data_6ahx_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 6ahx _Structure_validation_residue.Date_analyzed 2019-10-18 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 ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttp . . . . . 0 N--CA 1.526 3.36 0 CA-C-O 118.185 -0.912 . . . . 56.89 113.204 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -99.55 140.63 33.46 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.926 1.239 . . . . 38.13 109.434 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.1 mtm105 -59.76 140.69 56.33 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 118.82 -1.152 . . . . 77.32 111.539 176.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -39.34 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.384 1.253 . . . . 101.54 114.384 174.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.61 -37.35 70.57 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.676 1.361 . . . . 117.1 114.676 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.51 -49.57 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 124.24 0.963 . . . . 45.03 112.045 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.83 -43.79 97.86 Favored 'Isoleucine or valine' 0 C--O 1.264 1.845 0 CA-C-O 121.572 0.701 . . . . 36.02 110.312 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -64.37 -42.9 95.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.669 -1.15 . . . . 56.2 113.535 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -45.53 82.07 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 124.603 1.189 . . . . 57.32 110.029 174.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.84 -39.14 90.77 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.8 -0.637 . . . . 30.57 110.587 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.77 90.21 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 116.001 1.852 . . . . 31.53 116.001 173.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -64.84 -45.41 86.23 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.99 1.107 . . . . 82.93 113.99 173.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.95 -39.1 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.071 -1.085 . . . . 26.62 108.071 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.01 -53.35 56.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.888 1.07 . . . . 32.88 113.888 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.19 -30.41 73.77 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 123.452 1.584 . . . . 26.54 112.008 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -47.82 57.51 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.929 -1.137 . . . . 26.87 107.929 -177.63 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.38 -39.78 83.94 Favored 'Isoleucine or valine' 0 C--O 1.276 2.476 0 O-C-N 121.531 -0.731 . . . . 26.61 111.955 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -54.68 -39.77 68.43 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.731 1.269 . . . . 61.1 111.333 173.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -39.94 69.15 Favored 'General case' 0 CA--C 1.48 -1.725 0 CA-C-N 116.282 -0.417 . . . . 28.18 111.804 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.04 -43.91 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 O-C-N 124.993 1.433 . . . . 28.88 110.785 177.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -52.88 -42.48 65.31 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 115.26 -0.882 . . . . 34.95 112.412 170.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -75.32 -33.95 61.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 118.586 -0.721 . . . . 55.8 109.71 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.17 -46.47 85.66 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 119.413 1.006 . . . . 34.04 112.424 172.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.09 78.59 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 121.362 0.601 . . . . 35.13 110.802 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.27 69.4 Favored 'General case' 0 C--O 1.19 -2.029 0 N-CA-C 113.904 1.076 . . . . 37.15 113.904 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.8 -0.79 55.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.163 1.912 . . . . 77.42 116.163 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.71 33.29 60.62 Favored Glycine 0 C--O 1.215 -1.069 0 CA-C-N 119.414 1.007 . . . . 35.7 113.73 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -60.2 159.58 9.57 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 122.126 0.965 . . . . 33.04 112.956 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -66.51 139.43 57.94 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 109.163 -0.68 . . . . 51.56 109.163 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -55.47 -45.03 99.93 Favored Pre-proline 0 N--CA 1.427 -1.594 0 O-C-N 124.59 1.181 . . . . 36.45 113.661 -174.412 165.434 22.008 168.737 131.38 34.125 99.002 -128.39 -54.855 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -61.53 -31.64 87.62 Favored 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 116.264 -2.024 . . . . 30.86 114.577 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.2 -47.2 86.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.245 1.022 . . . . 44.1 109.636 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.17 -46.35 93.79 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 114.367 -1.288 . . . . 31.3 110.697 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.08 -30.94 64.05 Favored 'General case' 0 C--O 1.204 -1.296 0 C-N-CA 120.34 -0.544 . . . . 28.32 110.592 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 114.091 1.145 . . . . 48.98 114.091 168.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -76.64 -32.99 58.35 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 118.032 -0.985 . . . . 25.4 110.484 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.15 -44.76 99.45 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 118.599 -1.24 . . . . 