data_1zx6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1zx6 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 119.265 -0.398 . . . . 40.200000000000003 111.684 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -125.7 145.26 50.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.853 1.346 . . . . 28.5 110.204 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.58 162.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.072 -1.085 . . . . 23.600000000000001 108.072 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -122.18 131.27 53.86 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.013 -0.736 . . . . 30.73 109.013 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 132.85 44.72 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 121.321 0.581 . . . . 24.510000000000002 111.858 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -104.52 -21.36 13.45 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.052 -0.976 . . . . 31.129999999999999 111.17 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -138.73 153.87 48.51 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.247 0.967 . . . . 25.539999999999999 108.754 -174.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -78.72 116.25 18.96 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.54 -0.755 . . . . 26.620000000000001 109.3 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -101.07 110.7 22.76 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.223 -1.029 . . . . 24.359999999999999 108.223 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -86.49 116.7 66.86 Favored Pre-proline 0 C--O 1.211 -0.942 0 O-C-N 122.227 -0.295 . . . . 30.5 110.567 176.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -69.68 143.46 51.29 Favored 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 120.222 0.615 . . . . 30.760000000000002 113.351 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -128.27 -16.62 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.381 0.882 . . . . 37.960000000000001 113.381 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -128.01 141.73 51.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.57 -0.9 . . . . 26.059999999999999 108.57 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.88 133.54 26.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.8 -0.444 . . . . 33.859999999999999 109.8 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.41 -9.15 64.74 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 115.56 -0.745 . . . . 24.030000000000001 113.946 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -78.66 142.53 37.09 Favored 'General case' 0 C--O 1.247 0.954 0 N-CA-C 108.391 -0.966 . . . . 27.210000000000001 108.391 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.57 104.78 15.2 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.099 -1.075 . . . . 25.579999999999998 108.099 174.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.71 149.41 48.98 Favored Glycine 0 C--O 1.251 1.211 0 N-CA-C 110.496 -1.042 . . . . 23.289999999999999 110.496 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.49 139.89 42.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.084 0.554 . . . . 31.870000000000001 110.828 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -118.2 148.08 42.94 Favored Pre-proline 0 N--CA 1.478 0.959 0 N-CA-C 104.481 -2.414 . . . . 34.299999999999997 104.481 171.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.14 133.39 57.72 Favored 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 117.432 -1.246 . . . . 23.98 113.396 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.96 -18.33 49.98 Favored Glycine 0 N--CA 1.448 -0.537 0 O-C-N 123.953 0.783 . . . . 27.260000000000002 112.616 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.77 129.61 40.43 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.063 -1.088 . . . . 26.649999999999999 108.063 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -98.9 130.95 45.32 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.199 -0.667 . . . . 26.390000000000001 109.199 173.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.81 130.99 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.592 -1.262 . . . . 24.620000000000001 107.592 -166.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.39 120.47 20.88 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.128 -1.434 . . . . 32.840000000000003 107.128 173.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.4 tp -84.26 114.85 22.12 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 109.188 -0.671 . . . . 31.309999999999999 109.188 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.8 mt -91.5 -42.2 10.39 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 112.433 0.531 . . . . 27.82 112.433 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -154.72 138.72 16.38 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-O 121.242 0.544 . . . . 29.899999999999999 110.808 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -90.61 100.76 13.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 107.036 -1.468 . . . . 30.640000000000001 107.036 170.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.68 -39.52 84.47 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.449 0.537 . . . . 27.579999999999998 112.449 -174.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 51.5 p -161.37 178.31 1.67 Allowed Pre-proline 0 C--O 1.251 1.148 0 N-CA-C 106.578 -1.638 . . . . 22.100000000000001 106.578 176.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -58.29 -21.86 54.7 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 O-C-N 122.214 0.586 . . . . 24.850000000000001 111.616 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -106.77 -21.54 13.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 117.333 2.345 . . . . 31.48 117.333 -169.