data_5jls_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 5jls _Structure_validation_residue.Date_analyzed 2017-04-28 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 CA-C-O 119.336 -0.702 . . . . 139.21 112.809 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.6 p -70.21 148.26 48.82 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.67 -1.974 . . . . 110.74 105.67 166.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.52 -29.7 69.28 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 114.84 1.422 . . . . 119.14 114.84 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 59.3 mp0 -48.54 -56.26 8.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.263 -1.79 . . . . 105.08 109.468 170.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -47.11 86.9 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 124.733 1.271 . . . . 142.29 111.184 176.486 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -53.5 -38.1 63.37 Favored 'General case' 0 C--O 1.251 1.181 0 C-N-CA 119.265 -0.974 . . . . 120.43 111.426 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.88 -45.0 72.1 Favored 'General case' 0 CA--C 1.489 -1.377 0 O-C-N 123.903 0.752 . . . . 96.77 111.062 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.78 -35.45 81.11 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.735 -0.666 . . . . 100.44 109.923 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.5 m-20 -64.22 -49.27 72.6 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 113.96 1.096 . . . . 135.87 113.96 172.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.0 tp -51.29 -42.45 61.14 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.604 1.19 . . . . 90.52 110.024 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.77 -47.81 48.21 Favored 'Isoleucine or valine' 0 C--O 1.26 1.65 0 N-CA-C 108.269 -1.011 . . . . 89.22 108.269 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -50.92 -39.4 54.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.21 -1.359 . . . . 95.79 112.709 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.2 p -73.74 -43.04 60.26 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.404 -0.962 . . . . 99.97 108.404 177.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' THR . 49.7 mt -51.11 -43.3 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.774 0 C-N-CA 116.894 -1.922 . . . . 103.89 110.144 175.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.5 mt -74.77 -41.22 60.45 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 118.707 -1.197 . . . . 92.93 113.645 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.93 -30.48 56.1 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 114.62 -1.173 . . . . 100.68 110.991 -174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -69.21 -43.08 74.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 118.763 -0.637 . . . . 120.68 111.547 171.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.57 -58.98 6.22 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.377 -0.971 . . . . 118.05 108.377 177.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -43.67 -47.11 7.67 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.953 1.835 . . . . 118.92 115.953 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -100.35 -64.59 1.03 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.498 0.499 . . . . 156.62 111.101 -163.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 1.014 0 N-CA-C 114.494 1.294 . . . . 159.77 114.494 167.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt . . . . . 0 CA--C 1.548 0.902 0 N-CA-C 114.163 1.171 . . . . 149.77 114.163 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.5 143.2 30.37 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 118.78 0.718 . . . . 112.61 111.279 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.1 p -71.79 166.53 21.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.669 0.668 . . . . 106.97 110.061 170.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -61.98 -39.17 91.28 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 114.08 1.141 . . . . 106.85 114.08 166.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 m -53.94 -50.49 66.33 Favored 'General case' 0 N--CA 1.437 -1.1 0 O-C-N 124.681 1.238 . . . . 96.55 109.26 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.18 -45.82 93.04 Favored 'General case' 0 C--O 1.252 1.215 0 CA-C-N 115.105 -0.952 . . . . 97.98 112.678 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.53 -44.2 84.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-N 115.255 -0.884 . . . . 97.47 113.193 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -79.28 -18.23 53.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.447 1.647 . . . . 107.34 115.447 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.8 mt -74.93 -49.8 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 N-CA-C 103.511 -2.774 . . . . 89.36 103.511 171.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.19 -46.59 82.71 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.391 -0.596 . . . . 108.65 109.391 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.9 ttp -54.83 -55.28 31.94 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 106.763 -1.569 . . . . 123.03 106.763 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.31 -48.47 76.63 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 118.457 -1.297 . . . . 105.44 114.048 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.4 mt -71.2 -13.18 61.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.12 -1.032 . . . . 109.35 111.755 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 p -58.6 -40.76 84.16 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.089 1.144 . . . . 125.74 114.089 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -94.13 -14.21 25.92 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.689 1.737 . . . . 143.82 115.689 -178.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -173.49 163.58 4.43 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 118.678 0.672 . . . . 152.26 112.484 164.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -85.65 154.1 21.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.582 -0.896 . . . . 158.8 108.582 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.8 mt -157.53 156.24 31.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.763 0.792 . . . . 118.46 111.537 -168.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.3 p -72.68 166.35 22.98 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 116.093 -0.503 . . . . 130.59 110.426 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -48.18 -38.45 18.16 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 112.492 0.553 . . . . 127.39 112.492 161.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.6 t -75.57 -39.96 57.34 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 115.42 1.637 . . . . 119.39 115.42 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -55.4 -50.72 69.01 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 106.97 -1.493 . . . . 123.0 106.97 174.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.32 -43.04 92.74 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.858 1.663 . . . . 96.9 115.336 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.63 -53.26 59.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 118.879 0.763 . . . . 100.54 110.259 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -44.5 -65.85 0.47 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.902 1.681 . . . . 161.39 111.711 168.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.61 -46.8 63.71 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.393 -0.821 . . . . 114.97 111.714 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.0 mt -91.53 -3.51 56.44 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 114.585 1.328 . . . . 97.62 114.585 -176.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 58.07 64.49 1.5 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 121.443 0.639 . . . . 163.92 110.405 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.8 pt -151.76 168.01 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.255 0 CA-C-N 115.268 -0.878 . . . . 109.27 109.325 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.9 p -65.02 146.73 54.63 Favored 'General case' 0 C--O 1.272 2.245 0 CA-C-N 115.558 -0.746 . . . . 112.58 110.246 178.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -48.66 -48.19 40.05 Favored 'General case' 0 C--O 1.244 0.794 0 O-C-N 125.727 1.892 . . . . 157.26 109.228 169.