data_2atr_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 2atr _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . 1.445 ' CE ' 'SE ' ' A' ' 1' ' ' MSE . 5.5 ttm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 111.746 0.276 . . . . 89.68 111.746 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.98 134.34 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 115.074 1.509 . . . . 52.48 115.074 -176.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.4 m -105.3 134.19 48.82 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.908 -1.042 . . . . 43.11 108.525 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm -109.3 116.87 53.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 105.984 -1.858 . . . . 38.17 105.984 171.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.48 123.49 39.32 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 124.942 1.401 . . . . 50.36 113.59 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -64.8 136.2 56.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.308 -1.315 . . . . 49.49 110.755 169.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -118.95 132.28 56.07 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.872 1.269 . . . . 48.1 112.035 -176.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.08 -48.93 5.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.386 0.613 . . . . 64.71 112.227 176.849 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -112.86 123.77 68.85 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 121.634 0.731 . . . . 52.05 110.076 169.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 t -121.49 117.81 53.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 N-CA-C 107.086 -1.449 . . . . 45.01 107.086 174.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -91.16 141.72 28.51 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 125.158 1.537 . . . . 57.62 108.23 175.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.7 tp -59.11 -40.76 86.36 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 113.972 1.101 . . . . 48.05 113.972 -174.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 179' ' ' HOH . 2.9 mp0 -47.6 -40.95 20.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.292 0.849 . . . . 63.53 113.292 176.974 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -74.42 -18.04 60.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.665 0.617 . . . . 50.91 112.665 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -121.78 -4.23 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 115.378 1.621 . . . . 40.22 115.378 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.71 -37.41 76.06 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.283 0.364 . . . . 41.39 111.76 -174.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -53.82 -33.49 56.29 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.739 1.015 . . . . 36.07 113.739 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.4 mt -68.03 -48.79 64.71 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 121.056 -1.027 . . . . 33.1 111.212 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . 0.545 ' O ' ' CA ' ' A' ' 23' ' ' GLY . 97.4 m-85 -63.91 -46.55 84.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.268 -0.424 . . . . 36.82 110.931 177.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -47.86 -45.51 30.34 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.119 0.415 . . . . 43.62 112.119 166.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.08 -8.39 2.36 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 112.738 0.644 . . . . 49.27 112.738 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.352 35.4 m -123.2 0.94 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.978 1 N-CA-C 122.107 4.114 . . . . 57.13 122.107 179.418 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' CA ' ' O ' ' A' ' 19' ' ' TYR . . . -82.75 -105.94 0.47 Allowed Glycine 0 N--CA 1.5 2.932 1 N-CA-C 102.687 -4.165 . . . . 66.86 102.687 -63.761 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . 1.189 ' CE3' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -172.6 122.38 0.43 Allowed 'General case' 0 CA--C 1.62 3.645 0 CA-C-N 121.239 2.519 . . . . 80.59 111.519 -72.354 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . 1.189 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 18.2 p 111.32 106.61 0.0 OUTLIER 'General case' 1 N--CA 1.66 10.064 0 N-CA-C 121.383 3.845 . . . . 74.25 121.383 -101.046 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 3 C--O 1.371 7.448 1 CA-C-O 106.444 -6.503 . . . . 73.0 112.582 -56.031 . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . 0.279 55.1 mp0 . . . . . 0 CA--C 1.566 1.591 0 N-CA-C 119.072 2.99 . . . . 61.06 119.072 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' MSE . . . . . . . . . . . . . 37.3 mmt -39.28 -35.3 0.25 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 111.795 -2.457 . . . . 46.25 113.226 136.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.1 tp -63.97 -44.07 93.85 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.307 0.855 . . . . 46.59 113.307 -169.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -51.9 -50.15 61.62 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.724 0.773 . . . . 51.62 111.537 172.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -63.86 -43.9 94.71 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.827 0.677 . . . . 54.31 112.827 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.78 73.89 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.677 0.991 . . . . 37.61 113.677 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.64 -26.55 22.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.515 0.931 . . . . 40.52 113.515 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -85.83 -12.24 51.33 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.367 0.877 . . . . 44.81 113.367 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -122.44 28.56 7.34 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.487 0.661 . . . . 42.41 111.741 -168.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.8 m -100.62 165.33 11.46 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 107.194 -1.41 . . . . 31.79 107.194 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt -78.17 -43.84 27.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 33.23 108.962 178.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -159.45 145.16 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.579 -0.737 . . . . 32.61 110.815 -172.973 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.85 130.99 59.28 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.944 -0.571 . . . . 29.97 111.593 167.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.19 143.78 44.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.252 0.345 . . . . 34.76 110.331 168.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.1 mt -110.8 150.07 29.64 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 122.965 0.166 . . . . 31.64 110.635 171.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.76 129.28 46.63 Favored 'General case' 0 C--O 1.252 1.2 0 N-CA-C 107.112 -1.44 . . . . 28.22 107.112 168.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.01 135.06 52.41 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.53 1.144 . . . . 39.02 110.843 -174.654 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.06 95.27 5.37 Favored 'General case' 0 C--O 1.261 1.699 0 N-CA-C 101.734 -3.432 . . . . 38.33 101.734 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.1 -121.24 25.86 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 108.908 -1.677 . . . . 37.2 108.908 -167.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.29 -8.39 51.02 Favored 'General case' 0 C--O 1.201 -1.47 0 C-N-CA 120.171 -0.612 . . . . 48.38 111.829 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.68 126.09 29.52 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 117.489 -1.243 . . . . 32.0 111.817 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.29 111.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.135 0 CA-C-N 119.845 1.202 . . . . 33.49 108.884 172.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.309 5.5 m -115.08 -6.68 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 112.918 0.71 . . . . 31.47 112.918 -172.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.01 154.19 24.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.606 -1.798 . . . . 29.98 108.606 -172.