==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-APR-08 3CZE . COMPND 2 MOLECULE: SUCROSE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. GLYCINES; . AUTHOR M.I.KIM,S.RHEE . 600 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 2 1 4 2 2 0 0 1 1 0 0 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 6 A I 0 0 182 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-170.6 -8.4 87.6 37.5 2 7 A D >> - 0 0 89 3,-0.1 4,-1.7 2,-0.1 3,-0.6 0.995 360.0-156.7 68.4 78.7 -9.8 89.4 34.5 3 8 A P H 3> S+ 0 0 82 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.875 88.2 55.8 -50.7 -50.0 -8.2 87.7 31.4 4 9 A P H 3> S+ 0 0 84 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.873 107.7 50.6 -56.3 -35.7 -8.5 90.6 29.0 5 10 A A H <> S+ 0 0 45 -3,-0.6 4,-2.1 2,-0.2 5,-0.1 0.915 111.9 46.2 -67.4 -43.2 -6.7 92.9 31.4 6 11 A L H X S+ 0 0 13 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.884 110.9 53.3 -66.3 -38.8 -3.8 90.4 31.7 7 12 A R H X S+ 0 0 75 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.903 110.1 48.3 -61.7 -40.7 -3.8 90.0 28.0 8 13 A A H X S+ 0 0 58 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.866 109.1 52.1 -67.5 -38.7 -3.5 93.8 27.6 9 14 A A H < S+ 0 0 34 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.928 114.4 44.0 -62.3 -44.3 -0.7 93.9 30.2 10 15 A F H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 112.8 53.2 -64.3 -44.8 1.1 91.2 28.2 11 16 A A H < S- 0 0 13 -4,-2.8 3,-0.4 -5,-0.2 -2,-0.2 0.819 97.2-151.1 -62.3 -38.3 0.4 93.0 24.9 12 17 A G < - 0 0 23 -4,-2.2 -1,-0.1 1,-0.2 -2,-0.1 -0.240 47.2 -35.4 90.1 178.0 1.8 96.4 25.9 13 18 A P 0 0 147 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.763 360.0 360.0 -43.8 -34.3 0.8 99.9 24.7 14 19 A L 0 0 170 -3,-0.4 -2,-0.0 -6,-0.0 -3,-0.0 0.221 360.0 360.0-148.2 360.0 0.1 98.5 21.2 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 24 A A > 0 0 77 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -5.0 1.9 91.1 17.5 17 25 A E H > + 0 0 142 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.915 360.0 44.7 -59.4 -47.4 -0.8 89.0 15.8 18 26 A V H > S+ 0 0 86 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.948 115.3 47.1 -63.6 -49.6 1.2 85.7 15.9 19 27 A L H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.917 113.7 47.9 -58.7 -46.1 2.4 86.1 19.5 20 28 A L H X S+ 0 0 16 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.813 105.0 58.2 -67.8 -31.9 -1.1 87.1 20.7 21 29 A S H X S+ 0 0 65 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.874 109.2 46.4 -64.7 -36.5 -2.8 84.2 19.0 22 30 A R H X S+ 0 0 39 -4,-1.5 4,-2.2 2,-0.2 3,-0.5 0.888 109.2 54.4 -72.0 -38.9 -0.6 