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.97 75.72 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 113.796 -1.547 . . . . 108.56 113.602 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.92 71.88 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.221 -0.899 . . . . 97.13 110.357 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -49.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 107.425 -1.324 . . . . 83.85 107.425 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 p -58.2 -29.68 65.85 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.594 -0.73 . . . . 115.14 112.686 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -61.16 2.26 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 107.519 -1.289 . . . . 175.39 107.519 175.31 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.15 -45.81 61.8 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 126.208 1.803 . . . . 95.8 112.674 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.71 -46.39 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 O-C-N 125.02 1.45 . . . . 77.13 112.556 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -66.83 -37.8 85.2 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.146 1.529 . . . . 101.83 111.195 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 t -65.76 -39.18 90.79 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.091 -1.444 . . . . 89.07 109.723 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.04 -40.56 91.1 Favored 'General case' 0 C--O 1.261 1.696 0 CA-C-O 121.802 0.811 . . . . 86.54 112.212 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.54 -44.74 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.355 -1.293 . . . . 90.54 108.954 177.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -54.81 -35.6 64.06 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 113.482 0.919 . . . . 137.3 113.482 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.89 17.92 6.23 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 125.366 1.666 . . . . 118.93 112.285 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 52.35 27.32 4.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.039 1.496 . . . . 134.67 115.039 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.79 -26.63 31.62 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 114.041 1.126 . . . . 121.85 114.041 -178.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 tp -140.46 154.22 46.54 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 124.261 1.025 . . . . 95.16 109.757 -158.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.96 123.52 12.45 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.789 -0.764 . . . . 107.19 109.825 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.87 133.23 11.65 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 124.604 1.19 . . . . 106.82 115.257 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.0 p -142.17 127.03 18.2 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 105.123 -2.176 . . . . 137.72 105.123 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -84.49 146.08 27.79 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.712 1.375 . . . . 115.6 114.712 -168.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.24 139.54 58.78 Favored 'General case' 0 C--O 1.258 1.552 0 C-N-CA 123.976 0.91 . . . . 106.83 110.736 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -91.6 11.25 24.87 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.801 1.408 . . . . 111.18 114.801 -172.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.18 -35.83 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.654 1.582 . . . . 127.36 110.935 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.58 104.08 6.75 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 106.895 -1.52 . . . . 103.87 106.895 -178.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.98 -19.83 65.99 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 113.774 -1.557 . . . . 97.5 115.196 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -64.45 -33.32 75.61 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.748 0.647 . . . . 116.66 112.748 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.64 129.04 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 C-N-CA 126.978 2.111 . . . . 94.97 112.477 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.9 m -114.34 140.26 48.78 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.981 1.712 . . . . 98.33 111.112 170.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.99 141.43 48.47 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 108.975 -0.75 . . . . 127.63 108.975 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -107.9 131.72 54.22 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 113.639 0.977 . . . . 98.25 113.639 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.22 154.23 22.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.039 -1.437 . . . . 156.42 107.309 170.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.4 155.06 40.54 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.857 -1.164 . . . . 100.39 107.857 165.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.1 p -95.15 170.71 9.21 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 125.791 1.932 . . . . 112.64 111.374 164.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.11 -34.75 75.46 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.705 -0.68 . . . . 128.13 112.352 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.19 -27.96 69.34 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.508 1.13 . . . . 144.96 110.697 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -82.35 -35.01 28.24 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 125.53 1.532 . . . . 104.72 112.737 -172.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.67 -46.91 93.53 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 114.279 1.215 . . . . 111.22 114.279 -165.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.34 -43.51 26.38 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 N-CA-C 114.422 0.893 . . . . 119.29 114.422 164.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.2 mm -66.39 -38.63 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 N-CA-C 113.146 0.795 . . . . 131.89 113.146 -178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.8 71.0 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 123.305 0.642 . . . . 107.39 109.705 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -55.92 -49.81 72.43 Favored 'General case' 0 CA--C 1.491 -1.318 0 CA-C-N 114.38 -1.282 . . . . 96.58 112.108 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.11 -46.55 90.12 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 124.3 1.0 . . . . 163.42 109.114 -174.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -66.28 -31.92 73.02 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 114.945 -1.025 . . . . 111.81 111.58 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.3 m -63.61 -51.88 63.3 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.682 -1.229 . . . . 104.92 107.682 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.482 0.6 OUTLIER -78.76 -15.33 58.56 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 117.329 -1.748 . . . . 197.24 115.072 178.732 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.07 -38.13 75.78 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 117.123 -1.831 . . . . 159.48 108.909 164.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -73.73 -32.53 63.91 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.085 1.143 . . . . 97.6 114.085 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.17 -43.47 92.13 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.847 -0.597 . . . . 109.28 111.168 171.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.6 -41.51 96.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.571 0.952 . . . . 145.13 113.571 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -66.71 -25.96 66.79 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.529 0.681 . . . . 107.05 111.378 -174.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.99 -41.2 99.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 118.339 -0.838 . . . . 98.63 113.228 171.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -61.05 -38.48 86.32 Favored 'General case' 0 N--CA 1.513 2.69 0 CA-C-N 118.23 0.468 . . . . 113.98 112.134 170.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.99 -40.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 C-N-CA 118.222 -1.391 . . . . 