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.78 145.13 29.82 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 108.827 -0.805 . . . . 30.79 108.827 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.47 140.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 106.475 -1.676 . . . . 26.36 106.475 164.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -136.69 121.1 18.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.886 1.327 . . . . 28.72 109.227 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 mt -106.73 146.78 30.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.666 -1.152 . . . . 27.7 109.925 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.77 167.28 24.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 124.886 1.275 . . . . 25.89 110.419 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.85 -167.28 18.29 Favored Glycine 0 N--CA 1.476 1.357 0 N-CA-C 109.723 -1.351 . . . . 27.39 109.723 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -87.13 -16.53 35.18 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 120.165 -0.614 . . . . 30.26 111.849 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.73 1.29 89.09 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 117.933 0.333 . . . . 31.22 113.18 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -129.89 -62.45 0.95 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-N 117.117 0.459 . . . . 38.04 111.867 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.73 -28.92 25.94 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.891 0.7 . . . . 36.65 112.891 173.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -147.79 129.95 15.52 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 124.089 0.868 . . . . 38.27 112.689 -172.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.6 t -131.52 136.37 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 C-N-CA 126.379 1.871 . . . . 29.09 107.881 175.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.9 134.75 50.39 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 106.702 -1.592 . . . . 35.78 106.702 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.9 t -82.73 97.64 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 103.342 -2.836 . . . . 26.51 103.342 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -82.43 -50.98 8.28 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 112.706 0.632 . . . . 33.63 112.706 -171.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -123.98 132.67 53.74 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.884 -1.154 . . . . 28.58 107.884 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 tp -133.9 111.85 10.8 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.396 -0.964 . . . . 27.97 108.396 165.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 87.5 mt -131.75 127.88 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.2 -1.037 . . . . 32.73 108.2 -172.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -121.29 138.32 52.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 107.111 -1.44 . . . . 32.95 107.111 161.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 92.7 mt -51.06 125.91 24.69 Favored Pre-proline 0 N--CA 1.493 1.688 0 C-N-CA 119.452 -0.899 . . . . 33.87 110.132 169.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.11 -9.4 12.29 Favored 'Trans proline' 0 CA--C 1.476 -2.421 0 C-N-CA 123.128 2.552 . . . . 40.84 109.178 -172.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . 0.251 5.0 p -84.11 -26.7 28.73 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.971 0.794 . . . . 44.12 112.541 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' O ' ' CB ' ' A' ' 79' ' ' GLN . 43.0 m-85 -89.27 -150.46 0.2 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 105.669 -1.974 . . . . 47.7 105.669 170.237 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLN . . . . . 0.598 ' CB ' ' O ' ' A' ' 78' ' ' TYR . 47.4 mt-30 93.25 162.96 0.03 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.526 1.057 . . . . 59.91 111.499 174.161 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 55.57 14.2 1.16 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.382 1.253 . . . . 71.49 114.382 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -122.97 27.06 7.85 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 121.801 0.81 . . . . 59.41 111.871 171.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.32 15.82 79.37 Favored Glycine 0 C--O 1.211 -1.33 0 CA-C-O 118.508 -1.162 . . . . 49.08 115.786 169.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.79 -48.81 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.258 1.029 . . . . 40.08 113.142 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.0 89.95 Favored Glycine 0 C--O 1.192 -2.52 0 CA-C-O 118.016 -1.436 . . . . 33.28 110.42 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 m -59.54 -48.36 81.97 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 119.336 1.568 . . . . 40.15 114.115 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 m -56.3 -50.07 72.48 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.162 -1.381 . . . . 39.16 111.206 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.27 -48.19 77.07 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 124.251 0.97 . . . . 27.91 111.731 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' MSE . . . . . . . . . . . . . 70.6 mmm -59.75 -50.4 73.99 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.448 -1.251 . . . . 29.89 111.877 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -63.8 -43.02 97.54 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.293 0.849 . . . . 49.13 113.293 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.98 -46.6 74.11 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.912 1.819 . . . . 49.81 115.912 174.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.09 -47.91 72.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 118.821 -1.152 . . . . 29.57 110.979 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.84 -19.6 61.95 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.574 0.583 . . . . 33.34 112.574 -174.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.7 -27.2 54.99 Favored Glycine 0 C--O 1.257 1.582 0 O-C-N 123.675 0.609 . . . . 37.74 113.329 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -75.44 -9.44 58.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.768 1.025 . . . . 42.7 113.768 174.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.44 31.46 2.86 Favored 'General case' 0 CA--C 1.488 -1.428 0 C-N-CA 119.134 -1.026 . . . . 36.31 111.923 -166.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' CG ' ' O ' ' A' ' 140' ' ' HOH . 4.3 pttm -69.2 -15.78 63.46 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.88 1.362 . . . . 52.62 114.666 -170.844 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -108.89 0.89 20.45 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 118.44 -0.79 . . . . 57.47 112.392 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.37 134.9 45.61 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.9 -1.148 . . . . 32.07 107.9 175.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . 0.286 77.4 t80 -52.99 -53.89 43.3 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 115.238 1.569 . . . . 51.85 115.238 -176.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -129.98 135.89 48.81 Favored 'General case' 0 CA--C 1.497 -1.091 0 O-C-N 121.689 -0.632 . . . . 43.16 109.418 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.3 t -123.5 127.79 74.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 106.863 -1.532 . . . . 25.88 106.863 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -136.09 173.3 11.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 112.981 0.734 . . . . 37.51 112.981 -174.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 pp -163.35 165.8 23.67 Favored 'General case' 0 C--O 1.273 2.31 0 N-CA-C 104.391 -2.448 . . . . 26.49 104.391 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.79 136.03 46.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 103.899 -2.63 . . . . 26.1 103.899 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.8 t -139.63 158.62 43.82 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 113.479 0.918 . . . . 29.66 113.479 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.65 135.56 57.42 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 108.175 -1.046 . . . . 48.89 108.175 167.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -89.42 72.4 7.99 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 116.777 -1.969 . . . . 