data_4nc7_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 4nc7 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . 0.56 ' NZ ' ' O ' ' A' ' 239' ' ' HOH . 6.1 pttm . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 114.226 1.195 . . . . 67.670000000000002 114.226 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 224' ' ' HOH . 0.8 OUTLIER -103.1 2.95 35.38 Favored 'General case' 0 CA--C 1.494 -1.203 0 C-N-CA 125.408 1.483 . . . . 80.709999999999994 111.303 -166.275 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -118.34 131.26 56.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.441 -0.948 . . . . 62.149999999999999 108.441 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -73.69 159.31 33.19 Favored 'General case' 0 C--O 1.268 2.067 0 N-CA-C 106.896 -1.52 . . . . 42.469999999999999 106.896 164.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -58.43 -35.34 71.95 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-N 114.546 -1.206 . . . . 48.32 112.545 173.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.08 -46.7 87.61 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 118.793 -1.163 . . . . 78.090000000000003 113.145 172.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.15 -48.86 80.07 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.969 0.793 . . . . 69.010000000000005 110.569 176.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.49 -35.46 70.22 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.023 -0.535 . . . . 44.18 110.874 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.35 -19.1 64.62 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 121.41 -0.806 . . . . 75.239999999999995 112.228 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.45 -15.21 36.01 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.784 1.233 . . . . 77.640000000000001 111.317 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 88.4 mtp -89.29 154.88 19.75 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 114.816 1.413 . . . . 62.920000000000002 114.816 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 135.78 55.75 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 114.327 -1.306 . . . . 50.630000000000003 107.986 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.3 mt -50.62 -39.32 49.9 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.7 -0.852 . . . . 42.880000000000003 108.7 177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.02 -32.16 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.878 0 N-CA-C 115.094 1.516 . . . . 39.880000000000003 115.094 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -78.58 -29.71 46.31 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 118.842 -1.143 . . . . 47.479999999999997 111.005 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.91 -42.02 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 122.358 1.075 . . . . 40.799999999999997 108.669 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.82 99.45 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.451 -0.78 . . . . 32.710000000000001 109.986 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -59.37 -44.57 92.7 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 118.979 -1.088 . . . . 53.969999999999999 108.983 179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -61.54 -39.22 90.3 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 119.268 -0.973 . . . . 65.760000000000005 111.648 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.07 -42.36 99.66 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.601 0.963 . . . . 42.039999999999999 113.601 177.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.54 -37.43 87.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.512 0.672 . . . . 39.920000000000002 111.199 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -65.83 -33.13 75.14 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 118.892 -1.123 . . . . 66.549999999999997 111.42 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -87.82 -25.93 23.08 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 117.197 2.295 . . . . 82.790000000000006 117.197 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -73.74 -38.69 64.68 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.549 0.944 . . . . 103.31999999999999 113.549 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 57.84 22.96 9.16 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.838 1.051 . . . . 81.409999999999997 113.838 -173.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -143.19 153.9 60.44 Favored Pre-proline 0 N--CA 1.482 1.16 0 CA-C-N 119.059 0.845 . . . . 77.609999999999999 110.213 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.22 146.27 40.29 Favored 'Trans proline' 0 CA--C 1.497 -1.328 0 C-N-CA 121.558 1.505 . . . . 33.240000000000002 113.334 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -139.98 130.11 13.93 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 105.251 -2.129 . . . . 39.130000000000003 105.251 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -71.2 153.44 62.17 Favored 'Trans proline' 0 N--CA 1.427 -2.431 0 O-C-N 122.749 0.868 . . . . 32.920000000000002 111.489 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -53.93 -47.02 71.65 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 125.037 1.46 . . . . 32.789999999999999 114.22 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -63.26 -31.4 72.54 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.368 1.248 . . . . 40.219999999999999 114.368 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.62 -39.7 64.35 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.761 1.022 . . . . 64.349999999999994 113.761 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -56.97 -44.54 82.74 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 124.106 0.962 . . . . 38.100000000000001 110.392 169.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.83 -43.91 97.64 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.432 -0.907 . . . . 41.109999999999999 112.405 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.63 -49.54 77.12 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 112.92 0.711 . . . . 44.119999999999997 112.92 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.97 -45.31 90.86 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 116.767 2.136 . . . . 72.129999999999995 116.767 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.4 -43.83 98.66 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-O 121.813 0.816 . . . . 36.130000000000003 111.456 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.53 77.03 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.557 -0.747 . . . . 35.719999999999999 110.661 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -64.15 -42.62 96.71 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 112.397 0.517 . . . . 46.810000000000002 112.397 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.2 -33.06 71.7 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.638 0.607 . . . . 41.57 112.638 172.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -86.71 -0.36 56.15 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 120.991 -1.068 . . . . 43.030000000000001 113.447 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.0 19.9 71.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 123.785 0.707 . . . . 49.600000000000001 112.224 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.77 177.62 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 117.24 0.52 . . . . 42.32 110.686 -175.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -99.44 156.8 16.83 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.402 -0.962 . . . . 67.719999999999999 108.402 168.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -68.61 -33.79 74.65 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 117.451 -1.7 . . . . 62.390000000000001 109.894 -167.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -56.77 -24.67 51.82 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.072 -1.051 . . . . 47.579999999999998 113.052 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -74.92 -14.7 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.846 -1.159 . . . . 49.759999999999998 113.45 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 52' ' ' ASP . 64.7 mt -76.09 -26.36 56.39 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.342 -0.543 . . . . 63.590000000000003 111.01 176.159 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 6.0 -61.13 0.0 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 116.664 1.426 . . . . 68.75 116.664 -178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-20 -59.69 -19.25 48.41 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 119.809 3.262 . . . . 102.79000000000001 119.809 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -115.74 2.59 13.7 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 80.790000000000006 111.58 -169.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.8 mm -65.58 -42.58 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.114 -0.698 . . . . 61.259999999999998 109.114 -175.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.74 -45.84 64.12 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.022 -0.536 . . . . 61.340000000000003 112.33 -175.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -54.5 -38.41 66.45 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.007 -1.077 . . . . 84.890000000000001 109.031 172.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.01 -48.85 64.58 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 124.126 1.917 . . . . 41.299999999999997 111.081 -172.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.19 -44.41 88.06 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 112.343 -2.208 . . . . 52.619999999999997 109.529 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 18.4 m -61.83 -46.92 87.38 Favored 'General case' 0 CA--C 1.45 -2.891 0 CA-C-O 121.3 0.571 . . . . 51.979999999999997 111.057 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.42 -40.67 97.31 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 117.365 -1.734 . . . . 51.670000000000002 114.719 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.47 -41.78 77.13 Favored 'General case' 0 C--O 1.26 1.635 0 C-N-CA 119.135 -1.026 . . . . 31.149999999999999 110.713 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -64.9 -41.5 95.54 Favored 'General case' 0 C--O 1.269 2.115 0 O-C-N 124.352 1.033 . . . . 38.640000000000001 113.647 178.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 mm -81.7 -34.05 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.468 -2.202 0 CA-C-O 118.278 -0.868 . . . . 48.189999999999998 110.601 -172.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.07 132.54 35.11 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 118.536 -1.266 . . . . 47.520000000000003 108.526 -173.