81.8 20.9 23 31 A Y H X S+ 0 0 10 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.936 105.5 54.3 -59.1 -44.8 -1.2 83.7 24.1 24 32 A D H < S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.784 113.9 41.0 -60.6 -28.2 -5.0 83.2 23.5 25 33 A Q H < S+ 0 0 146 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.769 128.4 25.9 -91.9 -26.7 -4.5 79.4 23.2 26 34 A H H X S+ 0 0 46 -4,-2.2 4,-1.7 2,-0.1 3,-0.5 0.641 96.6 82.6-113.0 -17.9 -2.0 78.8 26.0 27 35 A A H X S+ 0 0 5 -4,-2.9 4,-3.2 -5,-0.3 5,-0.2 0.830 87.3 59.0 -59.9 -35.0 -2.4 81.6 28.6 28 36 A S H > S+ 0 0 77 -5,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.892 106.4 47.8 -62.4 -39.2 -5.3 79.9 30.4 29 37 A R H > S+ 0 0 37 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.894 113.3 49.0 -67.7 -39.0 -3.2 76.8 31.1 30 38 A L H X S+ 0 0 4 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.950 111.4 49.4 -64.3 -47.4 -0.4 79.1 32.4 31 39 A L H X S+ 0 0 25 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.852 109.1 50.8 -61.3 -38.4 -2.8 81.0 34.6 32 40 A D H X S+ 0 0 117 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.891 110.1 50.9 -67.4 -39.4 -4.4 77.9 36.1 33 41 A A H X S+ 0 0 9 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.959 113.3 44.6 -60.7 -51.3 -0.9 76.6 37.0 34 42 A L H X>S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.6 0.860 112.5 51.5 -62.9 -37.8 0.1 79.8 38.6 35 43 A H H X5S+ 0 0 95 -4,-2.3 4,-1.9 3,-0.2 5,-0.3 0.908 106.8 53.9 -67.3 -39.7 -3.2 80.2 40.5 36 44 A A H <5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 119.9 34.3 -60.8 -35.2 -2.8 76.6 41.9 37 45 A L H <5S+ 0 0 20 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.824 141.5 7.1 -90.0 -35.2 0.6 77.5 43.2 38 46 A Y H ><5S+ 0 0 3 -4,-3.3 3,-2.4 -5,-0.2 -3,-0.2 0.431 90.1 110.6-128.8 -4.1 0.3 81.2 44.2 39 47 A G T 3< S+ 0 0 59 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.398 82.9 101.0 -91.1 2.9 0.1 89.9 46.3 44 52 A Y H <> S+ 0 0 20 -3,-1.4 4,-2.9 -6,-0.2 5,-0.2 0.924 81.0 44.3 -53.7 -56.5 -0.8 87.4 43.6 45 53 A A H > S+ 0 0 60 -4,-0.4 4,-2.2 -3,-0.3 5,-0.2 0.909 116.8 45.1 -57.7 -47.8 -2.8 89.7 41.3 46 54 A S H > S+ 0 0 81 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.898 114.9 49.4 -65.6 -39.9 -0.4 92.6 41.5 47 55 A W H X S+ 0 0 33 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.932 111.4 49.1 -63.1 -46.7 2.6 90.2 40.9 48 56 A L H X S+ 0 0 4 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.910 109.3 50.0 -60.5 -48.3 1.0 88.5 37.9 49 57 A A H X S+ 0 0 41 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.925 114.7 44.9 -58.6 -46.2 0.0 91.7 36.1 50 58 A Q H X S+ 0 0 133 