88.97 108.987 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.95 -47.12 75.73 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.315 -0.857 . . . . 92.83 110.388 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -54.92 -57.85 9.99 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 113.979 1.103 . . . . 98.9 113.979 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -49.63 -39.79 37.16 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.446 0.906 . . . . 121.72 113.446 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.29 -37.01 84.43 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-O 122.4 1.095 . . . . 118.95 111.094 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.3 mt -79.51 -26.3 41.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.619 -0.676 . . . . 96.32 110.246 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -57.05 -16.85 8.13 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 116.59 2.07 . . . . 115.69 116.59 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -76.66 -2.43 32.72 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.757 1.021 . . . . 152.63 113.757 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -118.08 131.77 56.41 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.936 1.294 . . . . 99.27 108.703 -169.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.4 p -55.94 150.89 12.61 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.874 -1.158 . . . . 111.45 107.874 171.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.61 -14.14 62.02 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.552 1.315 . . . . 104.87 114.552 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -83.68 -41.02 18.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.058 0.543 . . . . 163.66 112.407 169.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -52.0 -44.5 64.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.918 0.866 . . . . 104.94 109.094 168.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.03 -26.91 68.53 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 117.76 2.504 . . . . 116.75 117.76 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -27.08 65.14 Favored 'General case' 0 C--O 1.251 1.178 0 C-N-CA 118.467 -1.293 . . . . 166.72 110.296 175.654 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.9 mt -72.37 -38.06 59.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 C-N-CA 119.568 -0.853 . . . . 111.71 111.402 171.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.08 -50.59 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 107.589 -1.263 . . . . 94.81 107.589 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -51.86 -54.7 26.07 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 125.671 1.857 . . . . 108.01 110.772 176.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -50.56 -60.42 3.04 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 125.194 1.559 . . . . 117.67 111.02 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -49.63 -55.6 13.08 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.644 1.72 . . . . 89.32 115.644 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -67.05 -22.58 29.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 117.322 -1.751 . . . . 90.55 108.577 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 44.8 m -72.22 -42.09 66.14 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 115.664 1.727 . . . . 92.77 115.664 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.0 m -74.84 -33.44 30.49 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 CA-C-O 123.019 1.39 . . . . 97.96 109.704 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -41.68 87.08 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.097 -1.411 . . . . 103.71 107.861 175.965 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -32.11 -75.3 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 124.596 1.185 . . . . 145.94 111.39 174.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -120.27 60.93 0.87 Allowed 'General case' 0 C--O 1.177 -2.756 0 C-N-CA 116.831 -1.948 . . . . 158.64 109.817 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -98.04 -7.85 28.98 Favored 'General case' 0 N--CA 1.428 -1.557 0 N-CA-C 106.145 -1.798 . . . . 136.43 106.145 141.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.69 3.69 11.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 116.743 2.127 . . . . 149.01 116.743 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.0 -47.96 72.74 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 119.62 -0.832 . . . . 210.93 112.632 174.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.625 0 N-CA-C 111.097 -0.801 . . . . 152.01 111.097 178.746 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 CA-C-O 119.336 -0.702 . . . . 139.21000000000001 112.809 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . 0.527 ' HB ' ' OE1' ' A' ' 5' ' ' GLU . 63.6 p -70.21 148.26 48.82 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.67 -1.974 . . . . 110.73999999999999 105.67 166.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.52 -29.7 69.28 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 114.84 1.422 . . . . 119.14 114.84 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HB ' ' A' ' 3' ' ' THR . 59.3 mp0 -48.54 -56.26 8.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.263 -1.79 . . . . 105.08 109.468 170.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -47.11 86.9 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 124.733 1.271 . . . . 142.28999999999999 111.184 176.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -53.5 -38.1 63.37 Favored 'General case' 0 C--O 1.251 1.181 0 C-N-CA 119.265 -0.974 . . . . 120.43000000000001 111.426 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.88 -45.0 72.1 Favored 'General case' 0 CA--C 1.489 -1.377 0 O-C-N 123.903 0.752 . . . . 96.769999999999996 111.062 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.78 -35.45 81.11 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.735 -0.666 . . . . 100.44 109.923 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' THR . 17.5 m-20 -64.22 -49.27 72.6 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 113.96 1.096 . . . . 135.87 113.96 172.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.0 tp -51.29 -42.45 61.14 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.604 1.19 . . . . 90.519999999999996 110.024 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.77 -47.81 48.21 Favored 'Isoleucine or valine' 0 C--O 1.26 1.65 0 N-CA-C 108.269 -1.011 . . . . 89.219999999999999 108.269 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -50.92 -39.4 54.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.21 -1.359 . . . . 95.790000000000006 112.709 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.2 p -73.74 -43.04 60.26 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.404 -0.962 . . . . 99.969999999999999 108.404 177.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' THR . 49.7 mt -51.11 -43.3 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.774 0 C-N-CA 116.894 -1.922 . . . . 103.89 110.144 175.793 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.5 mt -74.77 -41.22 60.45 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 118.707 -1.197 . . . . 92.930000000000007 113.645 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.93 -30.48 56.1 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 114.62 -1.173 . . . . 100.68000000000001 110.991 -174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -69.21 -43.08 74.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 118.763 -0.637 . . . . 120.68000000000001 111.547 171.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.57 -58.98 6.22 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.377 -0.971 . . . . 118.05 108.377 177.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -43.67 -47.11 7.67 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.953 1.835 . . . . 118.92 115.953 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -100.35 -64.59 1.03 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.498 0.499 . . . . 156.62 111.101 -163.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 1.014 0 N-CA-C 114.494 1.294 . . . . 159.77000000000001 114.494 167.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt . . . . . 0 CA--C 1.548 0.902 0 N-CA-C 114.163 1.171 . . . . 149.77000000000001 114.163 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.5 143.2 30.37 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 118.78 0.718 . . . . 112.61 111.279 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.1 p -71.79 166.53 21.