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -131.22 130.63 43.17 Favored 'General case' 0 C--O 1.262 1.723 0 C-N-CA 124.561 1.144 . . . . 25.870000000000001 110.987 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -111.88 155.37 23.75 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 125.19 1.557 . . . . 29.0 111.496 171.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -108.41 132.56 53.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.482 1.513 . . . . 38.579999999999998 108.422 170.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.43 179.91 33.76 Favored Glycine 0 N--CA 1.464 0.562 0 C-N-CA 119.059 -1.543 . . . . 22.109999999999999 112.254 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -131.37 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.817 0.951 . . . . 30.59 109.951 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t -151.91 124.91 8.59 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.651 -0.87 . . . . 28.550000000000001 108.651 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 51.63 42.11 29.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.568 0.542 . . . . 29.539999999999999 111.394 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.38 76.7 Favored Glycine 0 C--O 1.221 -0.699 0 N-CA-C 116.579 1.392 . . . . 24.75 116.579 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 117' ' ' HOH . 36.7 mtm105 -100.48 144.03 29.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.05 0.925 . . . . 36.659999999999997 110.684 178.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.8 m -125.25 133.15 52.8 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.542 -0.91 . . . . 24.800000000000001 108.542 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.89 -163.86 30.25 Favored Glycine 0 C--O 1.245 0.818 0 N-CA-C 111.681 -0.567 . . . . 23.469999999999999 111.681 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 pt -114.09 154.12 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-O 121.519 0.676 . . . . 25.940000000000001 111.092 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -156.17 152.71 23.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 114.319 -1.309 . . . . 25.460000000000001 108.551 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -69.9 138.39 37.28 Favored 'Trans proline' 0 C--O 1.209 -0.941 0 C-N-CA 117.885 -0.943 . . . . 24.559999999999999 113.772 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.49 -28.78 69.54 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 114.574 1.324 . . . . 23.82 114.574 -175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -79.25 1.17 25.76 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.618 1.34 . . . . 26.100000000000001 114.618 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -79.66 -12.45 59.82 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.874 1.064 . . . . 26.530000000000001 113.874 170.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.0 m -128.41 162.77 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 115.463 1.653 . . . . 24.870000000000001 115.463 -171.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -128.32 164.96 34.25 Favored Pre-proline 0 C--O 1.248 1.005 0 C-N-CA 124.489 1.116 . . . . 34.659999999999997 109.328 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.25 147.66 92.79 Favored 'Trans proline' 0 C--O 1.243 0.755 0 O-C-N 122.931 0.963 . . . . 24.899999999999999 112.013 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.84 -59.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 22.710000000000001 109.983 172.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 C--O 1.242 0.698 0 N-CA-C 113.372 0.878 . . . . 22.32 113.372 176.079 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . 0.427 ' O ' ' NH2' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 119.265 -0.398 . . . . 40.200000000000003 111.684 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -125.7 145.26 50.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.853 1.346 . . . . 28.5 110.204 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.58 162.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.072 -1.085 . . . . 23.600000000000001 108.072 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -122.18 131.27 53.86 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.013 -0.736 . . . . 30.73 109.013 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 132.85 44.72 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 121.321 0.581 . . . . 24.510000000000002 111.858 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -104.52 -21.36 13.45 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.052 -0.976 . . . . 31.129999999999999 111.17 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -138.73 153.87 48.51 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.247 0.967 . . . . 25.539999999999999 108.754 -174.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -78.72 116.25 18.96 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.54 -0.755 . . . . 26.620000000000001 109.3 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -101.07 110.7 22.76 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.223 -1.029 . . . . 24.359999999999999 108.223 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -86.49 116.7 66.86 Favored Pre-proline 0 C--O 1.211 -0.942 0 O-C-N 122.227 -0.295 . . . . 30.5 110.567 176.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -69.68 143.46 51.29 Favored 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 120.222 0.615 . . . . 30.760000000000002 113.351 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -128.27 -16.62 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.381 0.882 . . . . 37.960000000000001 113.381 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -128.01 141.73 51.