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.946 113.9 48.9 -63.9 -49.0 3.5 93.1 36.5 51 59 A W H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 108.7 52.1 -58.6 -46.6 5.2 89.9 35.5 52 60 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.863 107.0 54.9 -60.2 -33.9 3.1 89.4 32.4 53 61 A G H X S+ 0 0 16 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.938 109.7 46.3 -62.7 -44.2 4.0 92.9 31.3 54 62 A E H X S+ 0 0 68 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.870 111.2 51.7 -65.1 -38.3 7.7 92.0 31.7 55 63 A V H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.903 107.8 52.9 -65.3 -42.6 7.1 88.7 29.7 56 64 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.883 108.3 50.0 -60.8 -40.5 5.4 90.6 26.9 57 65 A D H X S+ 0 0 81 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.922 112.4 46.3 -65.4 -44.0 8.4 93.0 26.6 58 66 A I H < S+ 0 0 14 -4,-2.0 4,-0.3 1,-0.2 3,-0.3 0.890 111.1 54.1 -64.3 -38.7 10.9 90.1 26.5 59 67 A A H >< S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.925 107.7 49.1 -60.2 -47.6 8.7 88.4 23.9 60 68 A R H 3< S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.712 108.4 53.4 -68.7 -20.4 8.6 91.4 21.6 61 69 A Q T 3< S+ 0 0 126 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.423 77.9 125.6 -94.4 3.3 12.4 91.8 21.7 62 70 A R S < S- 0 0 6 -3,-1.3 5,-0.1 -4,-0.3 196,-0.1 -0.396 76.1 -96.7 -60.7 131.0 13.0 88.2 20.7 63 71 A P >> - 0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.194 27.5-123.3 -52.1 140.1 15.2 88.2 17.6 64 72 A Q H 3> S+ 0 0 163 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.844 110.4 57.9 -54.5 -38.5 13.3 87.9 14.3 65 73 A A H 3> S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.894 109.9 44.3 -60.8 -39.2 15.2 84.8 13.3 66 74 A L H <> S+ 0 0 3 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.836 109.0 56.0 -74.8 -32.5 14.1 83.1 16.4 67 75 A Q H X S+ 0 0 79 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.847 106.2 53.5 -66.7 -31.1 10.5 84.4 16.0 68 76 A T H X S+ 0 0 80 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.904 107.4 48.2 -69.7 -42.8 10.6 82.7 12.5 69 77 A L H >X S+ 0 0 37 -4,-1.5 4,-2.5 1,-0.2 3,-0.8 0.941 110.1 56.2 -60.7 -44.1 11.6 79.3 14.0 70 78 A D H 3< S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.3 38.9 -53.0 -48.3 8.8 79.8 16.5 71 79 A S H 3< S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.548 122.0 41.1 -85.7 -5.6 6.1 80.3 13.9 72 80 A T H << S+ 0 0 85 -4,-1.1 2,-0.2 -3,-0.8 -2,-0.2 0.642 86.8 97.8-114.3 -18.9 7.4 77.6 11.4 73 81 A R < - 0 0 58 -4,-2.5 2,-0.2 -5,-0.2 3,-0.1 -0.525 64.4-141.2 -73.7 135.0 8.5 74.7 13.6 74 82 A H > - 0 0 