8 -163.137 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.42 2.65 68.74 Favored Glycine 0 N--CA 1.44 -1.041 0 CA-C-O 118.845 -0.975 . . . . 34.33 113.503 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -100.57 146.24 27.35 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 118.148 0.974 . . . . 43.8 110.437 -175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 57.24 37.02 28.09 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.742 0.817 . . . . 64.6 110.495 169.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.19 -3.6 84.29 Favored Glycine 0 C--O 1.213 -1.207 0 CA-C-O 119.599 -0.556 . . . . 39.85 113.592 174.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.55 145.59 82.42 Favored Pre-proline 0 N--CA 1.483 1.18 0 CA-C-N 118.166 0.983 . . . . 27.69 109.078 179.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -63.33 158.91 42.31 Favored 'Trans proline' 0 C--O 1.24 0.619 0 C-N-CA 120.785 0.99 . . . . 23.75 110.759 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -108.05 113.06 25.95 Favored 'General case' 0 C--O 1.252 1.198 0 N-CA-C 108.02 -1.104 . . . . 18.46 108.02 175.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -117.24 146.66 43.13 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 107.291 -1.374 . . . . 19.33 107.291 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 m -134.39 142.22 41.37 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.958 0 N-CA-C 106.96 -1.496 . . . . 21.84 106.96 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -102.04 145.84 28.74 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-O 121.783 0.802 . . . . 18.41 109.041 176.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -148.63 117.37 6.65 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-N 114.793 -1.094 . . . . 36.52 108.6 175.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 56.21 39.74 30.19 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.271 0.982 . . . . 39.75 110.532 173.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.71 -7.03 74.19 Favored Glycine 0 C--N 1.346 1.1 0 O-C-N 124.255 0.972 . . . . 21.82 114.892 171.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -113.01 143.14 44.81 Favored 'General case' 0 C--O 1.205 -1.256 0 C-N-CA 124.414 1.086 . . . . 41.64 110.413 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 96.0 t -110.75 126.5 68.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.803 0 N-CA-C 107.174 -1.417 . . . . 17.45 107.174 -174.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -111.97 136.57 51.13 Favored 'General case' 0 C--O 1.208 -1.111 0 O-C-N 125.754 1.909 . . . . 19.18 108.006 -174.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -89.02 106.83 18.68 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 108.674 -0.862 . . . . 22.39 108.674 172.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.4 m -105.34 15.29 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 CA-C-N 116.003 -0.544 . . . . 23.44 110.475 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 m -60.24 135.31 57.69 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 107.411 -1.329 . . . . 37.57 107.411 170.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.08 -29.53 11.62 Favored Glycine 0 C--O 1.213 -1.194 0 C-N-CA 119.879 -1.153 . . . . 41.03 112.663 179.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -63.38 115.49 4.65 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 117.975 0.888 . . . . 34.71 109.081 164.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -62.79 -18.58 62.94 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 121.184 -0.206 . . . . 45.62 110.976 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.583 ' CE1' HAA1 ' A' ' 101' ' ' HEM . 83.1 m-70 -66.71 -21.0 66.09 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 111.847 0.314 . . . . 41.26 111.847 173.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -121.54 3.14 10.2 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 118.261 -0.876 . . . . 34.1 113.273 -174.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -65.9 145.19 56.22 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 108.296 -1.001 . . . . 61.4 108.296 -179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.95 -8.43 30.03 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.579 -0.608 . . . . 38.3 111.579 -170.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 13' ' ' ASN . . . 76.93 17.5 79.76 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.041 0.353 . . . . 37.3 113.603 179.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -113.82 139.71 48.92 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 107.455 -1.313 . . . . 48.65 107.455 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.563 ' HB3' ' HB2' ' A' ' 46' ' ' HIS . 74.3 t60 -122.97 96.95 5.22 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.454 1.096 . . . . 29.96 108.421 179.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 51.76 46.22 26.9 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.08 0.952 . . . . 33.57 110.721 172.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.4 t 80.89 -45.1 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.215 -0.762 0 C-N-CA 125.723 1.609 . . . . 29.18 110.236 166.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.1 mt -83.57 -21.6 32.6 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 112.357 0.503 . . . . 34.09 112.357 -165.