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.57 -0.9 . . . . 26.059999999999999 108.57 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.88 133.54 26.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.8 -0.444 . . . . 33.859999999999999 109.8 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.41 -9.15 64.74 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 115.56 -0.745 . . . . 24.030000000000001 113.946 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -78.66 142.53 37.09 Favored 'General case' 0 C--O 1.247 0.954 0 N-CA-C 108.391 -0.966 . . . . 27.210000000000001 108.391 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.57 104.78 15.2 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.099 -1.075 . . . . 25.579999999999998 108.099 174.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.71 149.41 48.98 Favored Glycine 0 C--O 1.251 1.211 0 N-CA-C 110.496 -1.042 . . . . 23.289999999999999 110.496 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.49 139.89 42.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.084 0.554 . . . . 31.870000000000001 110.828 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -118.2 148.08 42.94 Favored Pre-proline 0 N--CA 1.478 0.959 0 N-CA-C 104.481 -2.414 . . . . 34.299999999999997 104.481 171.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.14 133.39 57.72 Favored 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 117.432 -1.246 . . . . 23.98 113.396 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.96 -18.33 49.98 Favored Glycine 0 N--CA 1.448 -0.537 0 O-C-N 123.953 0.783 . . . . 27.260000000000002 112.616 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.77 129.61 40.43 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.063 -1.088 . . . . 26.649999999999999 108.063 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -98.9 130.95 45.32 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.199 -0.667 . . . . 26.390000000000001 109.199 173.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.81 130.99 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.592 -1.262 . . . . 24.620000000000001 107.592 -166.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.39 120.47 20.88 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.128 -1.434 . . . . 32.840000000000003 107.128 173.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.4 tp -84.26 114.85 22.12 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 109.188 -0.671 . . . . 31.309999999999999 109.188 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.8 mt -91.5 -42.2 10.39 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 112.433 0.531 . . . . 27.82 112.433 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -154.72 138.72 16.38 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-O 121.242 0.544 . . . . 29.899999999999999 110.808 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -90.61 100.76 13.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 107.036 -1.468 . . . . 30.640000000000001 107.036 170.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.68 -39.52 84.47 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.449 0.537 . . . . 27.579999999999998 112.449 -174.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 51.5 p -161.37 178.31 1.67 Allowed Pre-proline 0 C--O 1.251 1.148 0 N-CA-C 106.578 -1.638 . . . . 22.100000000000001 106.578 176.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 34' ' ' SER . 40.2 Cg_exo -58.29 -21.86 54.7 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 O-C-N 122.214 0.586 . . . . 24.850000000000001 111.616 175.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -106.77 -21.54 13.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 117.333 2.345 . . . . 31.48 117.333 -169.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -131.22 130.63 43.17 Favored 'General case' 0 C--O 1.262 1.723 0 C-N-CA 124.561 1.144 . . . . 25.870000000000001 110.987 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -111.88 155.37 23.75 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 125.19 1.557 . . . . 29.0 111.496 171.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -108.41 132.56 53.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.482 1.513 . . . . 38.579999999999998 108.422 170.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.43 179.91 33.76 Favored Glycine 0 N--CA 1.464 0.562 0 C-N-CA 119.059 -1.543 . . . . 22.109999999999999 112.254 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -131.37 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.817 0.951 . . . . 30.59 109.951 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t -151.91 124.91 8.59 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.651 -0.87 . . . . 28.550000000000001 108.651 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 51.63 42.11 29.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.568 0.542 . . . . 29.539999999999999 111.394 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.38 76.7 Favored Glycine 0 C--O 1.221 -0.699 0 N-CA-C 116.579 1.392 . . . . 24.75 116.579 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 117' ' ' HOH . 36.7 mtm105 -100.48 144.03 29.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.05 0.925 . . . . 36.659999999999997 110.684 178.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.8 m -125.25 133.15 52.8 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.542 -0.91 . . . . 24.800000000000001 108.542 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.89 -163.86 30.25 Favored Glycine 0 C--O 1.245 0.818 0 N-CA-C 111.681 -0.567 . . . . 23.469999999999999 111.681 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 pt -114.09 154.12 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-O 121.519 0.676 . . . . 25.940000000000001 111.092 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -156.17 152.71 23.