24.43 111.172 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.49 99.34 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.198 -0.91 . . . . 25.26 110.633 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.32 -42.99 87.95 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 113.085 0.772 . . . . 24.63 113.085 174.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.86 -43.52 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 O-C-N 121.189 -0.944 . . . . 24.76 113.351 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -56.2 -39.48 72.49 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.967 0.889 . . . . 32.09 112.758 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -68.74 -42.11 78.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 118.217 -0.897 . . . . 69.24 112.82 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.77 98.57 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 123.97 0.908 . . . . 24.93 110.842 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.6 mt -65.75 -44.92 84.47 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 121.848 0.833 . . . . 24.87 112.177 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -55.46 -45.23 76.91 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 123.078 0.551 . . . . 44.52 111.606 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -66.33 -41.56 89.44 Favored 'General case' 0 CA--C 1.494 -1.181 0 N-CA-C 115.36 1.615 . . . . 36.14 115.36 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 57.4 m -58.87 -44.86 91.16 Favored 'General case' 0 C--O 1.186 -2.238 0 CA-C-N 114.797 -1.092 . . . . 26.51 113.661 173.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.58 87.42 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 114.217 1.191 . . . . 29.57 114.217 173.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -58.8 -43.81 90.6 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 114.509 -1.223 . . . . 48.58 113.193 172.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.19 -44.39 99.29 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 CA-C-O 120.876 0.369 . . . . 31.83 110.803 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.82 -47.49 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 109.601 -0.518 . . . . 32.27 109.601 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -54.62 -45.02 73.63 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 113.494 0.924 . . . . 34.64 113.494 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.61 73.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.147 1.536 . . . . 32.56 115.147 172.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.98 -29.36 70.2 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 118.517 2.784 . . . . 39.67 118.517 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -130.54 30.51 4.68 Favored 'General case' 0 C--O 1.203 -1.364 0 C-N-CA 123.288 0.635 . . . . 40.49 110.851 -171.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.8 ttm -47.62 -44.39 26.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.748 1.018 . . . . 36.14 113.748 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.33 -47.88 77.88 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.279 -0.418 . . . . 42.24 111.257 -174.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.7 p -85.06 -19.76 31.43 Favored 'General case' 0 C--O 1.197 -1.693 0 N-CA-C 115.321 1.601 . . . . 39.92 115.321 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 58.6 m -74.96 -30.48 61.22 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 118.411 -0.804 . . . . 39.12 113.062 170.157 -54.855 -128.39 168.737 99.002 34.125 131.38 22.008 165.434 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . 0.555 ' C ' ' O ' ' A' ' 235' ' ' HOH . 53.7 mt . . . . . 0 N--CA 1.489 1.522 0 CA-C-N 119.679 1.127 . . . . 38.75 113.02 -176.229 . . . . . . . . 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 orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . 0.555 ' O ' ' C ' ' A' ' 76' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttp . . . . . 0 N--CA 1.526 3.36 0 CA-C-O 118.185 -0.912 . . . . 56.89 113.204 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -99.55 140.63 33.46 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.926 1.239 . . . . 38.13 109.434 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.1 mtm105 -59.76 140.69 56.33 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 118.82 -1.152 . . . . 77.32 111.539 176.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -39.34 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.384 1.253 . . . . 101.54 114.384 174.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.61 -37.35 70.57 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.676 1.361 . . . . 117.1 114.676 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.51 -49.57 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 124.24 0.963 . . . . 45.03 112.045 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.83 -43.79 97.86 Favored 'Isoleucine or valine' 0 C--O 1.264 1.845 0 CA-C-O 121.572 0.701 . . . . 36.02 110.312 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -64.37 -42.9 95.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.669 -1.15 . . . . 56.2 113.535 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -45.53 82.07 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 124.603 1.189 . . . . 57.32 110.029 174.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.84 -39.14 90.77 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.8 -0.637 . . . . 30.57 110.587 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.77 90.21 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 116.001 1.852 . . . . 31.53 116.001 173.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -64.84 -45.41 86.23 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.99 1.107 . . . . 82.93 113.99 173.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.95 -39.1 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.071 -1.085 . . . . 