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.669 0.668 . . . . 106.97 110.061 170.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -61.98 -39.17 91.28 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 114.08 1.141 . . . . 106.84999999999999 114.08 166.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 m -53.94 -50.49 66.33 Favored 'General case' 0 N--CA 1.437 -1.1 0 O-C-N 124.681 1.238 . . . . 96.549999999999997 109.26 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.18 -45.82 93.04 Favored 'General case' 0 C--O 1.252 1.215 0 CA-C-N 115.105 -0.952 . . . . 97.980000000000004 112.678 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.53 -44.2 84.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-N 115.255 -0.884 . . . . 97.469999999999999 113.193 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -79.28 -18.23 53.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.447 1.647 . . . . 107.34 115.447 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.8 mt -74.93 -49.8 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 N-CA-C 103.511 -2.774 . . . . 89.359999999999999 103.511 171.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.19 -46.59 82.71 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.391 -0.596 . . . . 108.65000000000001 109.391 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.9 ttp -54.83 -55.28 31.94 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 106.763 -1.569 . . . . 123.03 106.763 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.31 -48.47 76.63 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 118.457 -1.297 . . . . 105.44 114.048 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.4 mt -71.2 -13.18 61.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.12 -1.032 . . . . 109.34999999999999 111.755 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 p -58.6 -40.76 84.16 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.089 1.144 . . . . 125.73999999999999 114.089 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -94.13 -14.21 25.92 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.689 1.737 . . . . 143.81999999999999 115.689 -178.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -173.49 163.58 4.43 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 118.678 0.672 . . . . 152.25999999999999 112.484 164.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -85.65 154.1 21.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.582 -0.896 . . . . 158.80000000000001 108.582 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.8 mt -157.53 156.24 31.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.763 0.792 . . . . 118.45999999999999 111.537 -168.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 55' ' ' THR . 33.3 p -72.68 166.35 22.98 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 116.093 -0.503 . . . . 130.59 110.426 176.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -48.18 -38.45 18.16 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 112.492 0.553 . . . . 127.39 112.492 161.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . 0.454 HG22 ' OG1' ' A' ' 53' ' ' THR . 3.6 t -75.57 -39.96 57.34 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 115.42 1.637 . . . . 119.39 115.42 -176.604 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -55.4 -50.72 69.01 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 106.97 -1.493 . . . . 123.0 106.97 174.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.32 -43.04 92.74 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.858 1.663 . . . . 96.900000000000006 115.336 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.63 -53.26 59.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 118.879 0.763 . . . . 100.54000000000001 110.259 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -44.5 -65.85 0.47 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.902 1.681 . . . . 161.38999999999999 111.711 168.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.61 -46.8 63.71 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.393 -0.821 . . . . 114.97 111.714 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.0 mt -91.53 -3.51 56.44 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 114.585 1.328 . . . . 97.620000000000005 114.585 -176.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 58.07 64.49 1.5 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 121.443 0.639 . . . . 163.91999999999999 110.405 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.8 pt -151.76 168.01 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.255 0 CA-C-N 115.268 -0.878 . . . . 109.27 109.325 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.9 p -65.02 146.73 54.63 Favored 'General case' 0 C--O 1.272 2.245 0 CA-C-N 115.558 -0.746 . . . . 112.58 110.246 178.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -48.66 -48.19 40.05 Favored 'General case' 0 C--O 1.244 0.794 0 O-C-N 125.727 1.892 . . . . 157.25999999999999 109.228 169.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.97 75.72 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 113.796 -1.547 . . . . 108.56 113.602 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.92 71.88 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.221 -0.899 . . . . 97.129999999999995 110.357 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -49.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 107.425 -1.324 . . . . 83.849999999999994 107.425 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 p -58.2 -29.68 65.85 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.594 -0.73 . . . . 115.14 112.686 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -61.16 2.26 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 107.519 -1.289 . . . . 175.38999999999999 107.519 175.31 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.15 -45.81 61.8 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 126.208 1.803 . . . . 95.799999999999997 112.674 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.71 -46.39 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 O-C-N 125.02 1.45 . . . . 77.129999999999995 112.556 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -66.83 -37.8 85.2 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.146 1.529 . . . . 101.83 111.195 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 t -65.76 -39.18 90.79 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.091 -1.444 . . . . 89.069999999999993 109.723 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.04 -40.56 91.1 Favored 'General case' 0 C--O 1.261 1.696 0 CA-C-O 121.802 0.811 . . . . 86.540000000000006 112.212 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.54 -44.74 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.355 -1.293 . . . . 90.540000000000006 108.954 177.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -54.81 -35.6 64.06 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 113.482 0.919 . . . . 137.30000000000001 113.482 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.89 17.92 6.23 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 125.366 1.666 . . . . 118.93000000000001 112.285 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 52.35 27.32 4.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.039 1.496 . . . . 134.66999999999999 115.039 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . 0.541 ' HG3' ' HB2' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -82.79 -26.63 31.62 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 114.041 1.126 . . . . 121.84999999999999 114.041 -178.764 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 tp -140.46 154.22 46.54 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 124.261 1.025 . . . . 95.159999999999997 109.757 -158.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.96 123.52 12.45 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.789 -0.764 . . . . 107.19 109.825 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.87 133.23 11.65 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 124.604 1.19 . . . . 106.81999999999999 115.257 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.0 p -142.17 127.03 18.2 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 105.123 -2.176 . . . . 137.72 105.123 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -84.49 146.08 27.79 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.712 1.375 . . . . 115.59999999999999 114.712 -168.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.24 139.54 58.78 Favored 'General case' 0 C--O 1.258 1.552 0 C-N-CA 123.976 0.91 . . . . 