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.78 6.58 73.51 Favored Glycine 0 CA--C 1.476 -2.393 0 C-N-CA 119.105 -1.521 . . . . 37.810000000000002 111.623 -177.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -69.01 -22.33 64.08 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 116.316 -2.154 . . . . 38.609999999999999 113.517 167.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.26 144.13 43.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 115.069 1.507 . . . . 41.380000000000003 115.069 -170.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.8 mt -116.28 137.07 52.45 Favored 'General case' 0 C--O 1.277 2.536 0 CA-C-N 115.252 -0.885 . . . . 31.93 109.321 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.58 117.19 21.76 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 105.563 -2.014 . . . . 31.48 105.563 163.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.4 mt -100.86 155.14 18.11 Favored 'General case' 0 C--O 1.271 2.225 0 CA-C-O 122.406 1.098 . . . . 34.640000000000001 109.838 -179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . 0.588 ' O ' ' OG ' ' A' ' 71' ' ' SER . 49.1 m -102.22 96.34 6.91 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.622 -1.251 . . . . 44.159999999999997 107.622 173.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -140.1 150.35 44.2 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 101.024 -3.695 . . . . 40.380000000000003 101.024 168.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -100.18 126.76 46.49 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.488 0.492 . . . . 30.989999999999998 110.653 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.1 m -81.27 138.87 35.7 Favored 'General case' 0 C--O 1.279 2.648 0 O-C-N 123.865 0.728 . . . . 31.289999999999999 111.858 166.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -126.71 145.98 50.38 Favored 'General case' 0 C--O 1.256 1.397 0 CA-C-N 114.545 -1.207 . . . . 27.41 108.869 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.6 -167.23 13.53 Favored Glycine 0 C--O 1.208 -1.504 0 C-N-CA 118.53 -1.795 . . . . 28.789999999999999 110.583 165.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -100.64 131.48 46.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.436 -0.95 . . . . 38.649999999999999 108.436 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . 0.632 ' NH1' ' O ' ' A' ' 231' ' ' HOH . 69.6 ttp85 -53.88 -43.18 69.38 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.373 1.083 . . . . 47.380000000000003 111.847 176.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 p -52.58 -18.05 1.56 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.87 1.063 . . . . 53.100000000000001 113.87 179.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -80.36 2.1 26.24 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 117.843 2.535 . . . . 65.370000000000005 117.843 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 116.105 1.891 . . . . 60.509999999999998 116.105 -167.032 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' B' ' 204' ' ' HOH . 33.3 ttmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 122.552 1.168 . . . . 67.090000000000003 113.622 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -103.52 7.44 37.78 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.153 -1.385 . . . . 66.060000000000002 109.793 -166.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -118.88 142.99 47.25 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.695 -1.202 . . . . 67.560000000000002 110.498 179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -88.21 163.09 16.31 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 104.029 -2.582 . . . . 46.93 104.029 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.16 -31.12 68.7 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 120.168 -0.613 . . . . 63.960000000000001 110.773 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -67.92 -37.36 81.58 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.609 -0.436 . . . . 73.739999999999995 111.002 -177.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -69.19 -43.78 73.48 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.797 0.332 . . . . 71.340000000000003 111.786 174.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.96 -41.91 83.9 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.433 -0.581 . . . . 51.609999999999999 109.433 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.28 -20.54 19.08 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 113.858 1.059 . . . . 97.719999999999999 113.858 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -108.95 17.22 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.836 -0.54 . . . . 83.159999999999997 112.213 179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' MET . . . . . . . . . . . . . 55.5 mtt -105.46 155.37 19.21 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 119.853 -0.739 . . . . 55.990000000000002 110.668 174.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 152.9 44.78 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.792 -1.559 . . . . 46.969999999999999 106.792 170.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -32.71 70.21 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.481 0.657 . . . . 54.57 111.08 180.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.3 -34.0 56.6 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 118.314 -1.355 . . . . 38.170000000000002 111.892 -173.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -67.9 -37.34 81.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.935 -1.03 . . . . 70.200000000000003 111.412 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -64.49 -45.72 94.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.858 0 N-CA-C 109.223 -0.658 . . . . 38.57 109.223 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.72 84.97 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 109.725 -0.472 . . . . 33.409999999999997 109.725 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -58.27 -42.33 86.29 Favored 'General case' 0 C--O 1.278 2.579 0 C-N-CA 118.395 -1.322 . . . . 36.439999999999998 113.222 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -67.37 -33.96 76.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 117.903 -1.519 . . . . 63.850000000000001 110.471 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.52 -45.21 84.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 118.764 -1.174 . . . . 41.609999999999999 108.338 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -63.81 -40.01 95.62 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 121.339 0.59 . . . . 40.560000000000002 112.449 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.75 -39.36 93.5 Favored 'General case' 0 C--O 1.196 -1.737 0 C-N-CA 118.864 -1.134 . . . . 63.32 108.339 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.17 -47.98 82.12 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-O 118.237 -0.887 . . . . 82.319999999999993 112.711 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -102.53 -18.41 15.31 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 117.238 2.31 . . . . 72.609999999999999 117.238 -170.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . 0.607 ' O ' ' CG ' ' B' ' 27' ' ' LYS . 4.4 tptp 56.38 35.22 25.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 116.539 2.052 . . . . 68.540000000000006 116.539 173.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -145.54 156.97 52.86 Favored Pre-proline 0 C--N 1.307 -1.281 0 C-N-CA 117.901 -1.519 . . . . 66.980000000000004 110.867 167.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.62 146.69 96.65 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 O-C-N 123.68 1.358 . . . . 38.289999999999999 113.181 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 95.0 t -132.94 138.3 31.56 Favored Pre-proline 0 CA--C 1.5 -0.946 0 O-C-N 125.374 1.671 . . . . 49.210000000000001 107.205 -175.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -61.98 147.96 94.1 Favored 'Trans proline' 0 CA--C 1.515 -0.435 0 O-C-N 122.739 0.863 . . . . 33.420000000000002 113.096 162.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.37 -48.02 65.84 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.187 1.18 . . . . 38.859999999999999 114.187 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -59.2 -33.41 70.93 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 114.039 1.126 . . . . 62.350000000000001 114.039 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.34 -37.39 63.56 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 119.165 -1.014 . . . . 67.400000000000006 108.659 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.67 -49.34 76.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 108.431 -0.951 . . . . 46.460000000000001 108.431 173.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.63 -46.54 80.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 120.107 -0.637 . . . . 51.299999999999997 109.779 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -57.08 -40.55 77.17 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 123.779 0.674 . . . . 56.640000000000001 109.86 -176.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -78.61 -33.34 47.49 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.987 -0.685 . . . . 77.430000000000007 110.504 -173.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.5 mt -67.69 -45.06 85.46 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 112.465 0.543 . . . . 49.549999999999997 112.465 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.37 95.41 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.355 -0.839 . . . . 66.040000000000006 112.116 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -62.21 -46.38 89.14 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 112.245 0.461 . . . . 64.049999999999997 112.245 174.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.38 -25.19 66.67 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 111.938 0.347 . . . . 55.649999999999999 111.938 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -91.19 2.23 56.51 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 119.629 -0.828 . . . . 51.32 111.16 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.18 18.48 57.88 Favored Glycine 0 CA--C 1.509 -0.302 0 C-N-CA 123.978 0.799 . . . . 71.230000000000004 113.671 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 m -107.24 175.44 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 108.765 -0.828 . . . . 61.460000000000001 108.765 177.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -96.1 147.32 23.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.578 -1.192 . . . . 87.930000000000007 108.339 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -46.66 -44.81 18.79 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.047 0.927 . . . . 86.969999999999999 110.735 -171.