26.62 108.071 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.01 -53.35 56.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.888 1.07 . . . . 32.88 113.888 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.19 -30.41 73.77 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 123.452 1.584 . . . . 26.54 112.008 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -47.82 57.51 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.929 -1.137 . . . . 26.87 107.929 -177.63 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.38 -39.78 83.94 Favored 'Isoleucine or valine' 0 C--O 1.276 2.476 0 O-C-N 121.531 -0.731 . . . . 26.61 111.955 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -54.68 -39.77 68.43 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.731 1.269 . . . . 61.1 111.333 173.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -39.94 69.15 Favored 'General case' 0 CA--C 1.48 -1.725 0 CA-C-N 116.282 -0.417 . . . . 28.18 111.804 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.04 -43.91 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 O-C-N 124.993 1.433 . . . . 28.88 110.785 177.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -52.88 -42.48 65.31 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 115.26 -0.882 . . . . 34.95 112.412 170.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -75.32 -33.95 61.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 118.586 -0.721 . . . . 55.8 109.71 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.17 -46.47 85.66 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 119.413 1.006 . . . . 34.04 112.424 172.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.09 78.59 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 121.362 0.601 . . . . 35.13 110.802 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.27 69.4 Favored 'General case' 0 C--O 1.19 -2.029 0 N-CA-C 113.904 1.076 . . . . 37.15 113.904 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.8 -0.79 55.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.163 1.912 . . . . 77.42 116.163 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.71 33.29 60.62 Favored Glycine 0 C--O 1.215 -1.069 0 CA-C-N 119.414 1.007 . . . . 35.7 113.73 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -60.2 159.58 9.57 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 122.126 0.965 . . . . 33.04 112.956 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -66.51 139.43 57.94 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 109.163 -0.68 . . . . 51.56 109.163 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -55.47 -45.03 99.93 Favored Pre-proline 0 N--CA 1.427 -1.594 0 O-C-N 124.59 1.181 . . . . 36.45 113.661 -174.412 165.434 22.008 168.737 131.38 34.125 99.002 -128.39 -54.855 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -61.53 -31.64 87.62 Favored 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 116.264 -2.024 . . . . 30.86 114.577 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.2 -47.2 86.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.245 1.022 . . . . 44.1 109.636 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.17 -46.35 93.79 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 114.367 -1.288 . . . . 31.3 110.697 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.08 -30.94 64.05 Favored 'General case' 0 C--O 1.204 -1.296 0 C-N-CA 120.34 -0.544 . . . . 28.32 110.592 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 114.091 1.145 . . . . 48.98 114.091 168.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -76.64 -32.99 58.35 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 118.032 -0.985 . . . . 25.4 110.484 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.15 -44.76 99.45 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 118.599 -1.24 . . . . 24.43 111.172 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.49 99.34 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.198 -0.91 . . . . 25.26 110.633 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.32 -42.99 87.95 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 113.085 0.772 . . . . 24.63 113.085 174.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.86 -43.52 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 O-C-N 121.189 -0.944 . . . . 24.76 113.351 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -56.2 -39.48 72.49 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.967 0.889 . . . . 32.09 112.758 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -68.74 -42.11 78.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 118.217 -0.897 . . . . 69.24 112.82 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.77 98.57 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 123.97 0.908 . . . . 24.93 110.842 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.6 mt -65.75 -44.92 84.47 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 121.848 0.833 . . . . 24.87 112.177 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -55.46 -45.23 76.91 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 123.078 0.551 . . . . 44.52 111.606 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -66.33 -41.56 89.44 Favored 'General case' 0 CA--C 1.494 -1.181 0 N-CA-C 115.36 1.615 . . . . 36.14 115.36 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 57.4 m -58.87 -44.86 91.16 Favored 'General case' 0 C--O 1.186 -2.238 0 CA-C-N 114.797 -1.092 . . . . 26.51 113.661 173.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.58 87.42 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 114.217 1.191 . . . . 29.57 114.217 173.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -58.8 -43.81 90.6 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 114.509 -1.223 . . . . 48.58 113.193 172.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.19 -44.39 99.29 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 CA-C-O 120.876 0.369 . . . . 31.83 110.803 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.82 -47.49 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 109.601 -0.518 . . . . 