106.83 110.736 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -91.6 11.25 24.87 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.801 1.408 . . . . 111.18000000000001 114.801 -172.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.18 -35.83 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.654 1.582 . . . . 127.36 110.935 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.58 104.08 6.75 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 106.895 -1.52 . . . . 103.87 106.895 -178.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.98 -19.83 65.99 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 113.774 -1.557 . . . . 97.5 115.196 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -64.45 -33.32 75.61 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.748 0.647 . . . . 116.66 112.748 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.64 129.04 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 C-N-CA 126.978 2.111 . . . . 94.969999999999999 112.477 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.9 m -114.34 140.26 48.78 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.981 1.712 . . . . 98.329999999999998 111.112 170.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.99 141.43 48.47 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 108.975 -0.75 . . . . 127.63 108.975 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -107.9 131.72 54.22 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 113.639 0.977 . . . . 98.25 113.639 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.22 154.23 22.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.039 -1.437 . . . . 156.41999999999999 107.309 170.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.4 155.06 40.54 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.857 -1.164 . . . . 100.39 107.857 165.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.1 p -95.15 170.71 9.21 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 125.791 1.932 . . . . 112.64 111.374 164.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.11 -34.75 75.46 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.705 -0.68 . . . . 128.13 112.352 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.19 -27.96 69.34 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.508 1.13 . . . . 144.96000000000001 110.697 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . 0.541 ' HB2' ' HG3' ' A' ' 80' ' ' MET . . . -82.35 -35.01 28.24 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 125.53 1.532 . . . . 104.72 112.737 -172.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.67 -46.91 93.53 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 114.279 1.215 . . . . 111.22 114.279 -165.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.34 -43.51 26.38 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 N-CA-C 114.422 0.893 . . . . 119.29000000000001 114.422 164.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.2 mm -66.39 -38.63 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 N-CA-C 113.146 0.795 . . . . 131.88999999999999 113.146 -178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.8 71.0 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 123.305 0.642 . . . . 107.39 109.705 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -55.92 -49.81 72.43 Favored 'General case' 0 CA--C 1.491 -1.318 0 CA-C-N 114.38 -1.282 . . . . 96.579999999999998 112.108 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.11 -46.55 90.12 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 124.3 1.0 . . . . 163.41999999999999 109.114 -174.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -66.28 -31.92 73.02 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 114.945 -1.025 . . . . 111.81 111.58 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.3 m -63.61 -51.88 63.3 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.682 -1.229 . . . . 104.92 107.682 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.482 0.6 OUTLIER -78.76 -15.33 58.56 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 117.329 -1.748 . . . . 197.24000000000001 115.072 178.732 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.07 -38.13 75.78 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 117.123 -1.831 . . . . 159.47999999999999 108.909 164.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -73.73 -32.53 63.91 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.085 1.143 . . . . 97.599999999999994 114.085 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.17 -43.47 92.13 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.847 -0.597 . . . . 109.28 111.168 171.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.6 -41.51 96.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.571 0.952 . . . . 145.13 113.571 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -66.71 -25.96 66.79 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.529 0.681 . . . . 107.05 111.378 -174.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.99 -41.2 99.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 118.339 -0.838 . . . . 98.629999999999995 113.228 171.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -61.05 -38.48 86.32 Favored 'General case' 0 N--CA 1.513 2.69 0 CA-C-N 118.23 0.468 . . . . 113.98 112.134 170.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.99 -40.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 C-N-CA 118.222 -1.391 . . . . 88.969999999999999 108.987 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.95 -47.12 75.73 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.315 -0.857 . . . . 92.829999999999998 110.388 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -54.92 -57.85 9.99 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 113.979 1.103 . . . . 98.900000000000006 113.979 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -49.63 -39.79 37.16 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.446 0.906 . . . . 121.72 113.446 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.29 -37.01 84.43 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-O 122.4 1.095 . . . . 118.95 111.094 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.3 mt -79.51 -26.3 41.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.619 -0.676 . . . . 96.319999999999993 110.246 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -57.05 -16.85 8.13 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 116.59 2.07 . . . . 115.69 116.59 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -76.66 -2.43 32.72 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.757 1.021 . . . . 152.63 113.757 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -118.08 131.77 56.41 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.936 1.294 . . . . 99.269999999999996 108.703 -169.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.4 p -55.94 150.89 12.61 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.874 -1.158 . . . . 111.45 107.874 171.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.61 -14.14 62.02 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.552 1.315 . . . . 104.87 114.552 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -83.68 -41.02 18.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.058 0.543 . . . . 163.66 112.407 169.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -52.0 -44.5 64.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.918 0.866 . . . . 104.94 109.094 168.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.03 -26.91 68.53 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 117.76 2.504 . . . . 116.75 117.76 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -27.08 65.14 Favored 'General case' 0 C--O 1.251 1.178 0 C-N-CA 118.467 -1.293 . . . . 166.72 110.296 175.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.9 mt -72.37 -38.06 59.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 C-N-CA 119.568 -0.853 . . . . 111.70999999999999 111.402 171.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.08 -50.59 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 107.589 -1.263 . . . . 94.810000000000002 107.589 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -51.86 -54.7 26.07 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 125.671 1.857 . . . . 108.01000000000001 110.772 176.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -50.56 -60.42 3.04 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 125.194 1.559 . . . . 