156 -2,-0.2 3,-1.5 1,-0.1 -2,-0.1 -0.623 32.3 -86.7 -92.9 154.5 5.9 71.9 13.9 75 83 A A T 3 S+ 0 0 64 1,-0.3 293,-0.1 -2,-0.2 -1,-0.1 -0.307 115.2 23.5 -58.2 139.9 5.3 70.0 17.2 76 84 A G T > S+ 0 0 12 292,-0.3 3,-1.7 291,-0.1 -1,-0.3 0.596 76.6 137.6 79.3 12.3 7.6 67.1 17.6 77 85 A W G X + 0 0 37 -3,-1.5 3,-1.4 1,-0.3 6,-0.1 0.848 67.2 60.6 -57.1 -36.2 10.3 68.5 15.2 78 86 A F G 3 S+ 0 0 2 1,-0.3 -1,-0.3 290,-0.1 -3,-0.1 0.616 98.5 58.5 -69.3 -13.9 13.0 67.4 17.6 79 87 A G G < S+ 0 0 0 -3,-1.7 462,-2.2 390,-0.1 389,-0.4 0.356 77.0 118.5 -99.5 6.0 12.0 63.8 17.3 80 88 A Q S X S- 0 0 71 -3,-1.4 3,-2.0 460,-0.2 457,-0.1 -0.346 77.8-106.0 -71.4 155.2 12.4 63.4 13.5 81 89 A P T 3 S+ 0 0 11 0, 0.0 454,-0.1 0, 0.0 -1,-0.1 0.736 115.2 61.1 -50.7 -33.9 15.0 60.9 12.1 82 90 A H T 3 S+ 0 0 77 452,-0.2 2,-0.4 451,-0.1 452,-0.1 0.674 79.7 108.1 -72.8 -14.4 17.6 63.5 11.1 83 91 A X < + 0 0 3 -3,-2.0 2,-0.4 -6,-0.1 385,-0.1 -0.489 41.0 165.1 -70.3 122.3 17.9 64.7 14.7 84 92 A L - 0 0 2 -2,-0.4 29,-2.9 27,-0.2 30,-1.4 -0.998 19.6-148.9-137.4 131.9 21.3 63.6 16.2 85 93 A G E -ab 114 471A 0 385,-3.3 387,-2.4 -2,-0.4 2,-0.3 -0.592 10.7-167.8-105.3 166.2 22.7 65.0 19.4 86 94 A Y E -ab 115 472A 0 28,-1.7 30,-3.5 385,-0.3 2,-0.4 -0.984 7.0-158.1-148.9 134.0 26.2 65.7 20.8 87 95 A S E +ab 116 473A 3 385,-2.5 387,-2.6 -2,-0.3 2,-0.3 -0.973 26.5 141.7-121.3 132.9 27.1 66.5 24.4 88 96 A A E -a 117 0A 1 28,-2.5 30,-2.4 -2,-0.4 2,-0.4 -0.989 51.7-103.6-160.4 162.9 30.3 68.3 25.5 89 97 A Y > - 0 0 26 -2,-0.3 4,-2.5 28,-0.2 5,-0.2 -0.797 32.6-136.8 -88.8 134.8 32.0 70.8 27.7 90 98 A A H > S+ 0 0 2 -2,-0.4 4,-2.6 28,-0.4 5,-0.4 0.916 103.5 46.0 -60.3 -43.3 32.6 74.0 25.7 91 99 A D H > S+ 0 0 77 3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.895 114.5 46.3 -68.0 -40.6 36.1 74.4 27.2 92 100 A R H 4 S+ 0 0 46 2,-0.2 412,-3.2 1,-0.1 -1,-0.2 0.868 117.0 45.8 -70.0 -35.1 37.1 70.7 26.7 93 101 A F H < S- 0 0 1 -4,-2.5 -2,-0.2 410,-0.2 -3,-0.2 0.943 142.7 -17.2 -74.6 -51.0 35.7 70.7 23.1 94 102 A A H < S- 0 0 23 -4,-2.6 2,-2.0 -5,-0.2 -3,-0.2 0.163 83.1-113.1-147.4 23.6 37.1 74.0 21.8 95 103 A G S < S+ 0 0 37 -4,-1.5 2,-0.3 -5,-0.4 -4,-0.1 -0.269 89.1 23.9 77.3 -55.3 38.3 76.2 24.7 96 104 A T S > S- 0 0 54 -2,-2.0 4,-2.3 -6,-0.2 49,-0.1 -0.850 84.9 -99.9-137.4 173.6 35.7 79.0 24.2 97 105 A L H > S+ 0 0 0 47,-2.3 4,-2.1 -2,-0.3 5,-0.1 0.932 125.4 46.3 -61.6 -46.8 32.2 79.6 22.8 98 106 A Q H > S+ 0 0 110 46,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.823 110.3 56.4 -65.4 -28.3 33.7 81.2 19.7 99 107 A G H > S+ 0 0 9 2,-0.2 4,-0.9 45,-0.2 -2,-0.2 0.902 105.0 50.4 -67.8 -40.5 36.0 78.2 19.6 100 108 A V