32.27 109.601 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -54.62 -45.02 73.63 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 113.494 0.924 . . . . 34.64 113.494 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.61 73.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.147 1.536 . . . . 32.56 115.147 172.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.98 -29.36 70.2 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 118.517 2.784 . . . . 39.67 118.517 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -130.54 30.51 4.68 Favored 'General case' 0 C--O 1.203 -1.364 0 C-N-CA 123.288 0.635 . . . . 40.49 110.851 -171.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.8 ttm -47.62 -44.39 26.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.748 1.018 . . . . 36.14 113.748 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.33 -47.88 77.88 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.279 -0.418 . . . . 42.24 111.257 -174.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.7 p -85.06 -19.76 31.43 Favored 'General case' 0 C--O 1.197 -1.693 0 N-CA-C 115.321 1.601 . . . . 39.92 115.321 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 58.6 m -74.96 -30.48 61.22 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 118.411 -0.804 . . . . 39.12 113.062 170.157 -54.855 -128.39 168.737 99.002 34.125 131.38 22.008 165.434 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . 0.555 ' C ' ' O ' ' A' ' 235' ' ' HOH . 53.7 mt . . . . . 0 N--CA 1.489 1.522 0 CA-C-N 119.679 1.127 . . . . 38.75 113.02 -176.229 . . . . . . . . 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 build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . 0.555 ' O ' ' C ' ' A' ' 76' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttp . . . . . 0 N--CA 1.526 3.36 0 CA-C-O 118.185 -0.912 . . . . 56.89 113.204 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -99.55 140.63 33.46 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 119.926 1.239 . . . . 38.13 109.434 175.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.1 mtm105 -59.76 140.69 56.33 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 118.82 -1.152 . . . . 77.32 111.539 176.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.44 -39.34 10.44 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.384 1.253 . . . . 101.54 114.384 174.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.61 -37.35 70.57 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.676 1.361 . . . . 117.1 114.676 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.7 t -61.51 -49.57 83.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 124.24 0.963 . . . . 45.03 112.045 171.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.83 -43.79 97.86 Favored 'Isoleucine or valine' 0 C--O 1.264 1.845 0 CA-C-O 121.572 0.701 . . . . 36.02 110.312 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -64.37 -42.9 95.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.669 -1.15 . . . . 56.2 113.535 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -45.53 82.07 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 124.603 1.189 . . . . 57.32 110.029 174.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 51.3 mt -61.84 -39.14 90.77 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.8 -0.637 . . . . 30.57 110.587 178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.13 -38.77 90.21 Favored 'General case' 0 N--CA 1.494 1.738 0 N-CA-C 116.001 1.852 . . . . 31.53 116.001 173.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.2 mtp-105 -64.84 -45.41 86.23 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 113.99 1.107 . . . . 82.93 113.99 173.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.95 -39.1 82.4 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 N-CA-C 108.071 -1.085 . . . . 26.62 108.071 177.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -55.01 -53.35 56.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.888 1.07 . . . . 32.88 113.888 173.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.19 -30.41 73.77 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 123.452 1.584 . . . . 26.54 112.008 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.79 -47.82 57.51 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.929 -1.137 . . . . 26.87 107.929 -177.63 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.38 -39.78 83.94 Favored 'Isoleucine or valine' 0 C--O 1.276 2.476 0 O-C-N 121.531 -0.731 . . . . 26.61 111.955 176.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 15.2 ttp-105 -54.68 -39.77 68.43 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 124.731 1.269 . . . . 61.1 111.333 173.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.92 -39.94 69.15 Favored 'General case' 0 CA--C 1.48 -1.725 0 CA-C-N 116.282 -0.417 . . . . 28.18 111.804 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -62.04 -43.91 98.28 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.393 0 O-C-N 124.993 1.433 . . . . 28.88 110.785 177.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -52.88 -42.48 65.31 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 115.26 -0.882 . . . . 34.95 112.412 170.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -75.32 -33.95 61.2 Favored 'General case' 0 N--CA 1.422 -1.856 0 CA-C-O 118.586 -0.721 . . . . 55.8 109.71 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.17 -46.47 85.66 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 119.413 1.006 . . . . 34.04 112.424 172.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.19 -49.09 78.59 Favored 'General case' 0 C--O 1.211 -0.955 0 CA-C-O 121.362 0.601 . . . . 35.13 110.802 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.77 -34.27 69.4 Favored 'General case' 0 C--O 1.19 -2.029 0 N-CA-C 113.904 1.076 . . . . 37.15 113.904 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.8 -0.79 55.05 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 116.163 1.912 . . . . 