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -54.45 -34.59 61.76 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.043 -1.435 . . . . 90.269999999999996 112.478 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -62.89 -28.76 70.27 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.529 -0.868 . . . . 80.489999999999995 111.728 -169.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' B' ' 52' ' ' ASP . 20.5 mt -69.16 -52.67 25.75 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-O 121.382 0.611 . . . . 75.560000000000002 111.483 -179.014 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.96 -76.53 0.0 OUTLIER Glycine 0 C--O 1.221 -0.664 0 CA-C-N 114.758 -1.11 . . . . 78.340000000000003 114.202 174.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' B' ' 50' ' ' LEU . 22.2 m-20 -65.25 -26.63 68.18 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 112.711 0.634 . . . . 110.04000000000001 112.711 -172.448 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -90.3 -13.89 34.31 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.574 0.953 . . . . 76.719999999999999 113.574 -173.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.68 -45.41 98.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.125 -0.943 . . . . 56.719999999999999 109.884 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.37 73.84 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.865 -0.734 . . . . 51.039999999999999 109.763 -175.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -78.17 -34.62 49.53 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 109.666 -0.494 . . . . 96.579999999999998 109.666 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.74 -55.47 34.44 Favored 'General case' 0 N--CA 1.425 -1.718 0 O-C-N 125.358 1.661 . . . . 39.600000000000001 108.952 171.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -47.12 -46.87 23.34 Favored 'General case' 0 N--CA 1.518 2.933 0 CA-C-N 120.123 1.329 . . . . 32.75 109.604 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.44 -32.03 65.94 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.275 -1.516 . . . . 46.969999999999999 111.718 176.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.22 -39.78 82.26 Favored 'General case' 0 CA--C 1.457 -2.609 0 O-C-N 120.516 -1.365 . . . . 41.200000000000003 111.188 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.42 -38.79 74.93 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 124.224 0.953 . . . . 31.100000000000001 110.99 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -70.83 -40.9 72.16 Favored 'General case' 0 C--O 1.173 -2.954 0 CA-C-O 121.965 0.888 . . . . 34.5 113.366 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mt -83.94 -29.26 7.38 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 124.08 0.952 . . . . 43.619999999999997 113.531 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -81.35 120.45 24.96 Favored 'General case' 0 CA--C 1.468 -2.186 0 N-CA-C 105.483 -2.043 . . . . 35.25 105.483 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.87 -5.68 26.72 Favored Glycine 0 C--O 1.21 -1.402 0 N-CA-C 120.742 3.057 . . . . 33.920000000000002 120.742 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -76.09 -15.73 60.05 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 119.763 -2.022 . . . . 39.619999999999997 112.492 175.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -111.18 136.21 50.57 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.448 0.699 . . . . 37.189999999999998 110.509 -170.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.25 133.74 52.93 Favored 'General case' 0 C--O 1.266 1.973 0 O-C-N 124.595 1.184 . . . . 45.850000000000001 110.113 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.78 118.3 22.76 Favored 'General case' 0 C--O 1.269 2.104 0 N-CA-C 106.343 -1.725 . . . . 32.539999999999999 106.343 168.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 32.8 mt -98.78 144.69 27.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 123.875 0.734 . . . . 37.600000000000001 109.111 -172.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 83.4 p -85.28 -5.41 59.32 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 118.401 -1.32 . . . . 42.740000000000002 111.924 -172.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.09 142.56 9.37 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.014 1.388 . . . . 40.5 114.056 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -80.26 124.14 28.57 Favored 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 124.563 1.145 . . . . 32.810000000000002 111.859 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -81.94 131.15 35.25 Favored 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 107.187 -1.412 . . . . 35.990000000000002 107.187 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -123.31 153.05 40.79 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 107.727 -1.212 . . . . 31.800000000000001 107.727 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.35 -177.26 35.23 Favored Glycine 0 N--CA 1.475 1.29 0 N-CA-C 108.433 -1.867 . . . . 32.039999999999999 108.433 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.8 mt -102.66 134.55 45.85 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.035 0.918 . . . . 34.359999999999999 108.899 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -56.22 -35.66 67.59 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 114.786 -1.097 . . . . 74.129999999999995 113.671 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -37.91 -43.18 0.67 Allowed 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 125.817 1.647 . . . . 57.109999999999999 114.785 167.536 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -70.86 2.03 4.78 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.496 1.295 . . . . 69.909999999999997 114.496 -171.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.926 0.713 . . . . 76.510000000000005 112.926 -173.735 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' I3C . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.632 ' O ' ' NH1' ' A' ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 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 . . . . . 0.56 ' O ' ' NZ ' ' A' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . 0.458 ' O ' ' CG ' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 239' ' ' HOH . 6.1 pttm . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 114.226 1.195 . . . . 67.670000000000002 114.226 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.85 ' HG3' ' O ' ' A' ' 224' ' ' HOH . 0.0 OUTLIER -103.1 2.95 35.38 Favored 'General case' 0 CA--C 1.494 -1.203 0 C-N-CA 125.408 1.483 . . . . 80.709999999999994 111.303 -166.275 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . 0.416 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 59.9 m-85 -118.34 131.26 56.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.441 -0.948 . . . . 62.149999999999999 108.441 -177.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . 0.476 ' OG ' ' HG3' ' A' ' 9' ' ' GLU . 89.1 p -73.69 159.31 33.19 Favored 'General case' 0 C--O 1.268 2.067 0 N-CA-C 106.896 -1.52 . . . . 42.469999999999999 106.896 164.383 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -58.43 -35.34 71.95 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-N 114.546 -1.206 . . . . 48.32 112.545 173.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.08 -46.7 87.61 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 118.793 -1.163 . . . . 78.090000000000003 113.145 172.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' HG3' ' OG ' ' A' ' 6' ' ' SER . 41.6 mt-10 -59.15 -48.86 80.07 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.969 0.793 . . . . 69.010000000000005 110.569 176.246 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.49 -35.46 70.22 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.023 -0.535 . . . . 44.18 110.874 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.35 -19.1 64.62 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 121.41 -0.806 . . . . 75.239999999999995 112.228 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.45 -15.21 36.01 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.784 1.233 . . . . 77.640000000000001 111.317 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 88.4 mtp -89.29 154.88 19.75 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 114.816 1.413 . . . . 62.920000000000002 114.816 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 135.78 55.75 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 114.327 -1.306 . . . . 50.630000000000003 107.986 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.3 mt -50.62 -39.32 49.9 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.7 -0.852 . . . . 42.880000000000003 108.7 177.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.02 -32.16 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.878 0 N-CA-C 115.094 1.516 . . . . 39.880000000000003 115.094 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -78.58 -29.71 46.31 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 118.842 -1.143 . . . . 47.479999999999997 111.005 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.91 -42.02 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 122.358 1.075 . . . . 40.799999999999997 108.669 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.82 99.45 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.451 -0.78 . . . . 32.710000000000001 109.986 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 79.5 t60 -59.37 -44.57 92.7 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 118.979 -1.088 . . . . 53.969999999999999 108.983 179.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB3' ' HE3' ' A' ' 3' ' ' LYS . 68.2 mm-40 -61.54 -39.22 90.3 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 119.268 -0.973 . . . . 65.760000000000005 111.648 177.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.07 -42.36 99.66 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.601 0.963 . . . . 42.039999999999999 113.601 177.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.54 -37.43 87.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.512 0.672 . . . . 39.920000000000002 111.199 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -65.83 -33.13 75.14 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 118.892 -1.123 . . . . 66.549999999999997 111.42 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -87.82 -25.93 23.08 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 117.197 2.295 . . . . 82.790000000000006 117.197 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -73.74 -38.69 64.68 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.549 0.944 . . . . 103.31999999999999 113.549 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 57.84 22.96 9.16 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.838 1.051 . . . . 81.409999999999997 113.838 -173.