H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.919 108.3 53.8 -61.6 -42.4 33.0 75.9 19.6 101 109 A A H >< S+ 0 0 13 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.845 104.0 54.7 -60.9 -36.3 31.6 78.0 16.7 102 110 A E H 3< S+ 0 0 138 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.713 106.3 53.6 -70.9 -19.8 34.8 77.5 14.7 103 111 A R T XX S+ 0 0 102 -3,-0.9 4,-1.4 -4,-0.9 3,-0.9 0.322 75.5 105.0 -96.5 8.3 34.4 73.8 15.1 104 112 A V H <> S+ 0 0 0 -3,-1.2 4,-3.0 1,-0.2 5,-0.2 0.861 70.5 63.8 -57.6 -36.4 30.9 73.7 13.8 105 113 A P H 3> S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.897 102.2 51.2 -56.4 -35.9 32.0 72.2 10.4 106 114 A Y H <> S+ 0 0 8 -3,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.919 111.2 46.6 -65.1 -44.2 33.1 69.1 12.4 107 115 A L H X>S+ 0 0 0 -4,-1.4 5,-2.3 1,-0.2 4,-1.0 0.899 112.1 51.4 -65.5 -38.9 29.7 68.8 14.1 108 116 A Q H <5S+ 0 0 97 -4,-3.0 3,-0.2 1,-0.2 -2,-0.2 0.881 107.1 52.5 -66.8 -37.6 28.0 69.3 10.8 109 117 A E H <5S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.835 107.3 52.5 -66.7 -32.9 30.0 66.5 9.0 110 118 A L H <5S- 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.752 120.5-111.5 -73.1 -25.6 29.1 64.1 11.8 111 119 A G T <5 + 0 0 15 -4,-1.0 -27,-0.2 1,-0.2 -3,-0.2 0.553 56.9 165.1 104.2 12.5 25.5 64.9 11.3 112 120 A V < + 0 0 1 -5,-2.3 -1,-0.2 -6,-0.2 -27,-0.2 -0.379 15.8 162.0 -66.2 136.2 24.8 66.7 14.6 113 121 A R + 0 0 91 -29,-2.9 50,-2.2 1,-0.3 2,-0.4 0.299 68.5 50.6-131.0 -0.9 21.6 68.8 14.8 114 122 A Y E -ac 85 163A 0 -30,-1.4 -28,-1.7 48,-0.3 2,-0.5 -0.944 65.2-171.3-145.7 115.6 21.4 69.1 18.6 115 123 A L E -ac 86 164A 1 48,-2.6 50,-3.1 -2,-0.4 2,-0.7 -0.943 6.7-163.2-117.6 120.9 24.4 70.3 20.7 116 124 A H E -ac 87 165A 2 -30,-3.5 -28,-2.5 -2,-0.5 2,-0.6 -0.879 6.2-167.6-101.1 112.5 24.4 70.1 24.5 117 125 A L E -ac 88 166A 0 48,-1.7 50,-0.6 -2,-0.7 3,-0.2 -0.907 24.3-125.4-100.4 123.3 27.1 72.3 26.0 118 126 A L - 0 0 1 -30,-2.4 -28,-0.4 -2,-0.6 13,-0.1 -0.135 63.5 -35.5 -60.5 162.1 27.5 71.5 29.7 119 127 A P + 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -29,-0.1 0.182 67.6 156.5 -24.5 108.0 27.2 74.4 32.2 120 128 A F + 0 0 3 -3,-0.2 21,-2.9 47,-0.2 24,-0.2 0.285 39.4 101.1-123.5 5.5 28.7 77.5 30.6 121 129 A L E S-I 140 0B 11 19,-0.3 19,-0.3 10,-0.2 16,-0.1 -0.479 94.9 -62.1 -87.1 163.5 27.0 80.2 32.6 122 130 A R E -I 136 0B 94 17,-2.6 13,-2.4 14,-0.6 14,-1.3 -0.196 64.1-164.6 -47.4 126.6 28.7 82.0 35.5 123 131 A A E -I 134 0B 11 11,-0.3 11,-0.2 12,-0.2 3,-0.1 -0.799 29.3 -74.3-117.4 160.5 29.6 79.4 38.1 124 132 A R - 0 0 63 9,-2.7 7,-0.1 -2,-0.3 -1,-0.1 -0.158 51.9-106.3 -53.7 139.2 30.6 