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.563 ' HB2' ' HB3' ' A' ' 42' ' ' HIS . 50.5 m-70 -124.18 142.11 51.5 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-O 122.211 1.005 . . . . 31.39 111.233 -164.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -115.09 135.3 54.35 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.418 -1.265 . . . . 41.43 108.694 179.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.48 158.16 24.71 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 107.477 -1.305 . . . . 26.48 107.477 169.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.31 20.04 53.39 Favored Glycine 0 N--CA 1.435 -1.407 0 O-C-N 123.9 0.75 . . . . 20.49 112.401 174.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -135.12 158.25 44.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 122.645 1.212 . . . . 27.1 110.531 -176.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -80.18 113.19 18.17 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-N 114.381 -1.281 . . . . 23.94 108.664 164.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 75.8 mt -113.2 28.1 9.06 Favored 'General case' 0 C--O 1.258 1.531 0 CA-C-N 115.771 -0.649 . . . . 26.81 110.395 -173.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -54.34 -52.65 60.91 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.43 -0.581 . . . . 28.34 109.43 -178.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.97 -36.94 86.01 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-O 118.817 -0.611 . . . . 63.04 111.057 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 57.8 m -61.81 -18.03 58.43 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.888 1.275 . . . . 31.28 113.097 -172.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.4 tp -72.26 -25.7 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 118.626 0.648 . . . . 36.3 109.688 -169.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.43 -34.99 60.3 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 124.861 1.219 . . . . 44.18 112.97 -176.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.5 mtt-85 -92.58 -13.55 29.52 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.254 1.022 . . . . 60.32 111.146 -176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.547 ' HA ' HBB2 ' A' ' 101' ' ' HEM . . . -64.28 153.94 84.55 Favored Pre-proline 0 N--CA 1.476 0.853 0 CA-C-N 118.469 0.577 . . . . 38.34 109.957 -179.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -82.55 27.58 0.6 Allowed 'Trans proline' 0 C--N 1.358 1.032 0 C-N-CA 122.949 2.433 . . . . 42.77 113.159 172.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -160.79 176.96 10.91 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.499 -1.297 . . . . 39.5 107.499 -172.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . 0.46 ' OG1' ' HG2' ' A' ' 64' ' ' GLU . 74.9 p -118.04 179.52 4.07 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 108.832 -0.803 . . . . 34.72 108.832 175.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.82 -9.25 58.46 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.771 0.828 . . . . 36.94 112.019 -171.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.46 ' HG2' ' OG1' ' A' ' 62' ' ' THR . 3.8 pt-20 -47.6 -35.46 9.27 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.592 1.157 . . . . 59.38 111.063 176.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.3 mt -69.07 -21.19 64.09 Favored 'General case' 0 C--O 1.213 -0.861 0 C-N-CA 122.569 0.348 . . . . 34.71 111.122 -172.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 33.0 mt -62.64 -18.44 62.28 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.814 -0.554 . . . . 27.31 112.092 174.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.18 -25.59 65.32 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.312 0.486 . . . . 41.71 112.312 -170.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -70.9 -13.48 62.04 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 119.226 -0.416 . . . . 37.85 111.23 179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -106.54 146.9 33.95 Favored Pre-proline 0 N--CA 1.47 0.538 0 CA-C-O 121.451 0.643 . . . . 25.33 111.615 -171.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -62.16 138.82 74.69 Favored 'Trans proline' 0 CA--C 1.54 0.787 0 C-N-CA 121.181 1.254 . . . . 21.41 111.994 177.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.3 t -85.37 121.79 37.54 Favored 'Isoleucine or valine' 0 C--O 1.241 0.644 0 N-CA-C 106.354 -1.721 . . . . 27.05 106.354 165.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.2 m -105.84 -9.23 10.19 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.067 0 CA-C-O 121.297 0.57 . . . . 23.09 109.568 -175.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 170.9 -163.71 36.79 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.477 -1.344 . . . . 21.23 112.726 174.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.3 m -123.02 154.26 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.016 0 N-CA-C 107.062 -1.458 . . . . 20.82 107.062 179.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.0 tp -106.05 124.48 49.64 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 124.314 1.009 . . . . 27.44 108.884 -173.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 . . . . . 0 N--CA 1.477 0.893 0 C-N-CA 129.465 3.106 . . . . 52.51 110.717 -153.422 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HEM . . . . . 0.583 HAA1 ' CE1' ' A' ' 36' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_