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -143.19 153.9 60.44 Favored Pre-proline 0 N--CA 1.482 1.16 0 CA-C-N 119.059 0.845 . . . . 77.609999999999999 110.213 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.22 146.27 40.29 Favored 'Trans proline' 0 CA--C 1.497 -1.328 0 C-N-CA 121.558 1.505 . . . . 33.240000000000002 113.334 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -139.98 130.11 13.93 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 105.251 -2.129 . . . . 39.130000000000003 105.251 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -71.2 153.44 62.17 Favored 'Trans proline' 0 N--CA 1.427 -2.431 0 O-C-N 122.749 0.868 . . . . 32.920000000000002 111.489 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -53.93 -47.02 71.65 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 125.037 1.46 . . . . 32.789999999999999 114.22 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -63.26 -31.4 72.54 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.368 1.248 . . . . 40.219999999999999 114.368 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.62 -39.7 64.35 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.761 1.022 . . . . 64.349999999999994 113.761 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -56.97 -44.54 82.74 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 124.106 0.962 . . . . 38.100000000000001 110.392 169.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.83 -43.91 97.64 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.432 -0.907 . . . . 41.109999999999999 112.405 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.63 -49.54 77.12 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 112.92 0.711 . . . . 44.119999999999997 112.92 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.97 -45.31 90.86 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 116.767 2.136 . . . . 72.129999999999995 116.767 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.4 -43.83 98.66 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-O 121.813 0.816 . . . . 36.130000000000003 111.456 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.53 77.03 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.557 -0.747 . . . . 35.719999999999999 110.661 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -64.15 -42.62 96.71 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 112.397 0.517 . . . . 46.810000000000002 112.397 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.2 -33.06 71.7 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.638 0.607 . . . . 41.57 112.638 172.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -86.71 -0.36 56.15 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 120.991 -1.068 . . . . 43.030000000000001 113.447 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.0 19.9 71.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 123.785 0.707 . . . . 49.600000000000001 112.224 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.77 177.62 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 117.24 0.52 . . . . 42.32 110.686 -175.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -99.44 156.8 16.83 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.402 -0.962 . . . . 67.719999999999999 108.402 168.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -68.61 -33.79 74.65 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 117.451 -1.7 . . . . 62.390000000000001 109.894 -167.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -56.77 -24.67 51.82 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.072 -1.051 . . . . 47.579999999999998 113.052 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -74.92 -14.7 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.846 -1.159 . . . . 49.759999999999998 113.45 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 52' ' ' ASP . 64.7 mt -76.09 -26.36 56.39 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.342 -0.543 . . . . 63.590000000000003 111.01 176.159 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 6.0 -61.13 0.0 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 116.664 1.426 . . . . 68.75 116.664 -178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-20 -59.69 -19.25 48.41 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 119.809 3.262 . . . . 102.79000000000001 119.809 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -115.74 2.59 13.7 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 80.790000000000006 111.58 -169.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.8 mm -65.58 -42.58 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.114 -0.698 . . . . 61.259999999999998 109.114 -175.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.74 -45.84 64.12 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.022 -0.536 . . . . 61.340000000000003 112.33 -175.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -54.5 -38.41 66.45 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.007 -1.077 . . . . 84.890000000000001 109.031 172.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.01 -48.85 64.58 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 124.126 1.917 . . . . 41.299999999999997 111.081 -172.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.19 -44.41 88.06 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 112.343 -2.208 . . . . 52.619999999999997 109.529 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . 0.555 ' O ' HG12 ' A' ' 63' ' ' ILE . 18.4 m -61.83 -46.92 87.38 Favored 'General case' 0 CA--C 1.45 -2.891 0 CA-C-O 121.3 0.571 . . . . 51.979999999999997 111.057 178.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.42 -40.67 97.31 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 117.365 -1.734 . . . . 51.670000000000002 114.719 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.47 -41.78 77.13 Favored 'General case' 0 C--O 1.26 1.635 0 C-N-CA 119.135 -1.026 . . . . 31.149999999999999 110.713 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -64.9 -41.5 95.54 Favored 'General case' 0 C--O 1.269 2.115 0 O-C-N 124.352 1.033 . . . . 38.640000000000001 113.647 178.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 59' ' ' THR . 6.3 mm -81.7 -34.05 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.468 -2.202 0 CA-C-O 118.278 -0.868 . . . . 48.189999999999998 110.601 -172.997 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.07 132.54 35.11 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 118.536 -1.266 . . . . 47.520000000000003 108.526 -173.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.78 6.58 73.51 Favored Glycine 0 CA--C 1.476 -2.393 0 C-N-CA 119.105 -1.521 . . . . 37.810000000000002 111.623 -177.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 20' ' ' HIS . 84.4 mtm180 -69.01 -22.33 64.08 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 116.316 -2.154 . . . . 38.609999999999999 113.517 167.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.26 144.13 43.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 115.069 1.507 . . . . 41.380000000000003 115.069 -170.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.8 mt -116.28 137.07 52.45 Favored 'General case' 0 C--O 1.277 2.536 0 CA-C-N 115.252 -0.885 . . . . 31.93 109.321 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.58 117.19 21.76 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 105.563 -2.014 . . . . 31.48 105.563 163.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 ' OH ' ' B' ' 58' ' ' TYR . 21.4 mt -100.86 155.14 18.11 Favored 'General case' 0 C--O 1.271 2.225 0 CA-C-O 122.406 1.098 . . . . 34.640000000000001 109.838 -179.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' ' OG ' ' A' ' 71' ' ' SER . 49.1 m -102.22 96.34 6.91 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.622 -1.251 . . . . 44.159999999999997 107.622 173.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -140.1 150.35 44.2 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 101.024 -3.695 . . . . 40.380000000000003 101.024 168.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -100.18 126.76 46.49 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.488 0.492 . . . . 30.989999999999998 110.653 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.1 m -81.27 138.87 35.7 Favored 'General case' 0 C--O 1.279 2.648 0 O-C-N 123.865 0.728 . . . . 31.289999999999999 111.858 166.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -126.71 145.98 50.38 Favored 'General case' 0 C--O 1.256 1.397 0 CA-C-N 114.545 -1.207 . . . . 27.41 108.869 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.6 -167.23 13.53 Favored Glycine 0 C--O 1.208 -1.504 0 C-N-CA 118.53 -1.795 . . . . 28.789999999999999 110.583 165.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -100.64 131.48 46.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.436 -0.95 . . . . 38.649999999999999 108.436 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -53.88 -43.18 69.38 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.373 1.083 . . . . 47.380000000000003 111.847 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 236' ' ' HOH . 5.9 p -52.58 -18.05 1.56 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.87 1.063 . . . . 53.100000000000001 113.87 179.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -80.36 2.1 26.24 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 117.843 2.535 . . . . 65.370000000000005 117.843 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 116.105 1.891 . . . . 60.509999999999998 116.105 -167.032 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.568 ' HG2' ' H ' ' B' ' 4' ' ' GLN . 33.3 ttmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 122.552 1.168 . . . . 67.090000000000003 113.622 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.568 ' H ' ' HG2' ' B' ' 3' ' ' LYS . 5.5 pt20 -103.52 7.44 37.78 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.153 -1.385 . . . . 66.060000000000002 109.793 -166.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' TYR . . . . . 0.409 ' CD1' ' HE1' ' B' ' 13' ' ' MET . 83.1 m-85 -118.88 142.99 47.25 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.695 -1.202 . . . . 67.560000000000002 110.498 179.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -88.21 163.09 16.31 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 104.029 -2.582 . . . . 46.93 104.029 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.16 -31.12 68.7 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 120.168 -0.613 . . . . 63.960000000000001 110.773 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -67.92 -37.36 81.58 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.609 -0.436 . . . . 73.739999999999995 111.002 -177.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 53.6 mt-10 -69.19 -43.78 73.48 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.797 0.332 . . . . 71.340000000000003 111.786 174.502 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.96 -41.91 83.9 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.433 -0.581 . . . . 