79.7 41.8 125 133 A A S S- 0 0 73 -3,-0.0 2,-0.2 3,-0.0 -1,-0.1 -0.441 92.8 -1.1 -64.7 138.3 34.2 80.9 42.5 126 134 A G S S+ 0 0 66 -2,-0.1 2,-0.1 -3,-0.1 -3,-0.0 -0.580 131.7 22.1 79.9-142.5 36.2 77.9 43.6 127 135 A D + 0 0 99 -2,-0.2 -3,-0.0 1,-0.1 0, 0.0 -0.366 63.1 157.3 -60.1 132.4 34.3 74.6 43.9 128 136 A N >>> - 0 0 42 -5,-0.1 5,-1.5 -2,-0.1 3,-0.9 0.091 58.6-108.8-145.9 25.6 31.2 74.7 41.7 129 137 A D G >45S- 0 0 42 1,-0.3 3,-1.5 2,-0.2 -2,-0.1 0.900 83.0 -48.6 43.6 55.2 30.4 71.0 41.1 130 138 A G G 345S- 0 0 35 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.795 112.7 -47.7 60.5 30.6 31.5 71.2 37.4 131 139 A G G <45S+ 0 0 7 -3,-0.9 -1,-0.3 -7,-0.1 -2,-0.2 0.336 113.0 111.4 95.3 -7.3 29.5 74.4 36.7 132 140 A F T <<5 + 0 0 27 -3,-1.5 2,-1.0 -4,-0.6 -3,-0.2 0.458 59.3 79.7 -80.7 -0.4 26.3 73.2 38.3 133 141 A A S -I 122 0B 61 -14,-1.3 3,-0.6 41,-0.2 -14,-0.6 -0.793 49.6-170.3-165.0 117.7 24.5 84.0 37.2 137 145 A Y E 3 S+ 0 0 8 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.574 90.0 56.5 -83.5 -10.6 21.8 82.7 34.8 138 146 A G E 3 S+ 0 0 35 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.155 101.9 52.6-110.1 20.2 22.2 85.8 32.6 139 147 A Q E < S- 0 0 47 -3,-0.6 -17,-2.6 -17,-0.1 -3,-0.1 -0.968 75.1-118.1-157.6 139.5 25.9 85.8 31.8 140 148 A V E -I 121 0B 0 -2,-0.3 -19,-0.3 -19,-0.3 7,-0.1 -0.398 45.4 -90.8 -74.4 148.8 28.4 83.4 30.3 141 149 A E >> - 0 0 55 -21,-2.9 3,-2.7 1,-0.1 4,-1.2 -0.462 39.9-129.5 -60.4 121.3 31.4 82.3 32.3 142 150 A P T 34 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.782 104.8 61.5 -44.1 -40.7 34.1 84.9 31.3 143 151 A S T 34 S+ 0 0 91 1,-0.2 3,-0.1 -47,-0.0 -2,-0.1 0.702 111.6 40.6 -64.6 -17.4 36.7 82.3 30.4 144 152 A L T <4 S- 0 0 14 -3,-2.7 -47,-2.3 1,-0.4 -46,-0.5 0.648 123.3 -99.6-101.7 -21.5 34.3 81.1 27.7 145 153 A G < - 0 0 18 -4,-1.2 -1,-0.4 -49,-0.1 2,-0.2 -0.936 39.5 -78.8 135.7-159.1 33.2 84.5 26.5 146 154 A S >> - 0 0 45 -2,-0.3 4,-1.5 -3,-0.1 3,-1.0 -0.724 52.7 -77.6-132.6-176.7 30.1 86.7 27.2 147 155 A N H 3> S+ 0 0 37 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.850 126.5 62.2 -53.4 -36.4 26.5 86.9 26.0 148 156 A D H 3> S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.901 106.3 45.0 -55.7 -42.4 27.7 88.5 22.8 149 157 A D H <> S+ 0 0 30 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.792 107.7 56.8 -74.3 -28.8 29.6 85.3 22.0 150 158 A L H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.930 108.3 49.0 -66.0 -45.3 26.7 83.1 22.9 151 159 A V H X S+ 0 0 56 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.909 112.0 47.3 -59.0 -45.2 24.6 84.9 20.4 152 160 A A H X S+ 0 0 53 