117.67 111.02 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -49.63 -55.6 13.08 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.644 1.72 . . . . 89.319999999999993 115.644 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -67.05 -22.58 29.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 117.322 -1.751 . . . . 90.549999999999997 108.577 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' THR . . . . . 0.549 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 44.8 m -72.22 -42.09 66.14 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 115.664 1.727 . . . . 92.769999999999996 115.664 178.09 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.0 m -74.84 -33.44 30.49 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 CA-C-O 123.019 1.39 . . . . 97.959999999999994 109.704 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -41.68 87.08 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.097 -1.411 . . . . 103.70999999999999 107.861 175.965 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 139' ' ' THR . . . -32.11 -75.3 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 124.596 1.185 . . . . 145.94 111.39 174.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -120.27 60.93 0.87 Allowed 'General case' 0 C--O 1.177 -2.756 0 C-N-CA 116.831 -1.948 . . . . 158.63999999999999 109.817 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -98.04 -7.85 28.98 Favored 'General case' 0 N--CA 1.428 -1.557 0 N-CA-C 106.145 -1.798 . . . . 136.43000000000001 106.145 141.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.69 3.69 11.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 116.743 2.127 . . . . 149.00999999999999 116.743 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.0 -47.96 72.74 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 119.62 -0.832 . . . . 210.93000000000001 112.632 174.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.625 0 N-CA-C 111.097 -0.801 . . . . 152.00999999999999 111.097 178.746 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 CA-C-O 119.336 -0.702 . . . . 139.21000000000001 112.809 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . 0.527 ' HB ' ' OE1' ' A' ' 5' ' ' GLU . 63.6 p -70.21 148.26 48.82 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 105.67 -1.974 . . . . 110.73999999999999 105.67 166.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 mp -60.52 -29.7 69.28 Favored 'General case' 0 C--O 1.281 2.735 0 N-CA-C 114.84 1.422 . . . . 119.14 114.84 174.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.527 ' OE1' ' HB ' ' A' ' 3' ' ' THR . 59.3 mp0 -48.54 -56.26 8.84 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 113.263 -1.79 . . . . 105.08 109.468 170.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.63 -47.11 86.9 Favored 'General case' 0 CA--C 1.499 -0.999 0 O-C-N 124.733 1.271 . . . . 142.28999999999999 111.184 176.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 59.1 mttt -53.5 -38.1 63.37 Favored 'General case' 0 C--O 1.251 1.181 0 C-N-CA 119.265 -0.974 . . . . 120.43000000000001 111.426 177.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.88 -45.0 72.1 Favored 'General case' 0 CA--C 1.489 -1.377 0 O-C-N 123.903 0.752 . . . . 96.769999999999996 111.062 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -64.78 -35.45 81.11 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 115.735 -0.666 . . . . 100.44 109.923 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.405 ' O ' HG23 ' A' ' 14' ' ' THR . 17.5 m-20 -64.22 -49.27 72.6 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 113.96 1.096 . . . . 135.87 113.96 172.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.0 tp -51.29 -42.45 61.14 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 124.604 1.19 . . . . 90.519999999999996 110.024 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 47.8 t -72.77 -47.81 48.21 Favored 'Isoleucine or valine' 0 C--O 1.26 1.65 0 N-CA-C 108.269 -1.011 . . . . 89.219999999999999 108.269 -175.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -50.92 -39.4 54.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.21 -1.359 . . . . 95.790000000000006 112.709 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.2 p -73.74 -43.04 60.26 Favored 'General case' 0 CA--C 1.497 -1.092 0 N-CA-C 108.404 -0.962 . . . . 99.969999999999999 108.404 177.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 14' ' ' THR . 49.7 mt -51.11 -43.3 26.69 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.774 0 C-N-CA 116.894 -1.922 . . . . 103.89 110.144 175.793 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.5 mt -74.77 -41.22 60.45 Favored 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 118.707 -1.197 . . . . 92.930000000000007 113.645 -176.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.93 -30.48 56.1 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 114.62 -1.173 . . . . 100.68000000000001 110.991 -174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -69.21 -43.08 74.85 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 118.763 -0.637 . . . . 120.68000000000001 111.547 171.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.57 -58.98 6.22 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 108.377 -0.971 . . . . 118.05 108.377 177.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -43.67 -47.11 7.67 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 115.953 1.835 . . . . 118.92 115.953 -178.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -100.35 -64.59 1.03 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.498 0.499 . . . . 156.62 111.101 -163.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.551 1.014 0 N-CA-C 114.494 1.294 . . . . 159.77000000000001 114.494 167.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt . . . . . 0 CA--C 1.548 0.902 0 N-CA-C 114.163 1.171 . . . . 149.77000000000001 114.163 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.5 143.2 30.37 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-N 118.78 0.718 . . . . 112.61 111.279 179.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 35.1 p -71.79 166.53 21.84 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 118.669 0.668 . . . . 106.97 110.061 170.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -61.98 -39.17 91.28 Favored 'General case' 0 CA--C 1.503 -0.834 0 N-CA-C 114.08 1.141 . . . . 106.84999999999999 114.08 166.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.0 m -53.94 -50.49 66.33 Favored 'General case' 0 N--CA 1.437 -1.1 0 O-C-N 124.681 1.238 . . . . 96.549999999999997 109.26 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.18 -45.82 93.04 Favored 'General case' 0 C--O 1.252 1.215 0 CA-C-N 115.105 -0.952 . . . . 97.980000000000004 112.678 179.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -57.53 -44.2 84.94 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-N 115.255 -0.884 . . . . 97.469999999999999 113.193 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -79.28 -18.23 53.1 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.447 1.647 . . . . 107.34 115.447 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.8 mt -74.93 -49.8 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.559 0 N-CA-C 103.511 -2.774 . . . . 89.359999999999999 103.511 171.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.19 -46.59 82.71 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.391 -0.596 . . . . 108.65000000000001 109.391 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 2.9 ttp -54.83 -55.28 31.94 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 106.763 -1.569 . . . . 123.03 106.763 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.31 -48.47 76.63 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 118.457 -1.297 . . . . 105.44 114.048 178.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 71.4 mt -71.2 -13.18 61.84 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 119.12 -1.032 . . . . 109.34999999999999 111.755 -178.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.3 p -58.6 -40.76 84.16 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 114.089 1.144 . . . . 125.73999999999999 114.089 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -94.13 -14.21 25.92 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.689 1.737 . . . . 143.81999999999999 115.689 -178.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -173.49 163.58 4.43 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 118.678 0.672 . . . . 152.25999999999999 112.484 164.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.6 mtm180 -85.65 154.1 21.91 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.582 -0.896 . . . . 