==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-98 3GCB . COMPND 2 MOLECULE: GAL6; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR L.JOSHUA-TOR,W.ZHENG,S.A.JOHNSTON . 458 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 0 0.0 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 . 29 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 1 2 3 2 0 1 1 1 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 0 0 0 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 . 5 2 1 1 3 2 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 . 1 0 0 0 0 0 0 0 0 0 0 1 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 -4 A A > 0 0 133 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -60.6 17.6 35.1 4.4 2 -3 A F H > + 0 0 149 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.941 360.0 45.5 -55.8 -57.8 18.9 37.5 1.8 3 -2 A Q H > S+ 0 0 167 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 116.2 48.4 -55.6 -41.9 17.8 40.8 3.5 4 -1 A G H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.945 112.9 45.8 -64.0 -49.1 19.1 39.4 6.8 5 0 A A H < S+ 0 0 58 -4,-3.1 4,-0.4 2,-0.2 -2,-0.2 0.878 113.4 50.9 -62.1 -37.6 22.5 38.4 5.4 6 1 A M H >< S+ 0 0 117 -4,-3.1 3,-1.3 -5,-0.2 -2,-0.2 0.947 110.9 48.0 -65.0 -46.6 22.8 41.7 3.6 7 2 A A H 3< S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.803 112.5 50.0 -62.5 -33.6 22.0 43.6 6.8 8 3 A S T 3< S+ 0 0 107 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.434 95.4 97.2 -86.2 -1.2 24.5 41.5 8.7 9 4 A S S < S- 0 0 67 -3,-1.3 2,-0.6 -4,-0.4 -3,-0.0 -0.376 86.0 -99.7 -86.4 163.6 27.3 42.0 6.2 10 5 A I - 0 0 135 -2,-0.1 2,-0.5 4,-0.0 -1,-0.1 -0.781 38.8-155.3 -82.7 120.4 30.2 44.5 6.2 11 6 A D > - 0 0 81 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.911 8.6-148.6-101.5 125.9 29.1 47.4 3.9 12 7 A I H > S+ 0 0 123 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.875 97.7 49.3 -62.6 -40.6 32.0 49.4 2.4 13 8 A S H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 110.5 53.2 -64.7 -41.4 30.1 52.7 2.3 14 9 A K H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.939 110.7 43.7 -61.2 -49.2 29.0 52.2 5.9 15 10 A I H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.853 114.0 50.9 -68.1 -30.6 32.5 51.7 7.3 16 11 A N H X S+ 0 0 96 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.856 110.9 49.4 -73.9 -29.8 33.9 54.6 5.2 17 12 A S H X S+ 0 0 69 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 111.1 48.6 -72.6 -43.0 31.2 56.8 6.5 18 13 A W H X S+ 0 0 122 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.904 108.8 55.8 -62.9 -37.9 31.9 55.7 10.1 19 14 A N H X S+ 0 0 81 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.930 105.2 50.8 -59.8 -44.8 35.6 56.4 9.4 20 15 A K H X S+ 0 0 168 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.929 112.3 47.3 -58.8 -43.6 34.8 60.0 8.3 21 16 A E H >< S+ 0 0 120 -4,-2.0 3,-0.7 1,-0.2 4,-0.3 0.906 112.1 48.9 -65.5 -44.6 32.9 60.6 11.5 22 17 A F H >< S+ 0 0 92 -4,-2.6 3,-1.8 1,-0.2 7,-0.3 