42.98 110.02 -169.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.6 p -106.87 158.59 16.89 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.622 1.201 . . . . 34.65 111.915 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -55.31 -39.37 69.86 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.31 -0.859 . . . . 54.17 111.714 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -67.17 -46.84 72.75 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 114.154 1.168 . . . . 52.82 114.154 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.53 -46.66 72.16 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 115.749 -0.66 . . . . 38.45 109.667 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.8 t -69.01 -43.38 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 107.705 -1.221 . . . . 29.42 107.705 -173.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.73 98.91 Favored Glycine 0 C--N 1.347 1.182 0 N-CA-C 110.461 -1.056 . . . . 29.73 110.461 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -62.22 -50.38 72.01 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 114.36 1.244 . . . . 35.95 114.36 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -65.41 -35.37 80.74 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.091 0.774 . . . . 33.48 113.091 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -62.21 -36.94 83.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 119.925 -0.71 . . . . 31.63 110.253 172.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 p -67.99 -20.24 65.01 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.669 -0.863 . . . . 33.12 108.669 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' MSE . . . . . . . . . . . . . 32.4 mmt -90.57 -0.56 57.72 Favored 'General case' 0 C--O 1.192 -1.957 0 CA-C-O 119.012 -0.518 . . . . 34.41 110.624 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.17 9.86 55.21 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.759 -1.21 . . . . 29.46 114.105 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -96.15 148.48 22.66 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.035 0.934 . . . . 27.64 109.214 178.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -128.57 149.46 50.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.592 1.157 . . . . 29.44 109.407 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 28.3 pt -72.11 145.76 11.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 N-CA-C 109.611 -0.514 . . . . 30.24 109.611 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.73 -32.79 74.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.001 1.111 . . . . 27.97 114.001 -172.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 93.6 p -57.89 -25.79 61.27 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 114.363 1.245 . . . . 34.93 114.363 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 97.0 m -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 107.606 -1.257 . . . . 30.31 107.606 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -99.45 18.08 18.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 117.241 2.311 . . . . 34.0 117.241 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 52.8 40.5 30.72 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 115.3 1.592 . . . . 39.97 115.3 -171.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.8 m -119.08 163.66 16.67 Favored 'General case' 0 C--O 1.267 1.975 0 O-C-N 124.033 0.833 . . . . 33.98 108.82 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.1 t -145.06 145.17 31.34 Favored 'General case' 0 C--O 1.266 1.945 0 CA-C-N 115.293 -0.867 . . . . 25.49 111.962 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.06 154.35 39.06 Favored Glycine 0 C--N 1.35 1.327 0 N-CA-C 107.293 -2.323 . . . . 23.34 107.293 165.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' MSE . . . . . . . . . . . . . 65.8 mtp -140.44 153.74 46.39 Favored 'General case' 0 C--O 1.252 1.232 0 N-CA-C 104.386 -2.45 . . . . 24.49 104.386 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 tt -133.19 142.53 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.952 -1.129 . . . . 29.6 107.952 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -74.53 115.05 13.63 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.973 -1.492 . . . . 33.61 106.973 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . 0.335 2.8 pp -107.8 -36.88 3.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 C-N-CA 119.923 -0.711 . . . . 42.66 111.545 179.188 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -113.0 105.92 14.06 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.476 -0.765 . . . . 44.66 109.645 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -92.32 7.06 44.52 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.819 2.155 . . . . 42.03 116.819 -175.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 115.037 1.495 . . . . 63.6 115.037 173.056 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . 0.449 ' O ' ' CG ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . 0.43 ' O ' ' O ' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . 1.445 ' CE ' 'SE ' ' A' ' 1' ' ' MSE . 5.5 ttm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 111.746 0.276 . . . . 89.68 111.746 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.98 134.34 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 115.074 1.509 . . . . 52.48 115.074 -176.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.4 m -105.3 134.19 48.82 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.908 -1.042 . . . . 43.11 108.525 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm -109.3 116.87 53.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 105.984 -1.858 . . . . 38.17 105.984 171.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.48 123.49 39.32 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 124.942 1.401 . . . . 50.36 113.59 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -64.8 136.2 56.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.308 -1.315 . . . . 49.49 110.755 169.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . 0.998 ' HG2' HG22 ' A' ' 10' ' ' VAL . 8.5 tp60 -118.95 132.28 56.07 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.872 1.269 . . . . 48.1 112.035 -176.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.08 -48.93 5.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.386 0.613 . . . . 64.71 112.227 176.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -112.86 123.77 68.85 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 121.634 0.731 . . . . 52.05 110.076 169.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . 0.998 HG22 ' HG2' ' A' ' 7' ' ' GLN . 28.1 t -121.49 117.81 53.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 N-CA-C 107.086 -1.449 . . . . 45.01 107.086 174.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -91.16 141.72 28.51 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 125.158 1.537 . . . . 57.62 108.23 175.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.606 HD11 HD13 ' A' ' 16' ' ' LEU . 20.7 tp -59.11 -40.76 86.36 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 113.972 1.101 . . . . 48.05 113.972 -174.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 179' ' ' HOH . 2.9 mp0 -47.6 -40.95 20.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.292 0.849 . . . . 63.53 113.292 176.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -74.42 -18.04 60.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.665 0.617 . . . . 50.91 112.665 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -121.78 -4.23 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 115.378 1.621 . . . . 40.22 115.378 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.606 HD13 HD11 ' A' ' 12' ' ' LEU . 31.9 tp -58.71 -37.41 76.06 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.283 0.364 . . . . 41.39 111.76 -174.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -53.82 -33.49 56.29 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.739 1.015 . . . . 36.07 113.739 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.4 mt -68.03 -48.79 64.71 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 121.056 -1.027 . . . . 33.1 111.212 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . 1.026 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 97.4 m-85 -63.91 -46.55 84.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.268 -0.424 . . . . 36.82 110.931 177.