158.80000000000001 108.582 -178.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.8 mt -157.53 156.24 31.65 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.763 0.792 . . . . 118.45999999999999 111.537 -168.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . 0.454 ' OG1' HG22 ' A' ' 55' ' ' THR . 33.3 p -72.68 166.35 22.98 Favored 'General case' 0 C--O 1.212 -0.895 0 CA-C-N 116.093 -0.503 . . . . 130.59 110.426 176.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -48.18 -38.45 18.16 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 112.492 0.553 . . . . 127.39 112.492 161.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 HG22 ' OG1' ' A' ' 53' ' ' THR . 3.6 t -75.57 -39.96 57.34 Favored 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 115.42 1.637 . . . . 119.39 115.42 -176.604 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -55.4 -50.72 69.01 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 106.97 -1.493 . . . . 123.0 106.97 174.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.3 mt -59.32 -43.04 92.74 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.858 1.663 . . . . 96.900000000000006 115.336 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.63 -53.26 59.64 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 118.879 0.763 . . . . 100.54000000000001 110.259 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tptt -44.5 -65.85 0.47 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.902 1.681 . . . . 161.38999999999999 111.711 168.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.61 -46.8 63.71 Favored 'General case' 0 C--O 1.21 -1.004 0 CA-C-N 115.393 -0.821 . . . . 114.97 111.714 -174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.0 mt -91.53 -3.51 56.44 Favored 'General case' 0 C--O 1.243 0.74 0 N-CA-C 114.585 1.328 . . . . 97.620000000000005 114.585 -176.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 58.07 64.49 1.5 Allowed 'General case' 0 CA--C 1.554 1.1 0 CA-C-O 121.443 0.639 . . . . 163.91999999999999 110.405 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.8 pt -151.76 168.01 1.6 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.255 0 CA-C-N 115.268 -0.878 . . . . 109.27 109.325 178.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 56.9 p -65.02 146.73 54.63 Favored 'General case' 0 C--O 1.272 2.245 0 CA-C-N 115.558 -0.746 . . . . 112.58 110.246 178.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -48.66 -48.19 40.05 Favored 'General case' 0 C--O 1.244 0.794 0 O-C-N 125.727 1.892 . . . . 157.25999999999999 109.228 169.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.97 -36.97 75.72 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 113.796 -1.547 . . . . 108.56 113.602 -178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.64 -32.92 71.88 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.221 -0.899 . . . . 97.129999999999995 110.357 178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.6 t -70.25 -49.99 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 107.425 -1.324 . . . . 83.849999999999994 107.425 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.4 p -58.2 -29.68 65.85 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 115.594 -0.73 . . . . 115.14 112.686 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.49 -61.16 2.26 Favored 'General case' 0 N--CA 1.51 2.535 0 N-CA-C 107.519 -1.289 . . . . 175.38999999999999 107.519 175.31 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.15 -45.81 61.8 Favored 'General case' 0 C--O 1.264 1.863 0 C-N-CA 126.208 1.803 . . . . 95.799999999999997 112.674 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.7 mm -57.71 -46.39 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 O-C-N 125.02 1.45 . . . . 77.129999999999995 112.556 179.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -66.83 -37.8 85.2 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.146 1.529 . . . . 101.83 111.195 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 t -65.76 -39.18 90.79 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 118.091 -1.444 . . . . 89.069999999999993 109.723 177.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 32.7 mt -66.04 -40.56 91.1 Favored 'General case' 0 C--O 1.261 1.696 0 CA-C-O 121.802 0.811 . . . . 86.540000000000006 112.212 -177.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -65.54 -44.74 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 114.355 -1.293 . . . . 90.540000000000006 108.954 177.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -54.81 -35.6 64.06 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 113.482 0.919 . . . . 137.30000000000001 113.482 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -89.89 17.92 6.23 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 125.366 1.666 . . . . 118.93000000000001 112.285 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 52.35 27.32 4.74 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.039 1.496 . . . . 134.66999999999999 115.039 -177.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . 0.541 ' HG3' ' HB2' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -82.79 -26.63 31.62 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 114.041 1.126 . . . . 121.84999999999999 114.041 -178.764 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.5 tp -140.46 154.22 46.54 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 124.261 1.025 . . . . 95.159999999999997 109.757 -158.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -144.96 123.52 12.45 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.789 -0.764 . . . . 107.19 109.825 178.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -85.87 133.23 11.65 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 124.604 1.19 . . . . 106.81999999999999 115.257 175.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 5.0 p -142.17 127.03 18.2 Favored 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 105.123 -2.176 . . . . 137.72 105.123 -175.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 37.7 mttt -84.49 146.08 27.79 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.712 1.375 . . . . 115.59999999999999 114.712 -168.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -63.24 139.54 58.78 Favored 'General case' 0 C--O 1.258 1.552 0 C-N-CA 123.976 0.91 . . . . 106.83 110.736 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 29.9 p -91.6 11.25 24.87 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.801 1.408 . . . . 111.18000000000001 114.801 -172.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.0 t -119.18 -35.83 1.65 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.654 1.582 . . . . 127.36 110.935 173.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -131.58 104.08 6.75 Favored 'General case' 0 C--O 1.254 1.293 0 N-CA-C 106.895 -1.52 . . . . 103.87 106.895 -178.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.98 -19.83 65.99 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-N 113.774 -1.557 . . . . 97.5 115.196 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -64.45 -33.32 75.61 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 112.748 0.647 . . . . 116.66 112.748 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.0 t -87.64 129.04 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 C-N-CA 126.978 2.111 . . . . 94.969999999999999 112.477 -174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.9 m -114.34 140.26 48.78 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 125.981 1.712 . . . . 98.329999999999998 111.112 170.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.99 141.43 48.47 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 108.975 -0.75 . . . . 127.63 108.975 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -107.9 131.72 54.22 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 113.639 0.977 . . . . 98.25 113.639 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -109.22 154.23 22.7 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-N 114.039 -1.437 . . . . 156.41999999999999 107.309 170.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.4 155.06 40.54 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 107.857 -1.164 . . . . 100.39 107.857 165.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.1 p -95.15 170.71 9.21 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 125.791 1.932 . . . . 112.64 111.374 164.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -61.11 -34.75 75.46 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-N 115.705 -0.68 . . . . 