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.869 112.5 51.7 -65.0 -36.6 27.4 84.5 17.7 153 161 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.956 111.6 43.4 -65.7 -52.8 27.6 80.8 18.7 154 162 A T H X S+ 0 0 2 -4,-3.0 4,-2.5 105,-0.3 -1,-0.2 0.841 112.7 53.8 -64.9 -31.7 23.9 80.0 18.3 155 163 A S H X S+ 0 0 40 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.935 111.8 45.3 -65.5 -44.2 23.7 82.1 15.1 156 164 A R H < S+ 0 0 62 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.895 111.7 52.6 -64.8 -41.0 26.6 80.0 13.7 157 165 A L H ><>S+ 0 0 1 -4,-2.8 5,-2.5 1,-0.2 3,-2.0 0.917 105.4 53.7 -62.0 -43.1 24.9 76.8 15.0 158 166 A R H ><5S+ 0 0 64 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.795 97.3 66.8 -62.5 -26.1 21.7 77.7 13.2 159 167 A E T 3<5S+ 0 0 139 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.627 108.7 38.8 -68.9 -11.9 23.7 78.0 10.0 160 168 A A T < 5S- 0 0 8 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.201 122.1-105.9-119.0 10.3 24.3 74.3 10.3 161 169 A G T < 5S+ 0 0 30 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.827 71.6 148.1 68.0 33.2 20.8 73.5 11.5 162 170 A I < - 0 0 1 -5,-2.5 2,-0.5 -8,-0.1 -48,-0.3 -0.875 38.0-150.5-107.6 131.5 22.0 72.9 15.1 163 171 A S E -c 114 0A 2 -50,-2.2 -48,-2.6 -2,-0.5 2,-0.4 -0.855 15.7-135.6-100.4 126.8 20.0 73.6 18.2 164 172 A L E -cd 115 261A 1 96,-0.5 98,-2.1 -2,-0.5 99,-1.6 -0.673 13.8-158.3 -85.4 129.3 21.9 74.5 21.4 165 173 A C E -cd 116 263A 0 -50,-3.1 -48,-1.7 -2,-0.4 2,-0.4 -0.918 11.7-170.0-106.3 129.8 20.8 72.8 24.6 166 174 A A E -cd 117 264A 1 97,-3.1 99,-2.4 -2,-0.5 2,-0.2 -0.934 24.8-114.2-122.6 143.9 21.7 74.6 27.8 167 175 A D E - d 0 265A 9 -50,-0.6 2,-0.5 -2,-0.4 99,-0.2 -0.515 24.0-167.0 -71.7 137.5 21.5 73.5 31.4 168 176 A F E - d 0 266A 0 97,-2.9 99,-1.7 -2,-0.2 2,-1.6 -0.890 5.9-160.1-127.9 96.1 19.0 75.4 33.5 169 177 A V E 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187 A W H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 110.2 47.6 -63.0 -41.1 20.5 87.0 44.9 180 188 A A H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.3 -2,-0.2 0.875 111.0 50.8 -66.8 -38.4 22.5 85.1 47.5 181 189 A Q H X S+ 0 0 90 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.863 109.5 50.4 -67.6 -35.8 24.9 88.1 47.9 182 190 A A H <>S+ 0 0 24 -4,-2.3 5,-2.7 -5,-0.3 -2,-0.2 0.918 111.3 48.6 -66.6 -42.4 21.9 90.4 48.3 183 191 A A H ><5S+ 0 0 3 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.916 109.9 51.8 -61.6 -43.8 20.5 88.1 51.0 184 192 A R H 3<5S+ 0 0 55 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 107.1 54.1 -60.0 -36.2 24.0 88.1 52.6 185 193 A A T 3<5S- 0 0 89 