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -47.86 -45.51 30.34 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.119 0.415 . . . . 43.62 112.119 166.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.08 -8.39 2.36 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 112.738 0.644 . . . . 49.27 112.738 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.352 35.4 m -123.2 0.94 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.978 1 N-CA-C 122.107 4.114 . . . . 57.13 122.107 179.418 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 1.026 ' HA2' ' O ' ' A' ' 19' ' ' TYR . . . -82.75 -105.94 0.47 Allowed Glycine 0 N--CA 1.5 2.932 1 N-CA-C 102.687 -4.165 . . . . 66.86 102.687 -63.761 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . 1.376 ' HE3' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -172.6 122.38 0.43 Allowed 'General case' 0 CA--C 1.62 3.645 0 CA-C-N 121.239 2.519 . . . . 80.59 111.519 -72.354 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . 1.376 ' N ' ' HE3' ' A' ' 24' ' ' TRP . 18.2 p 111.32 106.61 0.0 OUTLIER 'General case' 1 N--CA 1.66 10.064 0 N-CA-C 121.383 3.845 . . . . 74.25 121.383 -101.046 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 3 C--O 1.371 7.448 1 CA-C-O 106.444 -6.503 . . . . 73.0 112.582 -56.031 . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' LEU 0.279 55.1 mp0 . . . . . 0 CA--C 1.566 1.591 0 N-CA-C 119.072 2.99 . . . . 61.06 119.072 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' MSE . . . . . . . . . . . . . 37.3 mmt -39.28 -35.3 0.25 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 111.795 -2.457 . . . . 46.25 113.226 136.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' A' ' 32' ' ' GLU . 40.1 tp -63.97 -44.07 93.85 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.307 0.855 . . . . 46.59 113.307 -169.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -51.9 -50.15 61.62 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.724 0.773 . . . . 51.62 111.537 172.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -63.86 -43.9 94.71 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.827 0.677 . . . . 54.31 112.827 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.78 73.89 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.677 0.991 . . . . 37.61 113.677 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.64 -26.55 22.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.515 0.931 . . . . 40.52 113.515 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -85.83 -12.24 51.33 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.367 0.877 . . . . 44.81 113.367 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -122.44 28.56 7.34 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.487 0.661 . . . . 42.41 111.741 -168.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.8 m -100.62 165.33 11.46 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 107.194 -1.41 . . . . 31.79 107.194 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt -78.17 -43.84 27.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 33.23 108.962 178.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -159.45 145.16 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.579 -0.737 . . . . 32.61 110.815 -172.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.85 130.99 59.28 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.944 -0.571 . . . . 29.97 111.593 167.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.19 143.78 44.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.252 0.345 . . . . 34.76 110.331 168.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.1 mt -110.8 150.07 29.64 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 122.965 0.166 . . . . 31.64 110.635 171.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.76 129.28 46.63 Favored 'General case' 0 C--O 1.252 1.2 0 N-CA-C 107.112 -1.44 . . . . 28.22 107.112 168.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.01 135.06 52.41 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.53 1.144 . . . . 39.02 110.843 -174.654 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.06 95.27 5.37 Favored 'General case' 0 C--O 1.261 1.699 0 N-CA-C 101.734 -3.432 . . . . 38.33 101.734 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.1 -121.24 25.86 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 108.908 -1.677 . . . . 37.2 108.908 -167.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.29 -8.39 51.02 Favored 'General case' 0 C--O 1.201 -1.47 0 C-N-CA 120.171 -0.612 . . . . 48.38 111.829 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.68 126.09 29.52 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 117.489 -1.243 . . . . 32.0 111.817 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.29 111.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.135 0 CA-C-N 119.845 1.202 . . . . 33.49 108.884 172.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.309 5.5 m -115.08 -6.68 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 112.918 0.71 . . . . 31.47 112.918 -172.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.01 154.19 24.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.606 -1.798 . . . . 29.98 108.606 -172.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.78 145.13 29.82 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 108.827 -0.805 . . . . 30.79 108.827 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.47 140.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 106.475 -1.676 . . . . 26.36 106.475 164.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -136.69 121.1 18.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.886 1.327 . . . . 28.72 109.227 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 mt -106.73 146.78 30.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.666 -1.152 . . . . 27.7 109.925 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.77 167.28 24.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 124.886 1.275 . . . . 25.89 110.419 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.85 -167.28 18.29 Favored Glycine 0 N--CA 1.476 1.357 0 N-CA-C 109.723 -1.351 . . . . 27.39 109.723 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -87.13 -16.53 35.18 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 120.165 -0.614 . . . . 30.26 111.849 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.73 1.29 89.09 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 117.933 0.333 . . . . 31.22 113.18 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -129.89 -62.45 0.95 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-N 117.117 0.459 . . . . 38.04 111.867 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.73 -28.92 25.94 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.891 0.7 . . . . 36.65 112.891 173.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -147.79 129.95 15.52 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 124.089 0.868 . . . . 38.27 112.689 -172.212 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.6 t -131.52 136.37 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 C-N-CA 126.379 1.871 . . . . 29.09 107.881 175.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.9 134.75 50.39 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 106.702 -1.592 . . . . 35.78 106.702 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.9 t -82.73 97.64 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 103.342 -2.836 . . . . 26.51 103.342 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -82.43 -50.98 8.28 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 112.706 0.632 . . . . 33.63 112.706 -171.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -123.98 132.67 53.74 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.884 -1.154 . . . . 28.58 107.884 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 tp -133.9 111.85 10.8 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.396 -0.964 . . . . 27.97 108.396 165.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 87.5 mt -131.75 127.88 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.2 -1.037 . . . . 32.73 108.2 -172.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -121.29 138.32 52.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 107.111 -1.44 . . . . 32.95 107.111 161.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 92.7 mt -51.06 125.91 24.69 Favored Pre-proline 0 N--CA 1.493 1.688 0 C-N-CA 119.452 -0.899 . . . . 33.87 110.132 169.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . 0.644 ' HG2' ' O ' ' A' ' 159' ' ' HOH . 