0.919 106.2 56.8 -63.0 -40.6 35.6 59.1 13.8 23 18 A Q H 3< S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.702 96.8 64.2 -65.9 -15.7 38.3 61.1 12.1 24 19 A S T << S+ 0 0 92 -4,-0.7 2,-0.6 -3,-0.7 -1,-0.3 0.625 87.7 86.3 -79.7 -14.4 36.3 64.3 13.0 25 20 A D S <> S- 0 0 81 -3,-1.8 4,-2.3 -4,-0.3 5,-0.2 -0.799 70.5-152.1 -91.5 124.1 36.9 63.4 16.7 26 21 A L H > S+ 0 0 127 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.806 95.3 55.1 -65.6 -33.0 40.2 64.7 18.1 27 22 A T H > S+ 0 0 79 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.916 110.9 47.1 -66.9 -39.6 40.6 62.0 20.7 28 23 A H H > S+ 0 0 63 -6,-0.3 4,-2.8 2,-0.2 5,-0.3 0.901 109.7 52.5 -64.8 -46.7 40.3 59.4 17.9 29 24 A Q H X S+ 0 0 70 -4,-2.3 4,-1.3 -7,-0.3 -1,-0.2 0.918 114.2 43.3 -56.1 -43.3 42.8 61.3 15.7 30 25 A L H X S+ 0 0 115 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 113.6 51.8 -69.1 -44.1 45.3 61.2 18.6 31 26 A A H X S+ 0 0 19 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.914 109.5 46.8 -60.6 -47.7 44.5 57.6 19.5 32 27 A T H X S+ 0 0 40 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.860 111.3 53.2 -66.4 -31.7 45.0 56.1 16.0 33 28 A T H >< S+ 0 0 80 -4,-1.3 3,-0.6 -5,-0.3 4,-0.4 0.975 116.8 37.7 -65.2 -48.9 48.3 58.1 15.6 34 29 A V H >X S+ 0 0 52 -4,-2.3 4,-1.9 1,-0.2 3,-1.4 0.915 113.8 54.1 -68.8 -45.5 49.7 56.7 18.9 35 30 A L H 3< S+ 0 0 60 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.580 102.4 57.1 -70.7 -10.5 48.3 53.2 18.6 36 31 A K T << S+ 0 0 149 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.591 112.9 44.7 -89.4 -13.4 49.8 52.6 15.1 37 32 A N T <4 S+ 0 0 110 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.810 117.1 25.3 -98.3 -38.0 53.2 53.4 16.7 38 33 A Y S < S- 0 0 154 -4,-1.9 -1,-0.2 2,-0.0 5,-0.0 -0.942 85.4 -89.5-133.4 158.3 53.2 51.4 20.0 39 34 A N > - 0 0 99 -2,-0.3 4,-2.8 1,-0.1 3,-0.5 -0.313 45.7-119.5 -56.8 138.8 51.8 48.4 21.7 40 35 A A H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.858 112.6 51.2 -54.0 -41.1 48.5 49.6 23.5 41 36 A D H > S+ 0 0 72 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.865 112.7 45.7 -66.1 -35.6 49.8 48.6 26.9 42 37 A D H 4 S+ 0 0 119 -3,-0.5 3,-0.2 2,-0.2 -2,-0.2 0.907 117.0 45.1 -70.7 -44.1 53.0 50.6 26.4 43 38 A A H < S+ 0 0 33 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.911 119.7 39.8 -65.2 -43.4 51.1 53.5 25.0 44 39 A L H < S+ 0 0 22 -4,-3.0 305,-2.9 -5,-0.2 -1,-0.2 0.463 73.3 129.2 -92.9 -2.9 48.4 53.5 27.7 45 40 A L B < -A 348 0A 39 -4,-1.0 2,-0.9 303,-0.2 303,-0.3 -0.326 56.6-136.7 -53.4 125.7 50.3 52.8 30.9 46 41 A N >> - 0 0 40 301,-3.4 4,-2.6 1,-0.2 3,-0.5 -0.757 22.1-174.5 -95.6 101.5 49.2 55.5 33.2 47 42 A K H 3> S+ 0 0 161 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.761 84.7 61.7 -66.6 -22.9 52.1 57.0 35.2 48 43 A T H 3> S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.906 112.7 38.5 -65.5 -41.0 49.8 59.2 37.3 49 44 A R H X> S+ 0 0 62 -3,-0.5 4,-2.7 2,-0.2 3,-0.9 0.899 113.3 55.6 -73.7 -46.0 