data_6htl_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 6htl _Structure_validation_residue.Date_analyzed 2019-05-31 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 ' 2' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.033 . . . . . . . . 42.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.22 98.68 5.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.449 -0.574 . . . . 36.6 109.449 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.46 138.26 58.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.215 0.606 . . . . 54.78 111.019 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -56.24 -40.32 73.95 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 125.083 1.353 . . . . 47.68 112.795 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.22 -40.08 78.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.853 1.261 . . . . 72.7 111.691 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.31 -41.81 76.25 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.681 -1.229 . . . . 25.08 107.681 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.56 -49.84 73.65 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.193 1.397 . . . . 27.98 109.434 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -60.64 -39.09 86.99 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.702 1.201 . . . . 34.61 112.187 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -73.21 -35.26 66.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.59 0.756 . . . . 28.2 111.902 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.03 -40.53 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 124.289 1.036 . . . . 18.6 108.389 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.97 -33.18 75.23 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.402 -0.592 . . . . 61.78 109.402 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -66.89 -41.42 87.21 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.724 1.21 . . . . 32.62 108.641 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.27 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 123.821 0.849 . . . . 18.43 110.398 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -66.2 -40.4 90.36 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.094 1.358 . . . . 31.63 111.446 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.6 m -64.69 -44.53 90.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.347 1.059 . . . . 22.77 108.925 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.6 98.46 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.796 0.838 . . . . 18.28 110.463 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.29 -42.82 99.3 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.527 1.131 . . . . 20.28 111.783 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.11 93.61 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.998 1.719 . . . . 16.08 110.032 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -67.65 -42.22 82.58 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 118.759 -0.639 . . . . 16.59 111.53 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.5 mt -62.67 -44.61 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.038 1.335 . . . . 19.01 110.422 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -60.08 -48.05 83.31 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.171 0.988 . . . . 20.55 108.643 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -56.8 -44.48 81.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.201 1.0 . . . . 35.51 110.295 177.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -68.84 -32.9 72.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.239 -0.886 . . . . 15.92 113.047 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.36 -38.74 88.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.387 1.075 . . . . 26.32 112.549 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.75 -35.26 67.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.292 0.637 . . . . 23.4 109.717 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.85 -42.38 98.98 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 107.304 -1.369 . . . . 36.0 107.304 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.21 -50.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 124.364 1.066 . . . . 16.72 111.38 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mt -56.76 -40.78 72.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 C-N-CA 125.412 1.485 . . . . 21.01 110.203 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -44.35 96.35 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 123.631 0.773 . . . . 34.63 111.789 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.9 -25.63 66.48 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.559 0.744 . . . . 23.92 111.192 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.7 mt -84.66 -0.59 54.0 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.512 1.525 . . . . 21.75 113.189 178.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.2 -29.39 69.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.978 -0.534 . . . . 63.89 112.213 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.3 p -89.15 0.21 56.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.149 1.166 . . . . 35.19 114.149 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.11 -46.94 86.56 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 118.01 -0.995 . . . . 39.23 109.829 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.88 -19.18 40.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 CA-C-N 121.242 1.479 . . . . 25.62 114.003 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.95 -46.69 51.04 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.235 -1.395 . . . . 56.03 107.235 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.45 -48.18 89.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 125.825 1.65 . . . . 24.76 110.721 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.07 -45.46 87.09 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 123.699 0.625 . . . . 55.59 110.76 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 -48.53 85.42 Favored Glycine 0 CA--C 1.506 -0.522 0 C-N-CA 124.902 1.239 . . . . 22.15 112.453 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -61.99 -43.75 98.18 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.521 0.729 . . . . 64.65 112.917 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.34 -42.27 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 126.126 1.771 . . . . 22.92 110.558 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.32 -30.0 67.95 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.46 1.104 . . . . 51.34 110.597 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -71.63 -43.12 66.7 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.822 1.249 . . . . 37.0 110.488 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.63 -53.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 124.914 1.286 . . . . 20.8 107.827 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -50.44 -46.69 56.74 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.974 1.31 . . . . 51.5 110.794 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -61.07 -45.02 96.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.508 1.123 . . . . 59.91 111.4 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.42 -37.97 86.4 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.439 1.495 . . . . 65.45 111.681 -179.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.85 -39.98 87.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.878 1.271 . . . . 37.08 111.023 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.5 -47.44 81.71 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.907 -0.568 . . . . 