51.7 Cg_exo -61.11 -9.4 12.29 Favored 'Trans proline' 0 CA--C 1.476 -2.421 0 C-N-CA 123.128 2.552 . . . . 40.84 109.178 -172.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . 0.251 5.0 p -84.11 -26.7 28.73 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.971 0.794 . . . . 44.12 112.541 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . 0.912 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 43.0 m-85 -89.27 -150.46 0.2 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 105.669 -1.974 . . . . 47.7 105.669 170.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLN . . . . . 0.912 ' HB2' ' O ' ' A' ' 78' ' ' TYR . 47.4 mt-30 93.25 162.96 0.03 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.526 1.057 . . . . 59.91 111.499 174.161 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 55.57 14.2 1.16 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.382 1.253 . . . . 71.49 114.382 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -122.97 27.06 7.85 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 121.801 0.81 . . . . 59.41 111.871 171.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.32 15.82 79.37 Favored Glycine 0 C--O 1.211 -1.33 0 CA-C-O 118.508 -1.162 . . . . 49.08 115.786 169.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.79 -48.81 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.258 1.029 . . . . 40.08 113.142 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.0 89.95 Favored Glycine 0 C--O 1.192 -2.52 0 CA-C-O 118.016 -1.436 . . . . 33.28 110.42 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 m -59.54 -48.36 81.97 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 119.336 1.568 . . . . 40.15 114.115 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 m -56.3 -50.07 72.48 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.162 -1.381 . . . . 39.16 111.206 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.27 -48.19 77.07 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 124.251 0.97 . . . . 27.91 111.731 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' MSE . . . . . . . . . . . . . 70.6 mmm -59.75 -50.4 73.99 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.448 -1.251 . . . . 29.89 111.877 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -63.8 -43.02 97.54 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.293 0.849 . . . . 49.13 113.293 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.98 -46.6 74.11 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.912 1.819 . . . . 49.81 115.912 174.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.09 -47.91 72.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 118.821 -1.152 . . . . 29.57 110.979 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.84 -19.6 61.95 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.574 0.583 . . . . 33.34 112.574 -174.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.7 -27.2 54.99 Favored Glycine 0 C--O 1.257 1.582 0 O-C-N 123.675 0.609 . . . . 37.74 113.329 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -75.44 -9.44 58.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.768 1.025 . . . . 42.7 113.768 174.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.44 31.46 2.86 Favored 'General case' 0 CA--C 1.488 -1.428 0 C-N-CA 119.134 -1.026 . . . . 36.31 111.923 -166.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.805 ' HG2' ' O ' ' A' ' 140' ' ' HOH . 4.3 pttm -69.2 -15.78 63.46 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.88 1.362 . . . . 52.62 114.666 -170.844 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -108.89 0.89 20.45 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 118.44 -0.79 . . . . 57.47 112.392 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.37 134.9 45.61 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.9 -1.148 . . . . 32.07 107.9 175.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' CD2' ' HG3' ' A' ' 100' ' ' GLN 0.286 77.4 t80 -52.99 -53.89 43.3 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 115.238 1.569 . . . . 51.85 115.238 -176.08 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLN . . . . . 0.404 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 89.2 mt-30 -129.98 135.89 48.81 Favored 'General case' 0 CA--C 1.497 -1.091 0 O-C-N 121.689 -0.632 . . . . 43.16 109.418 175.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.3 t -123.5 127.79 74.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 106.863 -1.532 . . . . 25.88 106.863 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -136.09 173.3 11.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 112.981 0.734 . . . . 37.51 112.981 -174.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 pp -163.35 165.8 23.67 Favored 'General case' 0 C--O 1.273 2.31 0 N-CA-C 104.391 -2.448 . . . . 26.49 104.391 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.79 136.03 46.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 103.899 -2.63 . . . . 26.1 103.899 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.8 t -139.63 158.62 43.82 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 113.479 0.918 . . . . 29.66 113.479 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.65 135.56 57.42 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 108.175 -1.046 . . . . 48.89 108.175 167.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -89.42 72.4 7.99 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 116.777 -1.969 . . . . 42.98 110.02 -169.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.6 p -106.87 158.59 16.89 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.622 1.201 . . . . 34.65 111.915 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -55.31 -39.37 69.86 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.31 -0.859 . . . . 54.17 111.714 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -67.17 -46.84 72.75 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 114.154 1.168 . . . . 52.82 114.154 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.53 -46.66 72.16 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 115.749 -0.66 . . . . 38.45 109.667 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.8 t -69.01 -43.38 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 107.705 -1.221 . . . . 29.42 107.705 -173.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.73 98.91 Favored Glycine 0 C--N 1.347 1.182 0 N-CA-C 110.461 -1.056 . . . . 29.73 110.461 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -62.22 -50.38 72.01 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 114.36 1.244 . . . . 35.95 114.36 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -65.41 -35.37 80.74 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.091 0.774 . . . . 33.48 113.091 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 120' ' ' PHE . 45.0 mtt180 -62.21 -36.94 83.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 119.925 -0.71 . . . . 31.63 110.253 172.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 p -67.99 -20.24 65.01 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.669 -0.863 . . . . 33.12 108.669 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' MSE . . . . . . . . . . . . . 32.4 mmt -90.57 -0.56 57.72 Favored 'General case' 0 C--O 1.192 -1.957 0 CA-C-O 119.012 -0.518 . . . . 34.41 110.624 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.17 9.86 55.21 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.759 -1.21 . . . . 29.46 114.105 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' ARG . 35.5 m-85 -96.15 148.48 22.66 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.035 0.934 . . . . 27.64 109.214 178.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -128.57 149.46 50.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.592 1.157 . . . . 29.44 109.407 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 28.3 pt -72.11 145.76 11.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 N-CA-C 109.611 -0.514 . . . . 30.24 109.611 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.73 -32.79 74.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.001 1.111 . . . . 27.97 114.001 -172.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 93.6 p -57.89 -25.79 61.27 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 114.363 1.245 . . . . 34.93 114.363 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 97.0 m -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 107.606 -1.257 . . . . 30.31 107.606 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -99.45 18.08 18.