48.2 56.0 38.5 50 45 A L H 3X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.877 99.5 62.1 -53.8 -42.9 51.5 54.1 38.7 51 46 A Q H 3< S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.1 33.2 -54.1 -36.6 52.9 56.8 41.0 52 47 A K H << S+ 0 0 155 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.883 120.0 46.9 -89.3 -43.6 50.3 56.0 43.6 53 48 A Q H < S+ 0 0 45 -4,-2.7 2,-2.4 1,-0.2 -2,-0.2 0.769 87.3 84.1 -74.6 -28.4 49.8 52.2 43.2 54 49 A D < + 0 0 57 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 -0.519 62.3 146.2 -76.9 82.0 53.4 51.2 43.1 55 50 A N - 0 0 50 -2,-2.4 -3,-0.0 1,-0.1 -4,-0.0 -0.962 30.0-178.0-127.4 113.7 53.6 51.1 46.9 56 51 A R + 0 0 51 -2,-0.5 2,-0.6 354,-0.1 -1,-0.1 0.060 46.6 113.9 -99.9 21.6 55.8 48.5 48.6 57 52 A V + 0 0 91 325,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.860 41.8 178.8 -91.2 123.7 55.1 49.4 52.2 58 53 A F - 0 0 27 -2,-0.6 324,-0.2 1,-0.1 3,-0.1 -0.972 20.4-170.4-130.0 116.3 53.2 46.4 53.8 59 54 A N S S+ 0 0 79 -2,-0.4 2,-0.5 1,-0.2 323,-0.2 0.576 81.0 56.3 -82.4 -5.2 52.2 46.5 57.4 60 55 A T E S+B 381 0B 19 321,-2.4 321,-2.7 2,-0.0 2,-0.3 -0.855 73.8 146.2-130.5 94.7 51.2 42.8 57.5 61 56 A V E -B 380 0B 62 -2,-0.5 319,-0.2 319,-0.3 2,-0.1 -0.907 50.4-104.7-129.9 158.3 54.0 40.5 56.4 62 57 A V - 0 0 3 317,-2.0 262,-0.1 -2,-0.3 259,-0.1 -0.424 35.7-123.3 -72.8 152.7 55.3 37.0 57.1 63 58 A S S S+ 0 0 82 260,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.727 86.9 72.8 -73.4 -22.3 58.5 37.1 59.3 64 59 A T S S- 0 0 25 259,-0.1 2,-0.1 1,-0.0 -2,-0.1 -0.812 77.5-128.4-102.5 135.6 60.8 35.1 56.9 65 60 A D - 0 0 109 -2,-0.4 2,-1.6 1,-0.1 27,-0.1 -0.462 22.1-115.1 -79.2 152.1 62.2 36.5 53.6 66 61 A S - 0 0 21 -2,-0.1 -1,-0.1 33,-0.1 33,-0.0 -0.625 45.6-156.8 -87.4 83.5 61.8 34.7 50.3 67 62 A T + 0 0 44 -2,-1.6 33,-2.3 1,-0.1 2,-0.1 -0.940 64.9 13.5-121.2 124.4 65.5 34.0 49.7 68 63 A P S S- 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.635 87.9-121.9 -89.8 167.7 66.6 33.6 46.9 69 64 A V - 0 0 37 -2,-0.1 332,-0.3 1,-0.1 2,-0.2 -0.500 36.9-131.5 -63.6 136.4 63.8 34.6 44.5 70 65 A T - 0 0 2 327,-0.4 330,-2.7 330,-0.2 2,-0.4 -0.491 15.2-154.4 -93.4 163.6 63.1 31.6 42.3 71 66 A N B -N 399 0C 55 328,-0.3 328,-0.2 -2,-0.2 327,-0.0 -0.907 14.0-173.6-143.1 111.0 62.8 31.2 38.6 72 67 A Q - 0 0 9 326,-2.9 5,-0.1 -2,-0.4 327,-0.1 0.661 32.0-169.4 -73.9 -17.0 60.8 28.5 36.8 73 68 A K - 0 0 114 325,-0.4 2,-2.0 1,-0.2 -1,-0.2 -0.232 59.6 -8.7 57.3-146.3 62.2 29.7 33.5 74 69 A S B S+o 177 0D 88 102,-1.8 104,-1.7 2,-0.1 105,-0.5 -0.439 114.2 89.0 -83.7 69.9 60.6 28.2 30.3 75 70 A S S S- 0 0 15 -2,-2.0 3,-0.2 102,-0.2 2,-0.1 -0.937 79.6-119.9-151.8 161.5 58.4 25.7 32.0 76 71 A G S S+ 0 0 12 -2,-0.3 3,-0.4 1,-0.2 72,-0.1 -0.288 70.9 121.6-102.6 47.9 54.8 25.7 33.5 77 72 A R >> + 0 0 0 1,-0.2 4,-2.3 -5,-0.1 3,-0.7 0.183 25.1 117.6 -95.2 18.7 55.9 24.8 37.0 78 73 A A H 3> S+ 0 0 0 380,-2.3 4,-3.4 1,-0.3 5,-0.3 0.857 73.3 57.0 -56.3 -39.3 54.5 27.8 38.9 79 74 A W H 