45.49 110.119 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . . . -57.95 -39.92 79.25 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.416 1.486 . . . . 31.04 110.218 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.56 -45.23 87.97 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 126.395 1.878 . . . . 74.66 112.006 178.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -57.88 -38.98 76.75 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.914 1.685 . . . . 57.39 109.301 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.34 -44.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 C-N-CA 125.706 1.603 . . . . 46.27 110.666 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -61.28 -41.83 97.63 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.502 1.521 . . . . 50.35 110.93 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.36 -37.71 78.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 123.963 0.905 . . . . 44.91 109.666 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -67.64 -34.18 76.45 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.778 0.831 . . . . 58.09 111.804 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.6 m -69.78 -42.15 74.18 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.864 1.666 . . . . 58.57 108.744 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.63 81.21 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.952 1.301 . . . . 59.21 109.749 177.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . . . -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.459 1.104 . . . . 63.66 109.97 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.47 -51.25 38.17 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 123.943 0.777 . . . . 66.37 112.537 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . . . -61.23 -26.46 67.76 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.132 0.973 . . . . 70.05 112.919 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.3 -39.28 33.28 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.795 0.838 . . . . 73.77 110.438 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -77.16 52.01 0.87 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.866 0.867 . . . . 81.34 111.605 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.35 0.625 0 C-N-CA 126.781 2.032 . . . . 111.52 110.56 178.812 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1101 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1102 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1103 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1104 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1105 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1106 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1107 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1108 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1109 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1110 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1111 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1112 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1113 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1114 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1115 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1116 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1117 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1118 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1119 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1120 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1121 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1122 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1123 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1124 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1125 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1126 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1127 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1128 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1129 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1130 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1131 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1132 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1133 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1134 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1135 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1136 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1137 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1138 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1139 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1140 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1141 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1142 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.033 . . . . . . . . 42.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.22 98.68 5.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.449 -0.574 . . . . 36.6 109.449 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.46 138.26 58.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.215 0.606 . . . . 54.78 111.019 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -56.24 -40.32 73.95 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 125.083 1.353 . . . . 47.68 112.795 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.22 -40.08 78.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.853 1.261 . . . . 72.7 111.691 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.31 -41.81 76.25 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.681 -1.229 . . . . 25.08 107.681 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.56 -49.84 73.65 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.193 1.397 . . . . 27.98 109.434 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -60.64 -39.09 86.99 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.702 1.201 . . . . 34.61 112.187 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -73.21 -35.26 66.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.59 0.756 . . . . 28.2 111.902 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.03 -40.53 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 124.289 1.036 . . . . 18.6 108.389 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.97 -33.18 75.23 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.402 -0.592 . . . . 61.78 109.402 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -66.89 -41.42 87.21 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.724 1.21 . . . . 32.62 108.641 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.27 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 123.821 0.849 . . . . 18.43 110.398 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -66.2 -40.4 90.36 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.094 1.358 . . . . 31.63 111.446 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.6 m -64.69 -44.53 90.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.347 1.059 . . . . 22.77 108.925 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.6 98.46 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.796 0.838 . . . . 18.28 110.463 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.29 -42.82 99.3 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.527 1.131 . . . . 20.28 111.783 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.11 93.61 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.998 1.719 . . . . 16.08 110.032 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -67.65 -42.22 82.58 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 118.759 -0.639 . . . . 