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 117.241 2.311 . . . . 34.0 117.241 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 52.8 40.5 30.72 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 115.3 1.592 . . . . 39.97 115.3 -171.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.8 m -119.08 163.66 16.67 Favored 'General case' 0 C--O 1.267 1.975 0 O-C-N 124.033 0.833 . . . . 33.98 108.82 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.1 t -145.06 145.17 31.34 Favored 'General case' 0 C--O 1.266 1.945 0 CA-C-N 115.293 -0.867 . . . . 25.49 111.962 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.06 154.35 39.06 Favored Glycine 0 C--N 1.35 1.327 0 N-CA-C 107.293 -2.323 . . . . 23.34 107.293 165.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' MSE . . . . . . . . . . . . . 65.8 mtp -140.44 153.74 46.39 Favored 'General case' 0 C--O 1.252 1.232 0 N-CA-C 104.386 -2.45 . . . . 24.49 104.386 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 tt -133.19 142.53 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.952 -1.129 . . . . 29.6 107.952 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -74.53 115.05 13.63 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.973 -1.492 . . . . 33.61 106.973 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . 0.335 2.8 pp -107.8 -36.88 3.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 C-N-CA 119.923 -0.711 . . . . 42.66 111.545 179.188 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -113.0 105.92 14.06 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.476 -0.765 . . . . 44.66 109.645 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -92.32 7.06 44.52 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.819 2.155 . . . . 42.03 116.819 -175.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 115.037 1.495 . . . . 63.6 115.037 173.056 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . 0.805 ' O ' ' HG2' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . 0.644 ' O ' ' HG2' ' A' ' 76' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . 0.43 ' O ' ' O ' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . 1.445 ' CE ' 'SE ' ' A' ' 1' ' ' MSE . 5.5 ttm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 111.746 0.276 . . . . 89.68 111.746 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -101.98 134.34 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 115.074 1.509 . . . . 52.48 115.074 -176.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 88.4 m -105.3 134.19 48.82 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.908 -1.042 . . . . 43.11 108.525 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.0 mm -109.3 116.87 53.19 Favored 'Isoleucine or valine' 0 C--O 1.253 1.257 0 N-CA-C 105.984 -1.858 . . . . 38.17 105.984 171.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.48 123.49 39.32 Favored 'General case' 0 C--O 1.258 1.538 0 O-C-N 124.942 1.401 . . . . 50.36 113.59 -176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -64.8 136.2 56.63 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 114.308 -1.315 . . . . 49.49 110.755 169.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.998 ' HG2' HG22 ' A' ' 10' ' ' VAL . 1.5 tp-100 -118.95 132.28 56.07 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.872 1.269 . . . . 48.1 112.035 -176.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -95.08 -48.93 5.75 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.386 0.613 . . . . 64.71 112.227 176.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -112.86 123.77 68.85 Favored 'Isoleucine or valine' 0 C--O 1.247 0.942 0 CA-C-O 121.634 0.731 . . . . 52.05 110.076 169.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.998 HG22 ' HG2' ' A' ' 7' ' ' GLN . 28.1 t -121.49 117.81 53.85 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.772 0 N-CA-C 107.086 -1.449 . . . . 45.01 107.086 174.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -91.16 141.72 28.51 Favored 'General case' 0 C--O 1.222 -0.369 0 O-C-N 125.158 1.537 . . . . 57.62 108.23 175.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.606 HD11 HD13 ' A' ' 16' ' ' LEU . 20.7 tp -59.11 -40.76 86.36 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 113.972 1.101 . . . . 48.05 113.972 -174.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' A' ' 179' ' ' HOH . 2.9 mp0 -47.6 -40.95 20.64 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 113.292 0.849 . . . . 63.53 113.292 176.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -74.42 -18.04 60.71 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.665 0.617 . . . . 50.91 112.665 -177.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -121.78 -4.23 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 N-CA-C 115.378 1.621 . . . . 40.22 115.378 -178.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.606 HD13 HD11 ' A' ' 12' ' ' LEU . 31.9 tp -58.71 -37.41 76.06 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 123.283 0.364 . . . . 41.39 111.76 -174.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -53.82 -33.49 56.29 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 113.739 1.015 . . . . 36.07 113.739 173.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.4 mt -68.03 -48.79 64.71 Favored 'General case' 0 CA--C 1.562 1.434 0 O-C-N 121.056 -1.027 . . . . 33.1 111.212 178.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . 1.026 ' O ' ' HA2' ' A' ' 23' ' ' GLY . 97.4 m-85 -63.91 -46.55 84.32 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 116.268 -0.424 . . . . 36.82 110.931 177.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -47.86 -45.51 30.34 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 112.119 0.415 . . . . 43.62 112.119 166.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.08 -8.39 2.36 Favored 'General case' 0 C--O 1.249 1.078 0 N-CA-C 112.738 0.644 . . . . 49.27 112.738 -178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.352 35.4 m -123.2 0.94 6.06 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.978 1 N-CA-C 122.107 4.114 . . . . 57.13 122.107 179.418 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 1.026 ' HA2' ' O ' ' A' ' 19' ' ' TYR . . . -82.75 -105.94 0.47 Allowed Glycine 0 N--CA 1.5 2.932 1 N-CA-C 102.687 -4.165 . . . . 66.86 102.687 -63.761 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . 1.376 ' HE3' ' N ' ' A' ' 25' ' ' THR . 0.0 OUTLIER -172.6 122.38 0.43 Allowed 'General case' 0 CA--C 1.62 3.645 0 CA-C-N 121.239 2.519 . . . . 80.59 111.519 -72.354 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . 1.376 ' N ' ' HE3' ' A' ' 24' ' ' TRP . 18.2 p 111.32 106.61 0.0 OUTLIER 'General case' 1 N--CA 1.66 10.064 0 N-CA-C 121.383 3.845 . . . . 74.25 121.383 -101.046 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 . . . . . 3 C--O 1.371 7.448 1 CA-C-O 106.444 -6.503 . . . . 73.0 112.582 -56.031 . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' A' ' 34' ' ' LEU 0.279 55.1 mp0 . . . . . 0 CA--C 1.566 1.591 0 N-CA-C 119.072 2.99 . . . . 61.06 119.072 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' MSE . . . . . . . . . . . . . 37.3 mmt -39.28 -35.3 0.25 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 111.795 -2.457 . . . . 46.25 113.226 136.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' H ' ' HB3' ' A' ' 32' ' ' GLU . 40.1 tp -63.97 -44.07 93.85 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 113.307 0.855 . . . . 46.59 113.307 -169.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -51.9 -50.15 61.62 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.724 0.773 . . . . 51.62 111.537 172.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' O ' ' HD2' ' A' ' 40' ' ' HIS . 20.5 mm100 -63.86 -43.9 94.71 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 112.827 0.677 . . . . 54.31 112.827 174.47 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.66 -45.78 73.89 Favored 'General case' 0 N--CA 1.485 1.275 0 N-CA-C 113.677 0.991 . . . . 37.61 113.677 -179.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -53.64 -26.55 22.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 113.515 0.931 . . . . 40.52 113.515 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.9 m -85.83 -12.24 51.33 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.367 0.877 . . . . 44.81 113.367 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.47 ' HD2' ' O ' ' A' ' 36' ' ' GLN . 96.8 m-70 -122.44 28.56 7.34 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 121.487 0.661 . . . . 