3> S+ 0 0 1 378,-0.7 4,-2.0 -3,-0.4 -1,-0.3 0.901 110.5 44.9 -56.9 -42.6 52.2 25.7 41.0 80 75 A L H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.900 115.6 47.1 -68.7 -42.7 55.2 23.6 42.2 81 76 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 114.0 45.8 -65.7 -48.2 57.3 26.8 42.8 82 77 A A H X S+ 0 0 1 -4,-3.4 4,-1.8 2,-0.2 -2,-0.2 0.914 114.0 49.6 -60.9 -44.2 54.5 28.7 44.7 83 78 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.919 117.0 40.5 -61.7 -43.8 53.6 25.6 46.8 84 79 A T H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.772 109.1 60.6 -77.4 -25.2 57.3 25.0 47.7 85 80 A N H X S+ 0 0 2 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.880 104.1 50.6 -69.8 -33.9 57.8 28.8 48.2 86 81 A Q H < S+ 0 0 12 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.956 117.1 40.4 -66.5 -45.3 55.1 28.7 50.9 87 82 A L H >X S+ 0 0 2 -4,-1.5 3,-1.7 1,-0.2 4,-1.0 0.833 101.4 67.8 -72.9 -35.3 56.9 25.7 52.7 88 83 A R H 3X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.3 5,-0.2 0.777 88.7 67.8 -60.8 -24.8 60.6 26.8 52.3 89 84 A L H 3X S+ 0 0 10 -4,-0.7 4,-2.1 -3,-0.5 -1,-0.3 0.848 96.4 55.8 -61.4 -33.0 60.0 29.7 54.7 90 85 A N H <> S+ 0 0 31 -3,-1.7 4,-2.9 -4,-0.3 5,-0.2 0.936 111.9 41.9 -64.3 -45.4 59.5 27.0 57.4 91 86 A V H X S+ 0 0 0 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.939 112.4 52.1 -67.8 -50.0 62.9 25.6 56.6 92 87 A L H <>S+ 0 0 5 -4,-3.0 5,-2.0 2,-0.2 4,-0.5 0.902 118.1 40.7 -50.1 -45.6 64.7 29.0 56.2 93 88 A S H ><5S+ 0 0 60 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.985 117.3 44.2 -67.8 -63.1 63.3 30.0 59.6 94 89 A E H 3<5S+ 0 0 112 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.869 122.7 37.3 -51.9 -48.6 63.7 26.7 61.6 95 90 A L T 3<5S- 0 0 27 -4,-2.9 -1,-0.3 -5,-0.2 152,-0.2 0.420 104.7-125.0 -88.9 -1.4 67.2 26.0 60.3 96 91 A N T < 5 + 0 0 62 -3,-1.1 151,-2.7 -4,-0.5 2,-0.3 0.949 48.5 169.0 56.7 56.6 68.4 29.7 60.3 97 92 A L < - 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0 0 103 -2,-0.2 3,-1.9 1,-0.1 6,-0.3 -0.320 28.6-121.0 -64.7 152.1 34.8 8.0 19.4 131 126 A I T 3 S+ 0 0 81 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.862 114.8 54.3 -61.2 -34.3 38.3 9.3 18.6 132 127 A D T 3 S+ 0 0 109 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.389 83.7 121.8 -79.9 -3.9 36.7 12.6 17.5 133 128 A S S <> S- 0 0 19 -3,-1.9 4,-2.6 1,-0.1 5,-0.3 -0.240 74.8-116.0 -61.8 157.2 34.9 13.0 20.8 134 129 A R H > S+ 0 0 184 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.893 114.4 46.5 -60.8 -42.8 35.4 16.1 22.9 135 130 A L H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.972 113.6 45.3 -67.3 -53.8 36.9 14.1 25.8 136 131 A V H > S+ 0 0 0 -6,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.917 115.3 48.0 -58.8 -41.0 39.2 11.9 23.8 137 132 A Q H X S+ 0 0 96 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.870 111.4 51.0 -65.8 -37.0 40.5 14.9 21.8 138 133 A Y H >X S+ 0 0 83 -4,-1.9 4,-0.8 -5,-0.3 3,-0.7 0.898 107.7 52.7 -66.5 -40.9 