16.59 111.53 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.5 mt -62.67 -44.61 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.038 1.335 . . . . 19.01 110.422 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -60.08 -48.05 83.31 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.171 0.988 . . . . 20.55 108.643 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -56.8 -44.48 81.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.201 1.0 . . . . 35.51 110.295 177.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -68.84 -32.9 72.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.239 -0.886 . . . . 15.92 113.047 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.36 -38.74 88.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.387 1.075 . . . . 26.32 112.549 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.75 -35.26 67.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.292 0.637 . . . . 23.4 109.717 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.85 -42.38 98.98 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 107.304 -1.369 . . . . 36.0 107.304 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.21 -50.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 124.364 1.066 . . . . 16.72 111.38 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mt -56.76 -40.78 72.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 C-N-CA 125.412 1.485 . . . . 21.01 110.203 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -44.35 96.35 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 123.631 0.773 . . . . 34.63 111.789 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.9 -25.63 66.48 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.559 0.744 . . . . 23.92 111.192 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HA ' HD13 ' A' ' 35' ' ' ILE . 85.7 mt -84.66 -0.59 54.0 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.512 1.525 . . . . 21.75 113.189 178.165 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.2 -29.39 69.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.978 -0.534 . . . . 63.89 112.213 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.3 p -89.15 0.21 56.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.149 1.166 . . . . 35.19 114.149 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.542 HD13 ' HA ' ' A' ' 32' ' ' LEU . 1.8 mp -63.11 -46.94 86.56 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 118.01 -0.995 . . . . 39.23 109.829 177.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.88 -19.18 40.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 CA-C-N 121.242 1.479 . . . . 25.62 114.003 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.95 -46.69 51.04 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.235 -1.395 . . . . 56.03 107.235 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.45 -48.18 89.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 125.825 1.65 . . . . 24.76 110.721 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.07 -45.46 87.09 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 123.699 0.625 . . . . 55.59 110.76 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 -48.53 85.42 Favored Glycine 0 CA--C 1.506 -0.522 0 C-N-CA 124.902 1.239 . . . . 22.15 112.453 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -61.99 -43.75 98.18 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.521 0.729 . . . . 64.65 112.917 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.34 -42.27 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 126.126 1.771 . . . . 22.92 110.558 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.32 -30.0 67.95 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.46 1.104 . . . . 51.34 110.597 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -71.63 -43.12 66.7 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.822 1.249 . . . . 37.0 110.488 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.63 -53.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 124.914 1.286 . . . . 20.8 107.827 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -50.44 -46.69 56.74 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.974 1.31 . . . . 51.5 110.794 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -61.07 -45.02 96.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.508 1.123 . . . . 59.91 111.4 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.42 -37.97 86.4 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.439 1.495 . . . . 65.45 111.681 -179.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.85 -39.98 87.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.878 1.271 . . . . 37.08 111.023 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.5 -47.44 81.71 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.907 -0.568 . . . . 45.49 110.119 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . . . -57.95 -39.92 79.25 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.416 1.486 . . . . 31.04 110.218 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.56 -45.23 87.97 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 126.395 1.878 . . . . 74.66 112.006 178.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -57.88 -38.98 76.75 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.914 1.685 . . . . 57.39 109.301 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.34 -44.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 C-N-CA 125.706 1.603 . . . . 46.27 110.666 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -61.28 -41.83 97.63 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.502 1.521 . . . . 50.35 110.93 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.36 -37.71 78.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 123.963 0.905 . . . . 44.91 109.666 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -67.64 -34.18 76.45 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.778 0.831 . . . . 58.09 111.804 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.6 m -69.78 -42.15 74.18 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.864 1.666 . . . . 58.57 108.744 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.63 81.21 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.952 1.301 . . . . 59.21 109.749 177.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . . . -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.459 1.104 . . . . 63.66 109.97 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.47 -51.25 38.17 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 123.943 0.777 . . . . 66.37 112.537 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . . . -61.23 -26.46 67.76 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.132 0.973 . . . . 70.05 112.919 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.3 -39.28 33.28 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.795 0.838 . . . . 73.77 110.438 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -77.16 52.01 0.87 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.866 0.867 . . . . 81.34 111.605 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.35 0.625 0 C-N-CA 126.781 2.032 . . . . 