51.609999999999999 109.433 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.28 -20.54 19.08 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 113.858 1.059 . . . . 97.719999999999999 113.858 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 9' ' ' GLU . 6.5 pt-20 -108.95 17.22 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.836 -0.54 . . . . 83.159999999999997 112.213 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' MET . . . . . 0.409 ' HE1' ' CD1' ' B' ' 5' ' ' TYR . 55.5 mtt -105.46 155.37 19.21 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 119.853 -0.739 . . . . 55.990000000000002 110.668 174.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 152.9 44.78 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.792 -1.559 . . . . 46.969999999999999 106.792 170.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -32.71 70.21 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.481 0.657 . . . . 54.57 111.08 180.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.3 -34.0 56.6 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 118.314 -1.355 . . . . 38.170000000000002 111.892 -173.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' B' ' 220' ' ' HOH . 56.5 mm-40 -67.9 -37.34 81.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.935 -1.03 . . . . 70.200000000000003 111.412 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -64.49 -45.72 94.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.858 0 N-CA-C 109.223 -0.658 . . . . 38.57 109.223 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.72 84.97 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 109.725 -0.472 . . . . 33.409999999999997 109.725 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' B' ' 224' ' ' HOH . 40.4 t60 -58.27 -42.33 86.29 Favored 'General case' 0 C--O 1.278 2.579 0 C-N-CA 118.395 -1.322 . . . . 36.439999999999998 113.222 177.211 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -67.37 -33.96 76.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 117.903 -1.519 . . . . 63.850000000000001 110.471 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.52 -45.21 84.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 118.764 -1.174 . . . . 41.609999999999999 108.338 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -63.81 -40.01 95.62 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 121.339 0.59 . . . . 40.560000000000002 112.449 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.75 -39.36 93.5 Favored 'General case' 0 C--O 1.196 -1.737 0 C-N-CA 118.864 -1.134 . . . . 63.32 108.339 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.17 -47.98 82.12 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-O 118.237 -0.887 . . . . 82.319999999999993 112.711 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -102.53 -18.41 15.31 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 117.238 2.31 . . . . 72.609999999999999 117.238 -170.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.737 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 4.4 tptp 56.38 35.22 25.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 116.539 2.052 . . . . 68.540000000000006 116.539 173.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -145.54 156.97 52.86 Favored Pre-proline 0 C--N 1.307 -1.281 0 C-N-CA 117.901 -1.519 . . . . 66.980000000000004 110.867 167.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.62 146.69 96.65 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 O-C-N 123.68 1.358 . . . . 38.289999999999999 113.181 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . 0.613 HG12 ' O ' ' B' ' 31' ' ' PRO . 95.0 t -132.94 138.3 31.56 Favored Pre-proline 0 CA--C 1.5 -0.946 0 O-C-N 125.374 1.671 . . . . 49.210000000000001 107.205 -175.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' PRO . . . . . 0.613 ' O ' HG12 ' B' ' 30' ' ' VAL . 20.1 Cg_exo -61.98 147.96 94.1 Favored 'Trans proline' 0 CA--C 1.515 -0.435 0 O-C-N 122.739 0.863 . . . . 33.420000000000002 113.096 162.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.37 -48.02 65.84 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.187 1.18 . . . . 38.859999999999999 114.187 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -59.2 -33.41 70.93 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 114.039 1.126 . . . . 62.350000000000001 114.039 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.34 -37.39 63.56 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 119.165 -1.014 . . . . 67.400000000000006 108.659 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.67 -49.34 76.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 108.431 -0.951 . . . . 46.460000000000001 108.431 173.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.63 -46.54 80.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 120.107 -0.637 . . . . 51.299999999999997 109.779 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ASN . . . . . 0.423 ' OD1' ' HD3' ' B' ' 47' ' ' LYS . 89.4 m-20 -57.08 -40.55 77.17 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 123.779 0.674 . . . . 56.640000000000001 109.86 -176.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -78.61 -33.34 47.49 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.987 -0.685 . . . . 77.430000000000007 110.504 -173.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.5 mt -67.69 -45.06 85.46 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 112.465 0.543 . . . . 49.549999999999997 112.465 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.37 95.41 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.355 -0.839 . . . . 66.040000000000006 112.116 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -62.21 -46.38 89.14 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 112.245 0.461 . . . . 64.049999999999997 112.245 174.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.38 -25.19 66.67 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 111.938 0.347 . . . . 55.649999999999999 111.938 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -91.19 2.23 56.51 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 119.629 -0.828 . . . . 51.32 111.16 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.18 18.48 57.88 Favored Glycine 0 CA--C 1.509 -0.302 0 C-N-CA 123.978 0.799 . . . . 71.230000000000004 113.671 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 m -107.24 175.44 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 108.765 -0.828 . . . . 61.460000000000001 108.765 177.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -96.1 147.32 23.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.578 -1.192 . . . . 87.930000000000007 108.339 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LYS . . . . . 0.423 ' HD3' ' OD1' ' B' ' 37' ' ' ASN . 21.6 ttpp -46.66 -44.81 18.79 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.047 0.927 . . . . 86.969999999999999 110.735 -171.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -54.45 -34.59 61.76 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.043 -1.435 . . . . 90.269999999999996 112.478 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -62.89 -28.76 70.27 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.529 -0.868 . . . . 80.489999999999995 111.728 -169.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' B' ' 52' ' ' ASP . 20.5 mt -69.16 -52.67 25.75 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-O 121.382 0.611 . . . . 75.560000000000002 111.483 -179.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.96 -76.53 0.0 OUTLIER Glycine 0 C--O 1.221 -0.664 0 CA-C-N 114.758 -1.11 . . . . 78.340000000000003 114.202 174.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' B' ' 50' ' ' LEU . 22.2 m-20 -65.25 -26.63 68.18 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 112.711 0.634 . . . . 110.04000000000001 112.711 -172.448 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -90.3 -13.89 34.31 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.574 0.953 . . . . 76.719999999999999 113.574 -173.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.68 -45.41 98.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.125 -0.943 . . . . 56.719999999999999 109.884 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.37 73.84 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.865 -0.734 . . . . 51.039999999999999 109.763 -175.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -78.17 -34.62 49.53 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 109.666 -0.494 . . . . 96.579999999999998 109.666 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.74 -55.47 34.44 Favored 'General case' 0 N--CA 1.425 -1.718 0 O-C-N 125.358 1.661 . . . . 39.600000000000001 108.952 171.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' TYR . . . . . 0.533 ' OH ' HD23 ' A' ' 70' ' ' LEU . 14.5 t80 -47.12 -46.87 23.34 Favored 'General case' 0 N--CA 1.518 2.933 0 CA-C-N 120.123 1.329 . . . . 32.75 109.604 -179.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.44 -32.03 65.94 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.275 -1.516 . . . . 46.969999999999999 111.718 176.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.22 -39.78 82.26 Favored 'General case' 0 CA--C 1.457 -2.609 0 O-C-N 120.516 -1.365 . . . . 41.200000000000003 111.188 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.42 -38.79 74.93 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 124.224 0.953 . . . . 31.100000000000001 110.99 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -70.83 -40.9 72.16 Favored 'General case' 0 C--O 1.173 -2.954 0 CA-C-O 121.965 0.888 . . . . 34.5 113.366 -179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mt -83.94 -29.26 7.38 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 124.08 0.952 . . . . 43.619999999999997 113.531 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -81.35 120.45 24.96 Favored 'General case' 0 CA--C 1.468 -2.186 0 N-CA-C 105.483 -2.043 . . . . 35.25 105.483 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.87 -5.68 26.72 Favored Glycine 0 C--O 1.21 -1.402 0 N-CA-C 120.742 3.057 . . . . 33.920000000000002 120.742 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -76.09 -15.73 60.05 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 119.763 -2.022 . . . . 39.619999999999997 112.492 175.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -111.18 136.21 50.57 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.448 0.699 . . . . 37.189999999999998 110.509 -170.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.25 133.74 52.93 Favored 'General case' 0 C--O 1.266 1.973 0 O-C-N 124.595 1.184 . . . . 45.850000000000001 110.113 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.78 118.3 22.76 Favored 'General case' 0 C--O 1.269 2.104 0 N-CA-C 106.343 -1.725 . . . . 32.539999999999999 106.343 168.