41.0 16.9 25.0 139 134 A L H 3< S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.877 110.9 48.4 -60.7 -37.5 43.0 14.0 26.5 140 135 A L H 3< S+ 0 0 22 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.577 96.0 75.8 -78.8 -13.8 45.3 13.9 23.4 141 136 A A H << S- 0 0 58 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.942 118.3 -7.9 -68.3 -51.2 45.9 17.7 23.4 142 137 A A >< + 0 0 39 -4,-0.8 3,-1.8 -3,-0.2 -1,-0.2 -0.258 68.0 159.5-148.2 61.1 48.4 18.1 26.2 143 138 A P T 3 S+ 0 0 16 0, 0.0 -24,-0.2 0, 0.0 -25,-0.1 0.737 82.9 35.9 -56.9 -28.4 48.9 14.9 28.2 144 139 A T T 3 S+ 0 0 1 38,-0.1 -28,-0.1 -28,-0.1 -29,-0.1 0.205 81.7 150.0-113.7 19.0 52.2 15.9 29.7 145 140 A E < - 0 0 89 -3,-1.8 -30,-0.1 1,-0.1 -3,-0.1 -0.123 49.0-128.4 -51.9 146.8 51.7 19.6 30.2 146 141 A D S S+ 0 0 11 2,-0.0 -1,-0.1 310,-0.0 311,-0.1 0.780 74.2 96.3 -67.7 -37.8 53.6 21.2 33.1 147 142 A G + 0 0 4 309,-0.1 2,-0.3 -68,-0.1 311,-0.3 -0.067 46.6 158.5 -58.4 157.4 50.7 22.9 34.9 148 143 A G B -Q 457 0F 0 309,-2.2 309,-2.3 -72,-0.1 2,-0.2 -0.986 32.8-103.0-167.6 174.9 48.8 21.6 37.9 149 144 A Q > - 0 0 1 -2,-0.3 4,-1.4 307,-0.2 3,-0.4 -0.604 37.8-105.2-106.4 168.2 46.6 22.1 40.9 150 145 A Y H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.873 119.4 57.5 -62.2 -36.2 47.3 22.1 44.6 151 146 A S H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 149,-0.2 0.876 106.0 50.7 -62.1 -33.9 45.6 18.7 45.1 152 147 A M H > S+ 0 0 2 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.802 106.7 54.7 -72.6 -30.4 48.1 17.3 42.5 153 148 A F H X S+ 0 0 1 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.949 111.4 43.8 -66.8 -47.8 51.0 18.9 44.5 154 149 A L H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.873 107.7 59.7 -65.7 -36.8 49.8 17.0 47.7 155 150 A N H X S+ 0 0 9 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.897 109.6 44.2 -56.0 -43.0 49.3 13.8 45.7 156 151 A L H X S+ 0 0 0 -4,-1.4 4,-3.3 -3,-0.2 5,-0.4 0.907 112.6 49.6 -69.8 -43.0 53.0 14.0 44.8 157 152 A V H X S+ 0 0 4 -4,-2.1 4,-2.3 3,-0.2 -2,-0.2 0.885 107.0 56.1 -65.0 -36.4 54.2 14.8 48.3 158 153 A K H < S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 119.5 31.5 -63.9 -35.6 52.2 12.0 49.9 159 154 A K H < S+ 0 0 100 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.857 137.6 19.7 -89.5 -36.2 53.9 9.5 47.6 160 155 A Y H < S- 0 0 20 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.561 84.8-152.1-114.9 -12.4 57.3 11.1 47.2 161 156 A G < - 0 0 0 -4,-2.3 2,-0.3 -5,-0.4 98,-0.3 -0.326 30.2 -75.7 73.4-155.5 57.9 13.5 49.9 162 157 A L - 0 0 1 96,-2.3 100,-0.3 95,-0.2 99,-0.2 -0.982 37.6-169.3-145.2 149.5 60.2 16.6 49.5 163 158 A I - 0 0 1 -2,-0.3 -60,-3.2 -60,-0.2 -57,-0.1 -0.945 35.7 -89.4-139.6 158.1 64.0 17.1 49.4 164 159 A P B > -P 102 0E 0 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.422 34.8-124.8 -62.9 143.7 66.4 20.1 49.5 165 160 A K G > S+ 0 0 56 -64,-2.6 3,-1.0 1,-0.3 -63,-0.1 0.763 105.8 78.9 -62.3 -21.6 67.2 21.5 46.0 166 161 A D G 3 