111.52 110.56 178.812 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1101 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1102 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1103 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1104 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1105 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1106 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1107 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1108 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1109 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1110 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1111 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1112 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1113 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1114 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1115 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1116 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1117 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1118 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1119 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1120 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1121 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1122 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1123 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1124 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1125 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1126 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1127 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1128 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1129 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1130 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1131 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1132 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1133 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1134 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1135 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1136 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1137 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1138 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1139 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1140 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1141 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1142 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.033 . . . . . . . . 42.130000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -78.22 98.68 5.96 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 109.449 -0.574 . . . . 36.600000000000001 109.449 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.46 138.26 58.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.215 0.606 . . . . 54.780000000000001 111.019 -179.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -56.24 -40.32 73.95 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 125.083 1.353 . . . . 47.68 112.795 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -69.22 -40.08 78.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.853 1.261 . . . . 72.700000000000003 111.691 -179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.31 -41.81 76.25 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 107.681 -1.229 . . . . 25.079999999999998 107.681 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.56 -49.84 73.65 Favored 'General case' 0 C--N 1.363 1.195 0 C-N-CA 125.193 1.397 . . . . 27.98 109.434 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 t -60.64 -39.09 86.99 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.702 1.201 . . . . 34.609999999999999 112.187 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -73.21 -35.26 66.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.59 0.756 . . . . 28.199999999999999 111.902 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 23.3 t -65.03 -40.53 89.31 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 C-N-CA 124.289 1.036 . . . . 18.600000000000001 108.389 175.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -65.97 -33.18 75.23 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.402 -0.592 . . . . 61.780000000000001 109.402 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -66.89 -41.42 87.21 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 124.724 1.21 . . . . 32.619999999999997 108.641 177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.27 -41.5 93.01 Favored 'Isoleucine or valine' 0 C--N 1.359 0.993 0 C-N-CA 123.821 0.849 . . . . 18.43 110.398 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 mttt -66.2 -40.4 90.36 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.094 1.358 . . . . 31.629999999999999 111.446 179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 84.6 m -64.69 -44.53 90.02 Favored 'General case' 0 C--N 1.356 0.865 0 C-N-CA 124.347 1.059 . . . . 22.77 108.925 178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.6 98.46 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 123.796 0.838 . . . . 18.280000000000001 110.463 179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.29 -42.82 99.3 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 124.527 1.131 . . . . 20.280000000000001 111.783 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.45 -39.11 93.61 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 125.998 1.719 . . . . 16.079999999999998 110.032 179.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . . . -67.65 -42.22 82.58 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 118.759 -0.639 . . . . 16.59 111.53 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.5 mt -62.67 -44.61 99.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.038 1.335 . . . . 19.010000000000002 110.422 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -60.08 -48.05 83.31 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.171 0.988 . . . . 20.550000000000001 108.643 178.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -56.8 -44.48 81.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 124.201 1.0 . . . . 35.509999999999998 110.295 177.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -68.84 -32.9 72.92 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 118.239 -0.886 . . . . 15.92 113.047 -179.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -61.36 -38.74 88.08 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 124.387 1.075 . . . . 26.32 112.549 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -72.75 -35.26 67.44 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.292 0.637 . . . . 23.399999999999999 109.717 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -61.85 -42.38 98.98 Favored 'General case' 0 CA--C 1.561 1.4 0 N-CA-C 107.304 -1.369 . . . . 36.0 107.304 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.7 mt -64.21 -50.02 78.59 Favored 'Isoleucine or valine' 0 C--N 1.349 0.583 0 C-N-CA 124.364 1.066 . . . . 16.719999999999999 111.38 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mt -56.76 -40.78 72.67 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 C-N-CA 125.412 1.485 . . . . 21.010000000000002 110.203 177.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.7 m -62.87 -44.35 96.35 Favored 'General case' 0 C--N 1.359 1.014 0 C-N-CA 123.631 0.773 . . . . 34.630000000000003 111.789 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -66.9 -25.63 66.48 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.559 0.744 . . . . 23.920000000000002 111.192 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HA ' HD13 ' A' ' 35' ' ' ILE . 85.7 mt -84.66 -0.59 54.0 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.512 1.525 . . . . 21.75 113.189 178.165 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.2 -29.39 69.04 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 118.978 -0.534 . . . . 63.890000000000001 112.213 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 64.3 p -89.15 0.21 56.91 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 114.149 1.166 . . . . 35.189999999999998 114.149 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.542 HD13 ' HA ' ' A' ' 32' ' ' LEU . 1.8 mp -63.11 -46.94 86.56 Favored Pre-proline 0 CA--C 1.563 1.465 0 CA-C-O 118.01 -0.995 . . . . 39.229999999999997 109.829 177.