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 32.8 mt -98.78 144.69 27.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 123.875 0.734 . . . . 37.600000000000001 109.111 -172.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 83.4 p -85.28 -5.41 59.32 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 118.401 -1.32 . . . . 42.740000000000002 111.924 -172.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.09 142.56 9.37 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.014 1.388 . . . . 40.5 114.056 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -80.26 124.14 28.57 Favored 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 124.563 1.145 . . . . 32.810000000000002 111.859 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -81.94 131.15 35.25 Favored 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 107.187 -1.412 . . . . 35.990000000000002 107.187 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -123.31 153.05 40.79 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 107.727 -1.212 . . . . 31.800000000000001 107.727 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.35 -177.26 35.23 Favored Glycine 0 N--CA 1.475 1.29 0 N-CA-C 108.433 -1.867 . . . . 32.039999999999999 108.433 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.8 mt -102.66 134.55 45.85 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.035 0.918 . . . . 34.359999999999999 108.899 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -56.22 -35.66 67.59 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 114.786 -1.097 . . . . 74.129999999999995 113.671 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -37.91 -43.18 0.67 Allowed 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 125.817 1.647 . . . . 57.109999999999999 114.785 167.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -70.86 2.03 4.78 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.496 1.295 . . . . 69.909999999999997 114.496 -171.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.926 0.713 . . . . 76.510000000000005 112.926 -173.735 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' I3C . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.85 ' O ' ' HG3' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . 0.444 ' O ' ' HB2' ' A' ' 79' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.533 ' O ' ' HG2' ' A' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . 0.458 ' O ' ' CG ' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . 0.562 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 224' ' ' HOH . . . . . 0.455 ' O ' ' HD2' ' B' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 239' ' ' HOH . 6.1 pttm . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 114.226 1.195 . . . . 67.670000000000002 114.226 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.85 ' HG3' ' O ' ' A' ' 224' ' ' HOH . 0.8 OUTLIER -103.1 2.95 35.38 Favored 'General case' 0 CA--C 1.494 -1.203 0 C-N-CA 125.408 1.483 . . . . 80.709999999999994 111.303 -166.275 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.416 ' CD2' ' HG2' ' A' ' 4' ' ' GLN . 59.9 m-85 -118.34 131.26 56.33 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.441 -0.948 . . . . 62.149999999999999 108.441 -177.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . 0.476 ' OG ' ' HG3' ' A' ' 9' ' ' GLU . 89.1 p -73.69 159.31 33.19 Favored 'General case' 0 C--O 1.268 2.067 0 N-CA-C 106.896 -1.52 . . . . 42.469999999999999 106.896 164.383 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -58.43 -35.34 71.95 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-N 114.546 -1.206 . . . . 48.32 112.545 173.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.08 -46.7 87.61 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 118.793 -1.163 . . . . 78.090000000000003 113.145 172.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.476 ' HG3' ' OG ' ' A' ' 6' ' ' SER . 41.6 mt-10 -59.15 -48.86 80.07 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 123.969 0.793 . . . . 69.010000000000005 110.569 176.246 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.2 mt -57.49 -35.46 70.22 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.023 -0.535 . . . . 44.18 110.874 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -68.35 -19.1 64.62 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 121.41 -0.806 . . . . 75.239999999999995 112.228 179.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -88.45 -15.21 36.01 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.784 1.233 . . . . 77.640000000000001 111.317 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 88.4 mtp -89.29 154.88 19.75 Favored 'General case' 0 C--O 1.249 1.041 0 N-CA-C 114.816 1.413 . . . . 62.920000000000002 114.816 -174.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.31 135.78 55.75 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-N 114.327 -1.306 . . . . 50.630000000000003 107.986 168.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.3 mt -50.62 -39.32 49.9 Favored 'General case' 0 C--O 1.192 -1.962 0 N-CA-C 108.7 -0.852 . . . . 42.880000000000003 108.7 177.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.4 p -59.02 -32.16 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.517 2.878 0 N-CA-C 115.094 1.516 . . . . 39.880000000000003 115.094 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -78.58 -29.71 46.31 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 118.842 -1.143 . . . . 47.479999999999997 111.005 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.2 mt -66.91 -42.02 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-O 122.358 1.075 . . . . 40.799999999999997 108.669 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.82 99.45 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 121.451 -0.78 . . . . 32.710000000000001 109.986 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' CE1' ' HD2' ' A' ' 66' ' ' ARG . 79.5 t60 -59.37 -44.57 92.7 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 118.979 -1.088 . . . . 53.969999999999999 108.983 179.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' HB3' ' HE3' ' A' ' 3' ' ' LYS . 68.2 mm-40 -61.54 -39.22 90.3 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 119.268 -0.973 . . . . 65.760000000000005 111.648 177.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.07 -42.36 99.66 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.601 0.963 . . . . 42.039999999999999 113.601 177.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.54 -37.43 87.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.512 0.672 . . . . 39.920000000000002 111.199 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -65.83 -33.13 75.14 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 118.892 -1.123 . . . . 66.549999999999997 111.42 -178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -87.82 -25.93 23.08 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 117.197 2.295 . . . . 82.790000000000006 117.197 173.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -73.74 -38.69 64.68 Favored 'General case' 0 N--CA 1.488 1.47 0 N-CA-C 113.549 0.944 . . . . 103.31999999999999 113.549 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt 57.84 22.96 9.16 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 113.838 1.051 . . . . 81.409999999999997 113.838 -173.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -143.19 153.9 60.44 Favored Pre-proline 0 N--CA 1.482 1.16 0 CA-C-N 119.059 0.845 . . . . 77.609999999999999 110.213 176.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -53.22 146.27 40.29 Favored 'Trans proline' 0 CA--C 1.497 -1.328 0 C-N-CA 121.558 1.505 . . . . 33.240000000000002 113.334 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.8 t -139.98 130.11 13.93 Favored Pre-proline 0 C--O 1.241 0.643 0 N-CA-C 105.251 -2.129 . . . . 39.130000000000003 105.251 -176.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -71.2 153.44 62.17 Favored 'Trans proline' 0 N--CA 1.427 -2.431 0 O-C-N 122.749 0.868 . . . . 32.920000000000002 111.489 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -53.93 -47.02 71.65 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 125.037 1.46 . . . . 32.789999999999999 114.22 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -63.26 -31.4 72.54 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.368 1.248 . . . . 40.219999999999999 114.368 178.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -73.62 -39.7 64.35 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 113.761 1.022 . . . . 64.349999999999994 113.761 175.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 mt -56.97 -44.54 82.74 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 124.106 0.962 . . . . 38.100000000000001 110.392 169.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.83 -43.91 97.64 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.432 -0.907 . . . . 41.109999999999999 112.405 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -60.63 -49.54 77.12 Favored 'General case' 0 C--O 1.256 1.423 0 N-CA-C 112.92 0.711 . . . . 44.119999999999997 112.92 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -58.97 -45.31 90.86 Favored 'General case' 0 C--O 1.261 1.66 0 N-CA-C 116.767 2.136 . . . . 72.129999999999995 116.767 175.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.0 mt -63.4 -43.83 98.66 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-O 121.813 0.816 . . . . 36.130000000000003 111.456 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.82 -47.53 77.03 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.557 -0.747 . . . . 35.719999999999999 110.661 175.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.4 t -64.15 -42.62 96.71 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 112.397 0.517 . . . . 46.810000000000002 112.397 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 69.4 mt -60.2 -33.06 71.7 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.638 0.607 . . . . 41.57 112.638 172.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -86.71 -0.36 56.15 Favored 'General case' 0 CA--C 1.574 1.895 0 O-C-N 120.991 -1.068 . . . . 43.030000000000001 113.447 -179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.0 19.9 71.54 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 123.785 0.707 . . . . 49.600000000000001 112.224 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.4 m -125.77 177.62 4.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 CA-C-N 117.24 0.52 . . . . 42.32 110.686 -175.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -99.44 156.8 16.83 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 108.402 -0.962 . . . . 67.719999999999999 108.402 168.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 pttt -68.61 -33.79 74.65 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 117.451 -1.7 . . . . 62.390000000000001 109.894 -167.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.5 mp0 -56.77 -24.67 51.82 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 119.072 -1.051 . . . . 