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 114.319 -1.309 . . . . 25.460000000000001 108.551 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -69.9 138.39 37.28 Favored 'Trans proline' 0 C--O 1.209 -0.941 0 C-N-CA 117.885 -0.943 . . . . 24.559999999999999 113.772 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.49 -28.78 69.54 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 114.574 1.324 . . . . 23.82 114.574 -175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -79.25 1.17 25.76 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.618 1.34 . . . . 26.100000000000001 114.618 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -79.66 -12.45 59.82 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.874 1.064 . . . . 26.530000000000001 113.874 170.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.0 m -128.41 162.77 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 115.463 1.653 . . . . 24.870000000000001 115.463 -171.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -128.32 164.96 34.25 Favored Pre-proline 0 C--O 1.248 1.005 0 C-N-CA 124.489 1.116 . . . . 34.659999999999997 109.328 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.25 147.66 92.79 Favored 'Trans proline' 0 C--O 1.243 0.755 0 O-C-N 122.931 0.963 . . . . 24.899999999999999 112.013 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.84 -59.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 22.710000000000001 109.983 172.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 C--O 1.242 0.698 0 N-CA-C 113.372 0.878 . . . . 22.32 113.372 176.079 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . 0.427 ' O ' ' NH2' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 119.265 -0.398 . . . . 40.200000000000003 111.684 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -125.7 145.26 50.25 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.853 1.346 . . . . 28.5 110.204 176.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.58 162.34 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.072 -1.085 . . . . 23.600000000000001 108.072 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -122.18 131.27 53.86 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 109.013 -0.736 . . . . 30.73 109.013 179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 132.85 44.72 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-O 121.321 0.581 . . . . 24.510000000000002 111.858 176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -104.52 -21.36 13.45 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-N 115.052 -0.976 . . . . 31.129999999999999 111.17 -178.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -138.73 153.87 48.51 Favored 'General case' 0 C--O 1.244 0.766 0 O-C-N 124.247 0.967 . . . . 25.539999999999999 108.754 -174.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -78.72 116.25 18.96 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 115.54 -0.755 . . . . 26.620000000000001 109.3 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -101.07 110.7 22.76 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.223 -1.029 . . . . 24.359999999999999 108.223 171.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -86.49 116.7 66.86 Favored Pre-proline 0 C--O 1.211 -0.942 0 O-C-N 122.227 -0.295 . . . . 30.5 110.567 176.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -69.68 143.46 51.29 Favored 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 120.222 0.615 . . . . 30.760000000000002 113.351 -178.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.3 mm-40 -128.27 -16.62 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.381 0.882 . . . . 37.960000000000001 113.381 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -128.01 141.73 51.43 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.57 -0.9 . . . . 26.059999999999999 108.57 -177.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -50.88 133.54 26.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 109.8 -0.444 . . . . 33.859999999999999 109.8 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.41 -9.15 64.74 Favored Glycine 0 CA--C 1.528 0.903 0 CA-C-N 115.56 -0.745 . . . . 24.030000000000001 113.946 -178.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -78.66 142.53 37.09 Favored 'General case' 0 C--O 1.247 0.954 0 N-CA-C 108.391 -0.966 . . . . 27.210000000000001 108.391 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.57 104.78 15.2 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 108.099 -1.075 . . . . 25.579999999999998 108.099 174.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.71 149.41 48.98 Favored Glycine 0 C--O 1.251 1.211 0 N-CA-C 110.496 -1.042 . . . . 23.289999999999999 110.496 176.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 66.6 mt -136.49 139.89 42.63 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.084 0.554 . . . . 31.870000000000001 110.828 -175.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -118.2 148.08 42.94 Favored Pre-proline 0 N--CA 1.478 0.959 0 N-CA-C 104.481 -2.414 . . . . 34.299999999999997 104.481 171.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.14 133.39 57.72 Favored 'Trans proline' 0 C--N 1.322 -0.836 0 C-N-CA 117.432 -1.246 . . . . 23.98 113.396 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 102.96 -18.33 49.98 Favored Glycine 0 N--CA 1.448 -0.537 0 O-C-N 123.953 0.783 . . . . 27.260000000000002 112.616 -178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -64.77 129.61 40.43 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.063 -1.088 . . . . 26.649999999999999 108.063 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -98.9 130.95 45.32 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.199 -0.667 . . . . 26.390000000000001 109.199 173.