S+ 0 0 118 -65,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.792 94.8 46.2 -57.1 -27.7 70.8 20.9 46.9 167 162 A L G < S+ 0 0 51 -3,-1.8 -1,-0.3 1,-0.3 2,-0.2 0.651 132.2 8.1 -90.4 -15.3 70.3 17.2 46.2 168 163 A Y S < S+ 0 0 25 -3,-1.0 -62,-0.4 -4,-0.5 -63,-0.3 -0.709 80.2 159.2-168.4 101.4 68.5 17.6 42.9 169 164 A G - 0 0 18 -2,-0.2 2,-0.3 -3,-0.2 -3,-0.1 -0.288 55.9 -65.2-115.4-156.5 68.1 20.9 41.1 170 165 A D S S+ 0 0 34 1,-0.2 6,-0.1 -2,-0.1 5,-0.1 -0.059 80.4 125.0 -86.6 36.9 67.4 22.6 37.7 171 166 A L + 0 0 169 -2,-0.3 -1,-0.2 4,-0.1 5,-0.1 0.947 49.5 84.4 -61.5 -48.1 70.6 21.3 36.1 172 167 A P S >> S- 0 0 33 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.295 81.3-128.3 -62.1 143.7 68.9 19.5 33.1 173 168 A Y H >> S+ 0 0 165 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.853 106.4 59.9 -51.6 -44.7 68.0 21.5 30.1 174 169 A S H 34 S+ 0 0 5 54,-0.5 -1,-0.3 1,-0.2 8,-0.1 0.607 92.6 64.2 -67.0 -14.9 64.5 20.2 30.2 175 170 A T H <4 S+ 0 0 0 -3,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.831 116.3 29.8 -75.1 -31.2 63.7 21.6 33.7 176 171 A T H << S+ 0 0 35 -3,-0.9 -102,-1.8 -4,-0.7 -2,-0.2 0.327 134.4 30.5-108.4 2.0 64.1 25.2 32.3 177 172 A A B < +o 74 0D 20 -4,-0.7 4,-0.4 -5,-0.2 3,-0.4 -0.475 69.9 160.6-158.0 74.5 63.0 24.6 28.7 178 173 A S > + 0 0 5 -104,-1.7 4,-2.5 -3,-0.3 5,-0.2 0.571 46.2 93.2 -80.6 -9.6 60.5 21.8 28.9 179 174 A R H > S+ 0 0 171 -105,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.879 86.9 43.9 -53.8 -52.2 58.7 22.3 25.5 180 175 A K H > S+ 0 0 98 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.917 114.1 50.0 -60.0 -48.5 60.7 19.8 23.4 181 176 A W H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.922 112.0 49.1 -55.7 -48.3 60.7 17.1 26.0 182 177 A N H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.905 111.1 50.3 -58.6 -42.0 57.0 17.5 26.3 183 178 A S H X S+ 0 0 47 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.949 110.8 47.9 -62.8 -48.7 56.6 17.3 22.6 184 179 A L H X S+ 0 0 71 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.931 115.3 44.5 -59.1 -46.7 58.7 14.2 22.2 185 180 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.925 113.5 51.7 -63.6 -42.6 56.8 12.4 25.0 186 181 A T H X S+ 0 0 10 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.857 104.9 54.1 -65.6 -37.3 53.4 13.5 23.7 187 182 A T H X S+ 0 0 85 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.917 112.3 45.9 -63.1 -39.3 54.1 12.3 20.2 188 183 A K H X S+ 0 0 63 -4,-1.5 4,-2.8 -5,-0.2 -2,-0.2 0.902 110.5 52.2 -69.4 -43.0 54.8 8.9 21.7 189 184 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.856 106.5 54.3 -62.2 -34.2 51.8 9.0 23.9 190 185 A R H X S+ 0 0 111 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.838 109.4 47.7 -69.5 -32.5 49.6 9.8 20.9 191 186 A E H X S+ 0 0 87 -4,-1.3 4,-2.0 2,-0.2 3,-0.4 0.952 112.6 49.6 -68.8 -48.3 51.0 6.7 19.2 192 187 A F H X S+ 0 0 15 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.855 104.4 58.6 -58.0 -40.5 50.3 