77.42 116.163 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.71 33.29 60.62 Favored Glycine 0 C--O 1.215 -1.069 0 CA-C-N 119.414 1.007 . . . . 35.7 113.73 175.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -60.2 159.58 9.57 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 122.126 0.965 . . . . 33.04 112.956 171.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -66.51 139.43 57.94 Favored 'General case' 0 CA--C 1.493 -1.221 0 N-CA-C 109.163 -0.68 . . . . 51.56 109.163 -178.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.2 t -55.47 -45.03 99.93 Favored Pre-proline 0 N--CA 1.427 -1.594 0 O-C-N 124.59 1.181 . . . . 36.45 113.661 -174.412 165.434 22.008 168.737 131.38 34.125 99.002 -128.39 -54.855 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -61.53 -31.64 87.62 Favored 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 116.264 -2.024 . . . . 30.86 114.577 -179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -60.2 -47.2 86.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 122.245 1.022 . . . . 44.1 109.636 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.6 mt -64.17 -46.35 93.79 Favored 'Isoleucine or valine' 0 C--O 1.249 1.029 0 CA-C-N 114.367 -1.288 . . . . 31.3 110.697 -178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.1 mt -73.08 -30.94 64.05 Favored 'General case' 0 C--O 1.204 -1.296 0 C-N-CA 120.34 -0.544 . . . . 28.32 110.592 -174.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.8 tp -55.87 -43.04 76.76 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 114.091 1.145 . . . . 48.98 114.091 168.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -76.64 -32.99 58.35 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 118.032 -0.985 . . . . 25.4 110.484 -176.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.15 -44.76 99.45 Favored 'Isoleucine or valine' 0 C--O 1.25 1.111 0 C-N-CA 118.599 -1.24 . . . . 24.43 111.172 174.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.82 -41.49 99.34 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.198 -0.91 . . . . 25.26 110.633 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.32 -42.99 87.95 Favored 'General case' 0 C--O 1.202 -1.447 0 N-CA-C 113.085 0.772 . . . . 24.63 113.085 174.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.86 -43.52 98.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 O-C-N 121.189 -0.944 . . . . 24.76 113.351 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -56.2 -39.48 72.49 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.967 0.889 . . . . 32.09 112.758 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -68.74 -42.11 78.04 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 118.217 -0.897 . . . . 69.24 112.82 176.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.12 -40.77 98.57 Favored 'General case' 0 C--O 1.253 1.253 0 C-N-CA 123.97 0.908 . . . . 24.93 110.842 177.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 25.6 mt -65.75 -44.92 84.47 Favored 'General case' 0 CA--C 1.555 1.142 0 CA-C-O 121.848 0.833 . . . . 24.87 112.177 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -55.46 -45.23 76.91 Favored 'General case' 0 C--O 1.197 -1.677 0 C-N-CA 123.078 0.551 . . . . 44.52 111.606 171.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -66.33 -41.56 89.44 Favored 'General case' 0 CA--C 1.494 -1.181 0 N-CA-C 115.36 1.615 . . . . 36.14 115.36 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 57.4 m -58.87 -44.86 91.16 Favored 'General case' 0 C--O 1.186 -2.238 0 CA-C-N 114.797 -1.092 . . . . 26.51 113.661 173.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.39 -42.58 87.42 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 114.217 1.191 . . . . 29.57 114.217 173.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -58.8 -43.81 90.6 Favored 'General case' 0 C--O 1.19 -2.037 0 CA-C-N 114.509 -1.223 . . . . 48.58 113.193 172.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.0 t -63.19 -44.39 99.29 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.296 0 CA-C-O 120.876 0.369 . . . . 31.83 110.803 177.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -66.82 -47.49 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 109.601 -0.518 . . . . 32.27 109.601 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -54.62 -45.02 73.63 Favored 'General case' 0 CA--C 1.561 1.403 0 N-CA-C 113.494 0.924 . . . . 34.64 113.494 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.29 -50.61 73.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 115.147 1.536 . . . . 32.56 115.147 172.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -61.98 -29.36 70.2 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 118.517 2.784 . . . . 39.67 118.517 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -130.54 30.51 4.68 Favored 'General case' 0 C--O 1.203 -1.364 0 C-N-CA 123.288 0.635 . . . . 40.49 110.851 -171.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 44.8 ttm -47.62 -44.39 26.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.748 1.018 . . . . 36.14 113.748 -173.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.33 -47.88 77.88 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.279 -0.418 . . . . 42.24 111.257 -174.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.7 p -85.06 -19.76 31.43 Favored 'General case' 0 C--O 1.197 -1.693 0 N-CA-C 115.321 1.601 . . . . 39.92 115.321 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 58.6 m -74.96 -30.48 61.22 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-O 118.411 -0.804 . . . . 39.12 113.062 170.157 -54.855 -128.39 168.737 99.002 34.125 131.38 22.008 165.434 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.555 ' C ' ' O ' ' A' ' 235' ' ' HOH . 53.7 mt . . . . . 0 N--CA 1.489 1.522 0 CA-C-N 119.679 1.127 . . . . 38.75 113.02 -176.229 . . . . . . . . 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 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . 0.555 ' O ' ' C ' ' A' ' 76' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_