128.13 112.352 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.19 -27.96 69.34 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 124.508 1.13 . . . . 144.96000000000001 110.697 -178.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.541 ' HB2' ' HG3' ' A' ' 80' ' ' MET . . . -82.35 -35.01 28.24 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 125.53 1.532 . . . . 104.72 112.737 -172.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -61.67 -46.91 93.53 Favored Pre-proline 0 CA--C 1.552 1.055 0 N-CA-C 114.279 1.215 . . . . 111.22 114.279 -165.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -47.34 -43.51 26.38 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 N-CA-C 114.422 0.893 . . . . 119.29000000000001 114.422 164.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 2.2 mm -66.39 -38.63 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.059 0 N-CA-C 113.146 0.795 . . . . 131.88999999999999 113.146 -178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.77 -46.8 71.0 Favored 'General case' 0 C--O 1.215 -0.761 0 C-N-CA 123.305 0.642 . . . . 107.39 109.705 -178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.3 m -55.92 -49.81 72.43 Favored 'General case' 0 CA--C 1.491 -1.318 0 CA-C-N 114.38 -1.282 . . . . 96.579999999999998 112.108 177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -61.11 -46.55 90.12 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 124.3 1.0 . . . . 163.41999999999999 109.114 -174.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -66.28 -31.92 73.02 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-N 114.945 -1.025 . . . . 111.81 111.58 177.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 17.3 m -63.61 -51.88 63.3 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 107.682 -1.229 . . . . 104.92 107.682 -179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . 0.482 0.6 OUTLIER -78.76 -15.33 58.56 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 117.329 -1.748 . . . . 197.24000000000001 115.072 178.732 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.0 t-80 -58.07 -38.13 75.78 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 117.123 -1.831 . . . . 159.47999999999999 108.909 164.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -73.73 -32.53 63.91 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.085 1.143 . . . . 97.599999999999994 114.085 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.17 -43.47 92.13 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.847 -0.597 . . . . 109.28 111.168 171.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -64.6 -41.51 96.18 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.571 0.952 . . . . 145.13 113.571 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -66.71 -25.96 66.79 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 121.529 0.681 . . . . 107.05 111.378 -174.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 18.2 mt -62.99 -41.2 99.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 118.339 -0.838 . . . . 98.629999999999995 113.228 171.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -61.05 -38.48 86.32 Favored 'General case' 0 N--CA 1.513 2.69 0 CA-C-N 118.23 0.468 . . . . 113.98 112.134 170.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.99 -40.89 90.59 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 C-N-CA 118.222 -1.391 . . . . 88.969999999999999 108.987 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -65.95 -47.12 75.73 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 115.315 -0.857 . . . . 92.829999999999998 110.388 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -54.92 -57.85 9.99 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 113.979 1.103 . . . . 98.900000000000006 113.979 176.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -49.63 -39.79 37.16 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 113.446 0.906 . . . . 121.72 113.446 174.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 tt -66.29 -37.01 84.43 Favored 'General case' 0 CA--C 1.558 1.286 0 CA-C-O 122.4 1.095 . . . . 118.95 111.094 179.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.3 mt -79.51 -26.3 41.57 Favored 'General case' 0 N--CA 1.443 -0.789 0 O-C-N 121.619 -0.676 . . . . 96.319999999999993 110.246 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -57.05 -16.85 8.13 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 116.59 2.07 . . . . 115.69 116.59 178.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -76.66 -2.43 32.72 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 113.757 1.021 . . . . 152.63 113.757 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -118.08 131.77 56.41 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.936 1.294 . . . . 99.269999999999996 108.703 -169.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 56.4 p -55.94 150.89 12.61 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 107.874 -1.158 . . . . 111.45 107.874 171.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.61 -14.14 62.02 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.552 1.315 . . . . 104.87 114.552 -177.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -83.68 -41.02 18.2 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.058 0.543 . . . . 163.66 112.407 169.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -52.0 -44.5 64.13 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.918 0.866 . . . . 104.94 109.094 168.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.03 -26.91 68.53 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 117.76 2.504 . . . . 116.75 117.76 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.23 -27.08 65.14 Favored 'General case' 0 C--O 1.251 1.178 0 C-N-CA 118.467 -1.293 . . . . 166.72 110.296 175.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.9 mt -72.37 -38.06 59.89 Favored 'Isoleucine or valine' 0 C--O 1.244 0.807 0 C-N-CA 119.568 -0.853 . . . . 111.70999999999999 111.402 171.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.08 -50.59 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 N-CA-C 107.589 -1.263 . . . . 94.810000000000002 107.589 -178.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -51.86 -54.7 26.07 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 125.671 1.857 . . . . 108.01000000000001 110.772 176.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.7 tttt -50.56 -60.42 3.04 Favored 'General case' 0 C--O 1.248 0.996 0 O-C-N 125.194 1.559 . . . . 117.67 111.02 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -49.63 -55.6 13.08 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 115.644 1.72 . . . . 89.319999999999993 115.644 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 3.2 m -67.05 -22.58 29.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 C-N-CA 117.322 -1.751 . . . . 90.549999999999997 108.577 -176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' THR . . . . . 0.549 ' O ' ' HB3' ' A' ' 142' ' ' ALA . 44.8 m -72.22 -42.09 66.14 Favored 'General case' 0 CA--C 1.557 1.225 0 N-CA-C 115.664 1.727 . . . . 92.769999999999996 115.664 178.09 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.0 m -74.84 -33.44 30.49 Favored 'Isoleucine or valine' 0 C--O 1.255 1.389 0 CA-C-O 123.019 1.39 . . . . 97.959999999999994 109.704 177.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.83 -41.68 87.08 Favored 'General case' 0 N--CA 1.426 -1.668 0 CA-C-N 114.097 -1.411 . . . . 103.70999999999999 107.861 175.965 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 139' ' ' THR . . . -32.11 -75.3 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 124.596 1.185 . . . . 145.94 111.39 174.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -120.27 60.93 0.87 Allowed 'General case' 0 C--O 1.177 -2.756 0 C-N-CA 116.831 -1.948 . . . . 158.63999999999999 109.817 177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -98.04 -7.85 28.98 Favored 'General case' 0 N--CA 1.428 -1.557 0 N-CA-C 106.145 -1.798 . . . . 136.43000000000001 106.145 141.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.69 3.69 11.13 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 116.743 2.127 . . . . 149.00999999999999 116.743 172.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -66.0 -47.96 72.74 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 119.62 -0.832 . . . . 210.93000000000001 112.632 174.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.625 0 N-CA-C 111.097 -0.801 . . . . 152.00999999999999 111.097 178.746 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_