47.579999999999998 113.052 175.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -74.92 -14.7 60.68 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.846 -1.159 . . . . 49.759999999999998 113.45 178.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 52' ' ' ASP . 64.7 mt -76.09 -26.36 56.39 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.342 -0.543 . . . . 63.590000000000003 111.01 176.159 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 6.0 -61.13 0.0 OUTLIER Glycine 0 N--CA 1.474 1.184 0 N-CA-C 116.664 1.426 . . . . 68.75 116.664 -178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.5 m-20 -59.69 -19.25 48.41 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 119.809 3.262 . . . . 102.79000000000001 119.809 177.857 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -115.74 2.59 13.7 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 119.968 -0.693 . . . . 80.790000000000006 111.58 -169.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.8 mm -65.58 -42.58 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 N-CA-C 109.114 -0.698 . . . . 61.259999999999998 109.114 -175.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.74 -45.84 64.12 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-N 116.022 -0.536 . . . . 61.340000000000003 112.33 -175.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -54.5 -38.41 66.45 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 119.007 -1.077 . . . . 84.890000000000001 109.031 172.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -68.01 -48.85 64.58 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-O 124.126 1.917 . . . . 41.299999999999997 111.081 -172.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -58.19 -44.41 88.06 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 112.343 -2.208 . . . . 52.619999999999997 109.529 178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . 0.555 ' O ' HG12 ' A' ' 63' ' ' ILE . 18.4 m -61.83 -46.92 87.38 Favored 'General case' 0 CA--C 1.45 -2.891 0 CA-C-O 121.3 0.571 . . . . 51.979999999999997 111.057 178.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -62.42 -40.67 97.31 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 117.365 -1.734 . . . . 51.670000000000002 114.719 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.47 -41.78 77.13 Favored 'General case' 0 C--O 1.26 1.635 0 C-N-CA 119.135 -1.026 . . . . 31.149999999999999 110.713 175.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -64.9 -41.5 95.54 Favored 'General case' 0 C--O 1.269 2.115 0 O-C-N 124.352 1.033 . . . . 38.640000000000001 113.647 178.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 59' ' ' THR . 6.3 mm -81.7 -34.05 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.468 -2.202 0 CA-C-O 118.278 -0.868 . . . . 48.189999999999998 110.601 -172.997 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -83.07 132.54 35.11 Favored 'General case' 0 C--O 1.248 1.002 0 C-N-CA 118.536 -1.266 . . . . 47.520000000000003 108.526 -173.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.78 6.58 73.51 Favored Glycine 0 CA--C 1.476 -2.393 0 C-N-CA 119.105 -1.521 . . . . 37.810000000000002 111.623 -177.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 ' HD2' ' CE1' ' A' ' 20' ' ' HIS . 84.4 mtm180 -69.01 -22.33 64.08 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 116.316 -2.154 . . . . 38.609999999999999 113.517 167.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -113.26 144.13 43.24 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 115.069 1.507 . . . . 41.380000000000003 115.069 -170.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.8 mt -116.28 137.07 52.45 Favored 'General case' 0 C--O 1.277 2.536 0 CA-C-N 115.252 -0.885 . . . . 31.93 109.321 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.436 ' H ' ' ND2' ' B' ' 62' ' ' ASN . . . -81.58 117.19 21.76 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 105.563 -2.014 . . . . 31.48 105.563 163.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.533 HD23 ' OH ' ' B' ' 58' ' ' TYR . 21.4 mt -100.86 155.14 18.11 Favored 'General case' 0 C--O 1.271 2.225 0 CA-C-O 122.406 1.098 . . . . 34.640000000000001 109.838 -179.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . 0.538 ' O ' ' OG ' ' A' ' 71' ' ' SER . 49.1 m -102.22 96.34 6.91 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.622 -1.251 . . . . 44.159999999999997 107.622 173.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -140.1 150.35 44.2 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 101.024 -3.695 . . . . 40.380000000000003 101.024 168.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -100.18 126.76 46.49 Favored 'General case' 0 CA--C 1.495 -1.163 0 O-C-N 123.488 0.492 . . . . 30.989999999999998 110.653 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.1 m -81.27 138.87 35.7 Favored 'General case' 0 C--O 1.279 2.648 0 O-C-N 123.865 0.728 . . . . 31.289999999999999 111.858 166.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -126.71 145.98 50.38 Favored 'General case' 0 C--O 1.256 1.397 0 CA-C-N 114.545 -1.207 . . . . 27.41 108.869 -177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -148.6 -167.23 13.53 Favored Glycine 0 C--O 1.208 -1.504 0 C-N-CA 118.53 -1.795 . . . . 28.789999999999999 110.583 165.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -100.64 131.48 46.52 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.436 -0.95 . . . . 38.649999999999999 108.436 -175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -53.88 -43.18 69.38 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.373 1.083 . . . . 47.380000000000003 111.847 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . 0.444 ' HB2' ' O ' ' A' ' 236' ' ' HOH . 5.9 p -52.58 -18.05 1.56 Allowed 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.87 1.063 . . . . 53.100000000000001 113.87 179.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 49.5 m0 -80.36 2.1 26.24 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 117.843 2.535 . . . . 65.370000000000005 117.843 -179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 . . . . . 0 C--O 1.214 -0.779 0 N-CA-C 116.105 1.891 . . . . 60.509999999999998 116.105 -167.032 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.568 ' HG2' ' H ' ' B' ' 4' ' ' GLN . 33.3 ttmt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 122.552 1.168 . . . . 67.090000000000003 113.622 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.568 ' H ' ' HG2' ' B' ' 3' ' ' LYS . 5.5 pt20 -103.52 7.44 37.78 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 114.153 -1.385 . . . . 66.060000000000002 109.793 -166.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' TYR . . . . . 0.409 ' CD1' ' HE1' ' B' ' 13' ' ' MET . 83.1 m-85 -118.88 142.99 47.25 Favored 'General case' 0 C--N 1.312 -1.025 0 C-N-CA 118.695 -1.202 . . . . 67.560000000000002 110.498 179.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 92.4 p -88.21 163.09 16.31 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 104.029 -2.582 . . . . 46.93 104.029 176.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -59.16 -31.12 68.7 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 120.168 -0.613 . . . . 63.960000000000001 110.773 173.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -67.92 -37.36 81.58 Favored 'General case' 0 C--O 1.221 -0.424 0 C-N-CA 120.609 -0.436 . . . . 73.739999999999995 111.002 -177.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.423 ' O ' ' HG2' ' B' ' 12' ' ' GLU . 53.6 mt-10 -69.19 -43.78 73.48 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.797 0.332 . . . . 71.340000000000003 111.786 174.502 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt -57.96 -41.91 83.9 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 109.433 -0.581 . . . . 51.609999999999999 109.433 178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.28 -20.54 19.08 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 113.858 1.059 . . . . 97.719999999999999 113.858 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' B' ' 9' ' ' GLU . 6.5 pt-20 -108.95 17.22 21.98 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 121.836 -0.54 . . . . 83.159999999999997 112.213 179.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' MET . . . . . 0.409 ' HE1' ' CD1' ' B' ' 5' ' ' TYR . 55.5 mtt -105.46 155.37 19.21 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 119.853 -0.739 . . . . 55.990000000000002 110.668 174.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.23 152.9 44.78 Favored 'General case' 0 C--O 1.216 -0.686 0 N-CA-C 106.792 -1.559 . . . . 46.969999999999999 106.792 170.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -32.71 70.21 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 121.481 0.657 . . . . 54.57 111.08 180.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 11.6 p -70.3 -34.0 56.6 Favored 'Isoleucine or valine' 0 C--O 1.258 1.515 0 C-N-CA 118.314 -1.355 . . . . 38.170000000000002 111.892 -173.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.562 ' HG3' ' O ' ' B' ' 220' ' ' HOH . 56.5 mm-40 -67.9 -37.34 81.61 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 114.935 -1.03 . . . . 70.200000000000003 111.412 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 58.4 mt -64.49 -45.72 94.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.858 0 N-CA-C 109.223 -0.658 . . . . 38.57 109.223 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.28 -41.72 84.97 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 109.725 -0.472 . . . . 33.409999999999997 109.725 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HIS . . . . . 0.455 ' HD2' ' O ' ' B' ' 224' ' ' HOH . 40.4 t60 -58.27 -42.33 86.29 Favored 'General case' 0 C--O 1.278 2.579 0 C-N-CA 118.395 -1.322 . . . . 36.439999999999998 113.222 177.211 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -67.37 -33.96 76.31 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 117.903 -1.519 . . . . 63.850000000000001 110.471 178.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.0 mt -65.52 -45.21 84.37 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 118.764 -1.174 . . . . 41.609999999999999 108.338 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -63.81 -40.01 95.62 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 121.339 0.59 . . . . 40.560000000000002 112.449 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.75 -39.36 93.5 Favored 'General case' 0 C--O 1.196 -1.737 0 C-N-CA 118.864 -1.134 . . . . 63.32 108.339 177.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.17 -47.98 82.12 Favored 'General case' 0 C--O 1.194 -1.83 0 CA-C-O 118.237 -0.887 . . . . 82.319999999999993 112.711 175.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -102.53 -18.41 15.31 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 117.238 2.31 . . . . 