42.41 111.741 -168.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 40.8 m -100.62 165.33 11.46 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 107.194 -1.41 . . . . 31.79 107.194 -178.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 49.3 mt -78.17 -43.84 27.53 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.962 -0.755 . . . . 33.23 108.962 178.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -159.45 145.16 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 115.579 -0.737 . . . . 32.61 110.815 -172.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mt -132.85 130.99 59.28 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 115.944 -0.571 . . . . 29.97 111.593 167.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -115.19 143.78 44.7 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 123.252 0.345 . . . . 34.76 110.331 168.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 68.1 mt -110.8 150.07 29.64 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 122.965 0.166 . . . . 31.64 110.635 171.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -100.76 129.28 46.63 Favored 'General case' 0 C--O 1.252 1.2 0 N-CA-C 107.112 -1.44 . . . . 28.22 107.112 168.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.01 135.06 52.41 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 124.53 1.144 . . . . 39.02 110.843 -174.654 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.06 95.27 5.37 Favored 'General case' 0 C--O 1.261 1.699 0 N-CA-C 101.734 -3.432 . . . . 38.33 101.734 174.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 61.1 -121.24 25.86 Favored Glycine 0 C--N 1.344 0.996 0 N-CA-C 108.908 -1.677 . . . . 37.2 108.908 -167.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.29 -8.39 51.02 Favored 'General case' 0 C--O 1.201 -1.47 0 C-N-CA 120.171 -0.612 . . . . 48.38 111.829 175.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.68 126.09 29.52 Favored 'General case' 0 N--CA 1.51 2.572 0 CA-C-O 117.489 -1.243 . . . . 32.0 111.817 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.29 111.43 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.135 0 CA-C-N 119.845 1.202 . . . . 33.49 108.884 172.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . 0.309 5.5 m -115.08 -6.68 12.02 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.505 0 N-CA-C 112.918 0.71 . . . . 31.47 112.918 -172.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -164.01 154.19 24.94 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 108.606 -1.798 . . . . 29.98 108.606 -172.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -146.78 145.13 29.82 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 108.827 -0.805 . . . . 30.79 108.827 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.1 tt -128.47 140.03 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.887 0 N-CA-C 106.475 -1.676 . . . . 26.36 106.475 164.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 57.0 ttp85 -136.69 121.1 18.13 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-O 122.886 1.327 . . . . 28.72 109.227 179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 33.4 mt -106.73 146.78 30.41 Favored 'General case' 0 CA--C 1.493 -1.222 0 CA-C-N 114.666 -1.152 . . . . 27.7 109.925 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 34.5 m -136.77 167.28 24.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 124.886 1.275 . . . . 25.89 110.419 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.85 -167.28 18.29 Favored Glycine 0 N--CA 1.476 1.357 0 N-CA-C 109.723 -1.351 . . . . 27.39 109.723 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -87.13 -16.53 35.18 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 120.165 -0.614 . . . . 30.26 111.849 -177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.73 1.29 89.09 Favored Glycine 0 N--CA 1.439 -1.138 0 CA-C-N 117.933 0.333 . . . . 31.22 113.18 175.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -129.89 -62.45 0.95 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-N 117.117 0.459 . . . . 38.04 111.867 -176.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.7 m -84.73 -28.92 25.94 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 112.891 0.7 . . . . 36.65 112.891 173.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 84.6 p -147.79 129.95 15.52 Favored 'General case' 0 C--O 1.251 1.143 0 O-C-N 124.089 0.868 . . . . 38.27 112.689 -172.212 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 73.6 t -131.52 136.37 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.368 0 C-N-CA 126.379 1.871 . . . . 29.09 107.881 175.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -126.9 134.75 50.39 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 106.702 -1.592 . . . . 35.78 106.702 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.9 t -82.73 97.64 4.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 103.342 -2.836 . . . . 26.51 103.342 176.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 46.0 tp60 -82.43 -50.98 8.28 Favored 'General case' 0 C--O 1.244 0.814 0 N-CA-C 112.706 0.632 . . . . 33.63 112.706 -171.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -123.98 132.67 53.74 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 107.884 -1.154 . . . . 28.58 107.884 176.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 52.3 tp -133.9 111.85 10.8 Favored 'General case' 0 C--O 1.25 1.131 0 N-CA-C 108.396 -0.964 . . . . 27.97 108.396 165.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 87.5 mt -131.75 127.88 59.45 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.88 0 N-CA-C 108.2 -1.037 . . . . 32.73 108.2 -172.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 47.6 t -121.29 138.32 52.05 Favored 'Isoleucine or valine' 0 C--O 1.256 1.395 0 N-CA-C 107.111 -1.44 . . . . 32.95 107.111 161.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 92.7 mt -51.06 125.91 24.69 Favored Pre-proline 0 N--CA 1.493 1.688 0 C-N-CA 119.452 -0.899 . . . . 33.87 110.132 169.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.644 ' HG2' ' O ' ' A' ' 159' ' ' HOH . 51.7 Cg_exo -61.11 -9.4 12.29 Favored 'Trans proline' 0 CA--C 1.476 -2.421 0 C-N-CA 123.128 2.552 . . . . 40.84 109.178 -172.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . 0.251 5.0 p -84.11 -26.7 28.73 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 123.971 0.794 . . . . 44.12 112.541 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.912 ' O ' ' HB2' ' A' ' 79' ' ' GLN . 43.0 m-85 -89.27 -150.46 0.2 Allowed 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 105.669 -1.974 . . . . 47.7 105.669 170.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.912 ' HB2' ' O ' ' A' ' 78' ' ' TYR . 47.4 mt-30 93.25 162.96 0.03 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 CA-C-N 119.526 1.057 . . . . 59.91 111.499 174.161 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 67.6 mtt85 55.57 14.2 1.16 Allowed 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.382 1.253 . . . . 71.49 114.382 -173.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -122.97 27.06 7.85 Favored 'General case' 0 C--O 1.26 1.606 0 CA-C-O 121.801 0.81 . . . . 59.41 111.871 171.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.32 15.82 79.37 Favored Glycine 0 C--O 1.211 -1.33 0 CA-C-O 118.508 -1.162 . . . . 49.08 115.786 169.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.79 -48.81 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 CA-C-N 118.258 1.029 . . . . 40.08 113.142 176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.39 -44.0 89.95 Favored Glycine 0 C--O 1.192 -2.52 0 CA-C-O 118.016 -1.436 . . . . 33.28 110.42 174.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.4 m -59.54 -48.36 81.97 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-N 119.336 1.568 . . . . 40.15 114.115 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 m -56.3 -50.07 72.48 Favored 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.162 -1.381 . . . . 39.16 111.206 177.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.0 mt -56.27 -48.19 77.07 Favored 'General case' 0 CA--C 1.571 1.787 0 O-C-N 124.251 0.97 . . . . 27.91 111.731 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' MSE . . . . . . . . . . . . . 70.6 mmm -59.75 -50.4 73.99 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 114.448 -1.251 . . . . 29.89 111.877 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -63.8 -43.02 97.54 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.293 0.849 . . . . 49.13 113.293 -178.