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -68.88 -19.18 40.79 Favored 'Trans proline' 0 C--N 1.36 1.144 0 CA-C-N 121.242 1.479 . . . . 25.620000000000001 114.003 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -72.95 -46.69 51.04 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.235 -1.395 . . . . 56.030000000000001 107.235 177.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.45 -48.18 89.5 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 C-N-CA 125.825 1.65 . . . . 24.760000000000002 110.721 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.07 -45.46 87.09 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 123.699 0.625 . . . . 55.590000000000003 110.76 179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.13 -48.53 85.42 Favored Glycine 0 CA--C 1.506 -0.522 0 C-N-CA 124.902 1.239 . . . . 22.149999999999999 112.453 178.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -61.99 -43.75 98.18 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 123.521 0.729 . . . . 64.650000000000006 112.917 179.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.34 -42.27 90.18 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 C-N-CA 126.126 1.771 . . . . 22.920000000000002 110.558 178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.32 -30.0 67.95 Favored 'General case' 0 C--N 1.363 1.164 0 C-N-CA 124.46 1.104 . . . . 51.340000000000003 110.597 178.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -71.63 -43.12 66.7 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 124.822 1.249 . . . . 37.0 110.488 175.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.5 mt -57.63 -53.36 45.65 Favored 'Isoleucine or valine' 0 C--N 1.367 1.356 0 C-N-CA 124.914 1.286 . . . . 20.800000000000001 107.827 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -50.44 -46.69 56.74 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.974 1.31 . . . . 51.5 110.794 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -61.07 -45.02 96.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 124.508 1.123 . . . . 59.909999999999997 111.4 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -66.42 -37.97 86.4 Favored 'General case' 0 C--N 1.354 0.762 0 C-N-CA 125.439 1.495 . . . . 65.450000000000003 111.681 -179.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 7.5 mm -64.85 -39.98 87.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 124.878 1.271 . . . . 37.079999999999998 111.023 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -63.5 -47.44 81.71 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 118.907 -0.568 . . . . 45.490000000000002 110.119 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . . . -57.95 -39.92 79.25 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 125.416 1.486 . . . . 31.039999999999999 110.218 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -64.56 -45.23 87.97 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 126.395 1.878 . . . . 74.659999999999997 112.006 178.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -57.88 -38.98 76.75 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 125.914 1.685 . . . . 57.390000000000001 109.301 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.34 -44.58 90.86 Favored 'Isoleucine or valine' 0 C--N 1.348 0.535 0 C-N-CA 125.706 1.603 . . . . 46.270000000000003 110.666 177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -61.28 -41.83 97.63 Favored 'General case' 0 C--N 1.358 0.956 0 C-N-CA 125.502 1.521 . . . . 50.350000000000001 110.93 178.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mt -68.36 -37.71 78.32 Favored 'Isoleucine or valine' 0 C--N 1.346 0.452 0 C-N-CA 123.963 0.905 . . . . 44.909999999999997 109.666 178.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.2 m -67.64 -34.18 76.45 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.778 0.831 . . . . 58.090000000000003 111.804 177.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.6 m -69.78 -42.15 74.18 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.864 1.666 . . . . 58.57 108.744 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.71 -35.63 81.21 Favored 'General case' 0 C--N 1.35 0.593 0 C-N-CA 124.952 1.301 . . . . 59.210000000000001 109.749 177.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . . . -64.74 -41.6 95.81 Favored 'General case' 0 C--N 1.353 0.754 0 C-N-CA 124.459 1.104 . . . . 63.659999999999997 109.97 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -67.47 -51.25 38.17 Favored Glycine 0 C--N 1.336 0.534 0 O-C-N 123.943 0.777 . . . . 66.370000000000005 112.537 178.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . . . -61.23 -26.46 67.76 Favored 'General case' 0 C--N 1.351 0.647 0 C-N-CA 124.132 0.973 . . . . 70.049999999999997 112.919 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 34.4 tp -79.3 -39.28 33.28 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.795 0.838 . . . . 73.769999999999996 110.438 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.6 p -77.16 52.01 0.87 Allowed 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.866 0.867 . . . . 81.340000000000003 111.605 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 84.1 p . . . . . 0 C--N 1.35 0.625 0 C-N-CA 126.781 2.032 . . . . 111.52 110.56 178.812 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1101 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1102 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1103 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1104 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1105 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1106 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1107 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1108 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1109 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1110 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1111 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1112 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1113 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1114 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1115 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1116 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1117 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1118 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1119 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1120 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1121 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1122 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1123 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1124 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1125 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1126 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1127 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1128 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1129 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1130 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1131 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1132 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1133 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1134 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1135 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1136 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1137 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1138 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1139 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1140 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1141 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1142 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_