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.380 127.7 -98.2 -80.8 2.9 23.8 91.9 52.6 186 194 A G T < 5 + 0 0 64 -3,-1.7 2,-1.0 1,-0.2 -3,-0.2 0.606 68.3 152.4 93.4 12.9 20.5 91.9 54.4 187 195 A D >< - 0 0 63 -5,-2.7 4,-1.9 1,-0.2 3,-0.4 -0.672 27.7-164.9 -80.7 104.2 18.0 92.3 51.6 188 196 A A H > S+ 0 0 64 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.836 84.8 62.6 -56.7 -35.3 14.9 90.6 52.9 189 197 A R H 4 S+ 0 0 152 1,-0.2 -1,-0.2 2,-0.2 -6,-0.1 0.940 112.1 33.6 -56.6 -50.8 13.4 90.6 49.4 190 198 A Y H >4 S+ 0 0 47 -3,-0.4 3,-1.3 1,-0.2 -7,-0.2 0.703 108.9 65.1 -81.8 -19.3 16.2 88.3 48.0 191 199 A L H >< S+ 0 0 28 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.913 98.7 58.4 -65.1 -39.1 16.6 86.4 51.2 192 200 A D T 3< S+ 0 0 74 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.452 85.8 76.1 -69.7 -1.5 13.0 85.2 50.5 193 201 A Y T < S+ 0 0 3 -3,-1.3 46,-2.9 -14,-0.1 -1,-0.3 0.581 98.8 54.4 -82.3 -10.6 14.1 83.8 47.1 194 202 A Y B < S-K 238 0D 1 -3,-1.8 2,-1.0 44,-0.3 44,-0.2 -0.781 97.7-102.7-119.8 162.3 15.6 81.0 49.2 195 203 A H + 0 0 15 42,-1.6 33,-2.2 -2,-0.3 2,-0.3 -0.780 56.1 168.1 -84.8 105.3 14.3 78.6 51.8 196 204 A H E -L 227 0E 43 -2,-1.0 2,-0.4 31,-0.2 31,-0.2 -0.928 18.8-165.3-123.2 149.7 15.6 80.1 54.9 197 205 A F E -L 226 0E 28 29,-1.9 29,-3.1 -2,-0.3 3,-0.0 -0.996 25.2-137.9-138.0 139.0 14.9 79.5 58.6 198 206 A A S S- 0 0 68 -2,-0.4 2,-0.3 27,-0.2 -1,-0.1 0.853 88.3 -10.4 -59.7 -36.5 15.6 81.4 61.8 199 207 A D S > S- 0 0 79 27,-0.1 3,-0.5 -3,-0.1 27,-0.1 -0.890 83.0 -81.9-152.7 179.9 16.5 78.2 63.6 200 208 A R T 3> S+ 0 0 63 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.547 96.8 95.1 -69.4 -8.1 16.4 74.3 63.3 201 209 A T H 3> S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.933 94.2 30.0 -50.8 -59.3 12.8 74.0 64.4 202 210 A V H <> S+ 0 0 41 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.914 118.8 55.9 -70.5 -41.7 11.2 73.9 61.0 203 211 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -2,-0.2 0.899 105.4 53.5 -56.8 -39.0 14.2 72.3 59.3 204 212 A D H X S+ 0 0 85 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.887 106.4 52.1 -62.2 -39.7 14.0 69.4 61.9 205 213 A R H < S+ 0 0 137 -4,-1.3 4,-0.4 -5,-0.3 72,-0.3 0.908 113.5 44.4 -63.9 -40.7 10.3 68.9 61.0 206 214 A Y H >X S+ 0 0 31 -4,-2.1 3,-2.1 1,-0.2 4,-0.6 0.970 108.5 56.0 -65.6 -55.0 11.2 68.6 57.3 207 215 A E H >< S+ 0 0 36 -4,-3.1 3,-0.6 1,-0.3 -1,-0.2 0.721 88.7 77.8 -49.9 -28.5 14.3 66.4 57.8 208 216 A A T 3< S+ 0 0 85 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.823 111.5 23.7 -54.2 -32.8 12.2 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