72.609999999999999 117.238 -170.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.737 ' O ' ' HG3' ' B' ' 27' ' ' LYS . 4.4 tptp 56.38 35.22 25.53 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 116.539 2.052 . . . . 68.540000000000006 116.539 173.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 ptmm? -145.54 156.97 52.86 Favored Pre-proline 0 C--N 1.307 -1.281 0 C-N-CA 117.901 -1.519 . . . . 66.980000000000004 110.867 167.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.62 146.69 96.65 Favored 'Trans proline' 0 CA--C 1.508 -0.789 0 O-C-N 123.68 1.358 . . . . 38.289999999999999 113.181 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.613 HG12 ' O ' ' B' ' 31' ' ' PRO . 95.0 t -132.94 138.3 31.56 Favored Pre-proline 0 CA--C 1.5 -0.946 0 O-C-N 125.374 1.671 . . . . 49.210000000000001 107.205 -175.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' PRO . . . . . 0.613 ' O ' HG12 ' B' ' 30' ' ' VAL . 20.1 Cg_exo -61.98 147.96 94.1 Favored 'Trans proline' 0 CA--C 1.515 -0.435 0 O-C-N 122.739 0.863 . . . . 33.420000000000002 113.096 162.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -52.37 -48.02 65.84 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.187 1.18 . . . . 38.859999999999999 114.187 -178.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -59.2 -33.41 70.93 Favored 'General case' 0 C--O 1.255 1.377 0 N-CA-C 114.039 1.126 . . . . 62.350000000000001 114.039 176.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -74.34 -37.39 63.56 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 119.165 -1.014 . . . . 67.400000000000006 108.659 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 8.3 mt -57.67 -49.34 76.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 108.431 -0.951 . . . . 46.460000000000001 108.431 173.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 17.7 mt -56.63 -46.54 80.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 120.107 -0.637 . . . . 51.299999999999997 109.779 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.423 ' OD1' ' HD3' ' B' ' 47' ' ' LYS . 89.4 m-20 -57.08 -40.55 77.17 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 123.779 0.674 . . . . 56.640000000000001 109.86 -176.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -78.61 -33.34 47.49 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 119.987 -0.685 . . . . 77.430000000000007 110.504 -173.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 89.5 mt -67.69 -45.06 85.46 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 112.465 0.543 . . . . 49.549999999999997 112.465 177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.99 -40.37 95.41 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.355 -0.839 . . . . 66.040000000000006 112.116 177.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 5.9 t -62.21 -46.38 89.14 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 112.245 0.461 . . . . 64.049999999999997 112.245 174.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 31.7 mt -66.38 -25.19 66.67 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 111.938 0.347 . . . . 55.649999999999999 111.938 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.3 mt -91.19 2.23 56.51 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 119.629 -0.828 . . . . 51.32 111.16 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . 62.18 18.48 57.88 Favored Glycine 0 CA--C 1.509 -0.302 0 C-N-CA 123.978 0.799 . . . . 71.230000000000004 113.671 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 3.3 m -107.24 175.44 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 N-CA-C 108.765 -0.828 . . . . 61.460000000000001 108.765 177.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -96.1 147.32 23.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.578 -1.192 . . . . 87.930000000000007 108.339 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LYS . . . . . 0.423 ' HD3' ' OD1' ' B' ' 37' ' ' ASN . 21.6 ttpp -46.66 -44.81 18.79 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 122.047 0.927 . . . . 86.969999999999999 110.735 -171.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -54.45 -34.59 61.76 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 114.043 -1.435 . . . . 90.269999999999996 112.478 -179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -62.89 -28.76 70.27 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 119.529 -0.868 . . . . 80.489999999999995 111.728 -169.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.62 ' O ' ' N ' ' B' ' 52' ' ' ASP . 20.5 mt -69.16 -52.67 25.75 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-O 121.382 0.611 . . . . 75.560000000000002 111.483 -179.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.96 -76.53 0.0 OUTLIER Glycine 0 C--O 1.221 -0.664 0 CA-C-N 114.758 -1.11 . . . . 78.340000000000003 114.202 174.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.62 ' N ' ' O ' ' B' ' 50' ' ' LEU . 22.2 m-20 -65.25 -26.63 68.18 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 112.711 0.634 . . . . 110.04000000000001 112.711 -172.448 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -90.3 -13.89 34.31 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.574 0.953 . . . . 76.719999999999999 113.574 -173.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.68 -45.41 98.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.125 -0.943 . . . . 56.719999999999999 109.884 -176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.9 -32.37 73.84 Favored 'General case' 0 N--CA 1.441 -0.917 0 C-N-CA 119.865 -0.734 . . . . 51.039999999999999 109.763 -175.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 20.1 mm100 -78.17 -34.62 49.53 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 109.666 -0.494 . . . . 96.579999999999998 109.666 -177.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -57.74 -55.47 34.44 Favored 'General case' 0 N--CA 1.425 -1.718 0 O-C-N 125.358 1.661 . . . . 39.600000000000001 108.952 171.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' TYR . . . . . 0.533 ' OH ' HD23 ' A' ' 70' ' ' LEU . 14.5 t80 -47.12 -46.87 23.34 Favored 'General case' 0 N--CA 1.518 2.933 0 CA-C-N 120.123 1.329 . . . . 32.75 109.604 -179.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.44 -32.03 65.94 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.275 -1.516 . . . . 46.969999999999999 111.718 176.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -68.22 -39.78 82.26 Favored 'General case' 0 CA--C 1.457 -2.609 0 O-C-N 120.516 -1.365 . . . . 41.200000000000003 111.188 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 80.6 mt -57.42 -38.79 74.93 Favored 'General case' 0 C--O 1.249 1.048 0 O-C-N 124.224 0.953 . . . . 31.100000000000001 110.99 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.436 ' ND2' ' H ' ' A' ' 69' ' ' ALA . 10.9 m120 -70.83 -40.9 72.16 Favored 'General case' 0 C--O 1.173 -2.954 0 CA-C-O 121.965 0.888 . . . . 34.5 113.366 -179.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mt -83.94 -29.26 7.38 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.528 0 C-N-CA 124.08 0.952 . . . . 43.619999999999997 113.531 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -81.35 120.45 24.96 Favored 'General case' 0 CA--C 1.468 -2.186 0 N-CA-C 105.483 -2.043 . . . . 35.25 105.483 -175.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . -65.87 -5.68 26.72 Favored Glycine 0 C--O 1.21 -1.402 0 N-CA-C 120.742 3.057 . . . . 33.920000000000002 120.742 178.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -76.09 -15.73 60.05 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 119.763 -2.022 . . . . 39.619999999999997 112.492 175.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -111.18 136.21 50.57 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.448 0.699 . . . . 37.189999999999998 110.509 -170.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.25 133.74 52.93 Favored 'General case' 0 C--O 1.266 1.973 0 O-C-N 124.595 1.184 . . . . 45.850000000000001 110.113 174.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.78 118.3 22.76 Favored 'General case' 0 C--O 1.269 2.104 0 N-CA-C 106.343 -1.725 . . . . 32.539999999999999 106.343 168.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 32.8 mt -98.78 144.69 27.74 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 123.875 0.734 . . . . 37.600000000000001 109.111 -172.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' SER . . . . . . . . . . . . . 83.4 p -85.28 -5.41 59.32 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 118.401 -1.32 . . . . 42.740000000000002 111.924 -172.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.09 142.56 9.37 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-O 123.014 1.388 . . . . 40.5 114.056 -178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -80.26 124.14 28.57 Favored 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 124.563 1.145 . . . . 32.810000000000002 111.859 -179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 98.2 m -81.94 131.15 35.25 Favored 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 107.187 -1.412 . . . . 35.990000000000002 107.187 172.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -123.31 153.05 40.79 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 107.727 -1.212 . . . . 31.800000000000001 107.727 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.35 -177.26 35.23 Favored Glycine 0 N--CA 1.475 1.29 0 N-CA-C 108.433 -1.867 . . . . 32.039999999999999 108.433 179.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 72.8 mt -102.66 134.55 45.85 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 118.035 0.918 . . . . 34.359999999999999 108.899 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -56.22 -35.66 67.59 Favored 'General case' 0 C--O 1.245 0.849 0 CA-C-N 114.786 -1.097 . . . . 74.129999999999995 113.671 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -37.91 -43.18 0.67 Allowed 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 125.817 1.647 . . . . 57.109999999999999 114.785 167.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -70.86 2.03 4.78 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 114.496 1.295 . . . . 69.909999999999997 114.496 -171.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 112.926 0.713 . . . . 76.510000000000005 112.926 -173.735 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' I3C . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.85 ' O ' ' HG3' ' A' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . 0.444 ' O ' ' HB2' ' A' ' 79' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.533 ' O ' ' HG2' ' A' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . 0.458 ' O ' ' CG ' ' B' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . 0.562 ' O ' ' HG3' ' B' ' 17' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 224' ' ' HOH . . . . . 0.455 ' O ' ' HD2' ' B' ' 20' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_