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 47.1 t -122.81 130.99 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 N-CA-C 107.592 -1.262 . . . . 24.620000000000001 107.592 -166.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.39 120.47 20.88 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 107.128 -1.434 . . . . 32.840000000000003 107.128 173.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.4 tp -84.26 114.85 22.12 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 109.188 -0.671 . . . . 31.309999999999999 109.188 -178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.8 mt -91.5 -42.2 10.39 Favored 'General case' 0 C--O 1.255 1.388 0 N-CA-C 112.433 0.531 . . . . 27.82 112.433 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -154.72 138.72 16.38 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-O 121.242 0.544 . . . . 29.899999999999999 110.808 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -90.61 100.76 13.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 N-CA-C 107.036 -1.468 . . . . 30.640000000000001 107.036 170.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.68 -39.52 84.47 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.449 0.537 . . . . 27.579999999999998 112.449 -174.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . 0.404 ' HB2' ' HD2' ' A' ' 35' ' ' PRO . 51.5 p -161.37 178.31 1.67 Allowed Pre-proline 0 C--O 1.251 1.148 0 N-CA-C 106.578 -1.638 . . . . 22.100000000000001 106.578 176.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 34' ' ' SER . 40.2 Cg_exo -58.29 -21.86 54.7 Favored 'Trans proline' 0 N--CA 1.445 -1.355 0 O-C-N 122.214 0.586 . . . . 24.850000000000001 111.616 175.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -106.77 -21.54 13.0 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 117.333 2.345 . . . . 31.48 117.333 -169.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -131.22 130.63 43.17 Favored 'General case' 0 C--O 1.262 1.723 0 C-N-CA 124.561 1.144 . . . . 25.870000000000001 110.987 178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -111.88 155.37 23.75 Favored 'General case' 0 C--O 1.25 1.117 0 O-C-N 125.19 1.557 . . . . 29.0 111.496 171.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -108.41 132.56 53.64 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.482 1.513 . . . . 38.579999999999998 108.422 170.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -158.43 179.91 33.76 Favored Glycine 0 N--CA 1.464 0.562 0 C-N-CA 119.059 -1.543 . . . . 22.109999999999999 112.254 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.2 p -131.37 144.09 50.97 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 124.817 0.951 . . . . 30.59 109.951 178.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 50.1 t -151.91 124.91 8.59 Favored 'General case' 0 C--O 1.217 -0.632 0 N-CA-C 108.651 -0.87 . . . . 28.550000000000001 108.651 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 51.63 42.11 29.38 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 123.568 0.542 . . . . 29.539999999999999 111.394 175.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.03 -8.38 76.7 Favored Glycine 0 C--O 1.221 -0.699 0 N-CA-C 116.579 1.392 . . . . 24.75 116.579 175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 117' ' ' HOH . 36.7 mtm105 -100.48 144.03 29.95 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.05 0.925 . . . . 36.659999999999997 110.684 178.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.8 m -125.25 133.15 52.8 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 108.542 -0.91 . . . . 24.800000000000001 108.542 179.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.89 -163.86 30.25 Favored Glycine 0 C--O 1.245 0.818 0 N-CA-C 111.681 -0.567 . . . . 23.469999999999999 111.681 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 36.9 pt -114.09 154.12 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.037 0 CA-C-O 121.519 0.676 . . . . 25.940000000000001 111.092 -176.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -156.17 152.71 23.96 Favored Pre-proline 0 N--CA 1.447 -0.609 0 CA-C-N 114.319 -1.309 . . . . 25.460000000000001 108.551 -175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -69.9 138.39 37.28 Favored 'Trans proline' 0 C--O 1.209 -0.941 0 C-N-CA 117.885 -0.943 . . . . 24.559999999999999 113.772 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.49 -28.78 69.54 Favored 'General case' 0 N--CA 1.438 -1.036 0 N-CA-C 114.574 1.324 . . . . 23.82 114.574 -175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.3 p-10 -79.25 1.17 25.76 Favored 'General case' 0 CA--C 1.554 1.108 0 N-CA-C 114.618 1.34 . . . . 26.100000000000001 114.618 -177.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -79.66 -12.45 59.82 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 113.874 1.064 . . . . 26.530000000000001 113.874 170.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.0 m -128.41 162.77 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 115.463 1.653 . . . . 24.870000000000001 115.463 -171.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -128.32 164.96 34.25 Favored Pre-proline 0 C--O 1.248 1.005 0 C-N-CA 124.489 1.116 . . . . 34.659999999999997 109.328 172.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -60.25 147.66 92.79 Favored 'Trans proline' 0 C--O 1.243 0.755 0 O-C-N 122.931 0.963 . . . . 24.899999999999999 112.013 177.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.84 -59.89 1.4 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.794 -0.639 . . . . 22.710000000000001 109.983 172.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 42.4 p90 . . . . . 0 C--O 1.242 0.698 0 N-CA-C 113.372 0.878 . . . . 22.32 113.372 176.079 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . 0.427 ' O ' ' NH2' ' A' ' 45' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_