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.98 -46.6 74.11 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 115.912 1.819 . . . . 49.81 115.912 174.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.09 -47.91 72.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 118.821 -1.152 . . . . 29.57 110.979 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.4 mt -71.84 -19.6 61.95 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.574 0.583 . . . . 33.34 112.574 -174.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -56.7 -27.2 54.99 Favored Glycine 0 C--O 1.257 1.582 0 O-C-N 123.675 0.609 . . . . 37.74 113.329 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -75.44 -9.44 58.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.768 1.025 . . . . 42.7 113.768 174.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -136.44 31.46 2.86 Favored 'General case' 0 CA--C 1.488 -1.428 0 C-N-CA 119.134 -1.026 . . . . 36.31 111.923 -166.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.805 ' HG2' ' O ' ' A' ' 140' ' ' HOH . 4.3 pttm -69.2 -15.78 63.46 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 124.88 1.362 . . . . 52.62 114.666 -170.844 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -108.89 0.89 20.45 Favored 'General case' 0 CA--C 1.553 1.076 0 CA-C-O 118.44 -0.79 . . . . 57.47 112.392 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.37 134.9 45.61 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 107.9 -1.148 . . . . 32.07 107.9 175.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.404 ' CD2' ' HG3' ' A' ' 100' ' ' GLN 0.286 77.4 t80 -52.99 -53.89 43.3 Favored 'General case' 0 C--O 1.248 1.0 0 N-CA-C 115.238 1.569 . . . . 51.85 115.238 -176.08 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.404 ' HG3' ' CD2' ' A' ' 99' ' ' TYR . 89.2 mt-30 -129.98 135.89 48.81 Favored 'General case' 0 CA--C 1.497 -1.091 0 O-C-N 121.689 -0.632 . . . . 43.16 109.418 175.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 84.3 t -123.5 127.79 74.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 N-CA-C 106.863 -1.532 . . . . 25.88 106.863 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.9 mt-30 -136.09 173.3 11.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 112.981 0.734 . . . . 37.51 112.981 -174.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 pp -163.35 165.8 23.67 Favored 'General case' 0 C--O 1.273 2.31 0 N-CA-C 104.391 -2.448 . . . . 26.49 104.391 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.79 136.03 46.05 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 103.899 -2.63 . . . . 26.1 103.899 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.8 t -139.63 158.62 43.82 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 113.479 0.918 . . . . 29.66 113.479 -178.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -58.65 135.56 57.42 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 108.175 -1.046 . . . . 48.89 108.175 167.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -89.42 72.4 7.99 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 116.777 -1.969 . . . . 42.98 110.02 -169.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 28.6 p -106.87 158.59 16.89 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 122.622 1.201 . . . . 34.65 111.915 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -55.31 -39.37 69.86 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 115.31 -0.859 . . . . 54.17 111.714 -179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -67.17 -46.84 72.75 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 114.154 1.168 . . . . 52.82 114.154 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -67.53 -46.66 72.16 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-N 115.749 -0.66 . . . . 38.45 109.667 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 46.8 t -69.01 -43.38 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 107.705 -1.221 . . . . 29.42 107.705 -173.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.73 98.91 Favored Glycine 0 C--N 1.347 1.182 0 N-CA-C 110.461 -1.056 . . . . 29.73 110.461 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -62.22 -50.38 72.01 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 114.36 1.244 . . . . 35.95 114.36 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -65.41 -35.37 80.74 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 113.091 0.774 . . . . 33.48 113.091 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 120' ' ' PHE . 45.0 mtt180 -62.21 -36.94 83.5 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 119.925 -0.71 . . . . 31.63 110.253 172.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 p -67.99 -20.24 65.01 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.669 -0.863 . . . . 33.12 108.669 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' MSE . . . . . . . . . . . . . 32.4 mmt -90.57 -0.56 57.72 Favored 'General case' 0 C--O 1.192 -1.957 0 CA-C-O 119.012 -0.518 . . . . 34.41 110.624 177.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 97.17 9.86 55.21 Favored Glycine 0 N--CA 1.486 2.004 0 C-N-CA 119.759 -1.21 . . . . 29.46 114.105 177.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 116' ' ' ARG . 35.5 m-85 -96.15 148.48 22.66 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.035 0.934 . . . . 27.64 109.214 178.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -128.57 149.46 50.61 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.592 1.157 . . . . 29.44 109.407 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 28.3 pt -72.11 145.76 11.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.376 0 N-CA-C 109.611 -0.514 . . . . 30.24 109.611 -178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.2 mt -63.73 -32.79 74.39 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.001 1.111 . . . . 27.97 114.001 -172.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 93.6 p -57.89 -25.79 61.27 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 114.363 1.245 . . . . 34.93 114.363 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 97.0 m -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 107.606 -1.257 . . . . 30.31 107.606 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -99.45 18.08 18.69 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 117.241 2.311 . . . . 34.0 117.241 177.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 52.8 40.5 30.72 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 115.3 1.592 . . . . 39.97 115.3 -171.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' CYS . . . . . . . . . . . . . 84.8 m -119.08 163.66 16.67 Favored 'General case' 0 C--O 1.267 1.975 0 O-C-N 124.033 0.833 . . . . 33.98 108.82 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.1 t -145.06 145.17 31.34 Favored 'General case' 0 C--O 1.266 1.945 0 CA-C-N 115.293 -0.867 . . . . 25.49 111.962 174.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.06 154.35 39.06 Favored Glycine 0 C--N 1.35 1.327 0 N-CA-C 107.293 -2.323 . . . . 23.34 107.293 165.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' MSE . . . . . . . . . . . . . 65.8 mtp -140.44 153.74 46.39 Favored 'General case' 0 C--O 1.252 1.232 0 N-CA-C 104.386 -2.45 . . . . 24.49 104.386 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 14.8 tt -133.19 142.53 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.952 -1.129 . . . . 29.6 107.952 -176.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -74.53 115.05 13.63 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 106.973 -1.492 . . . . 33.61 106.973 -175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . 0.335 2.8 pp -107.8 -36.88 3.37 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.07 0 C-N-CA 119.923 -0.711 . . . . 42.66 111.545 179.188 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -113.0 105.92 14.06 Favored 'General case' 0 N--CA 1.444 -0.748 0 O-C-N 121.476 -0.765 . . . . 44.66 109.645 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -92.32 7.06 44.52 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 116.819 2.155 . . . . 42.03 116.819 -175.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 . . . . . 0 N--CA 1.499 1.985 0 N-CA-C 115.037 1.495 . . . . 63.6 115.037 173.056 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . 0.805 ' O ' ' HG2' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . 0.644 ' O ' ' HG2' ' A' ' 76' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . 0.43 ' O ' ' O ' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_