4.6 22.4 193 188 A A H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.890 108.3 45.6 -57.6 -42.0 46.7 5.9 22.6 194 189 A E H X S+ 0 0 133 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.874 111.4 52.5 -68.7 -41.1 46.0 4.5 19.2 195 190 A T H X S+ 0 0 54 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 112.5 44.6 -61.5 -41.9 47.7 1.2 20.0 196 191 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.958 113.3 48.4 -67.4 -52.3 45.6 0.8 23.2 197 192 A R H X S+ 0 0 45 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.888 112.6 50.9 -56.2 -39.1 42.3 1.8 21.6 198 193 A T H >X S+ 0 0 63 -4,-2.2 4,-0.7 1,-0.2 3,-0.7 0.925 112.3 44.6 -64.0 -47.3 43.0 -0.6 18.7 199 194 A A H 3X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 3,-0.2 0.794 111.4 56.3 -67.2 -28.6 43.8 -3.6 21.1 200 195 A L H 3< S+ 0 0 23 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.629 89.4 71.7 -80.5 -14.9 40.8 -2.7 23.1 201 196 A K H << S+ 0 0 136 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.928 116.3 24.9 -63.1 -41.6 38.3 -2.9 20.2 202 197 A E H < S+ 0 0 121 -4,-0.7 -2,-0.2 -3,-0.2 2,-0.1 0.898 124.4 51.2 -86.7 -49.5 38.9 -6.6 20.4 203 198 A R S < S- 0 0 79 -4,-2.5 2,-0.2 -5,-0.1 0, 0.0 -0.461 76.6-112.9 -98.8 164.7 39.9 -7.1 24.0 204 199 A S > - 0 0 56 -2,-0.1 3,-2.3 1,-0.1 6,-0.3 -0.631 32.4-116.4 -87.5 150.3 38.8 -6.2 27.6 205 200 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.1 -2,-0.2 -80,-0.0 0.784 117.3 54.2 -59.0 -30.2 40.9 -3.8 29.7 206 201 A D T 3 S+ 0 0 127 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.409 83.2 120.6 -84.6 0.9 41.6 -6.6 32.1 207 202 A D S <> S- 0 0 54 -3,-2.3 4,-2.5 1,-0.1 3,-0.5 -0.415 73.5-123.6 -65.8 144.2 42.9 -8.8 29.4 208 203 A S H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 111.2 58.2 -57.1 -35.5 46.4 -10.0 29.8 209 204 A I H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 110.0 43.3 -60.9 -44.1 47.4 -8.5 26.4 210 205 A I H > S+ 0 0 0 -3,-0.5 4,-2.6 -6,-0.3 5,-0.2 0.916 112.4 52.2 -68.9 -42.9 46.3 -5.1 27.6 211 206 A V H X S+ 0 0 80 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.943 113.8 44.6 -58.0 -45.1 47.9 -5.5 31.0 212 207 A T H X S+ 0 0 64 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.922 110.6 53.9 -64.1 -46.8 51.2 -6.4 29.2 213 208 A L H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 108.2 49.7 -54.2 -51.1 50.9 -3.6 26.7 214 209 A R H X S+ 0 0 55 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.857 108.6 52.9 -59.1 -38.4 50.5 -0.9 29.4 215 210 A E H X S+ 0 0 137 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.936 109.5 48.3 -63.6 -44.5 53.5 -2.3 31.2 216 211 A Q H X S+ 0 0 115 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.872 112.2 50.2 -62.7 -36.5 55.6 -2.0 28.1 217 212 A M H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.910 108.4 51.5 -68.9 -41.9 54.3 1.6 27.5 218 213 A Q H X S+ 0 0 98 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.894 110.1 50.8 -58.7 -43.6 55.1 2.6 31.1 219 214 A R H X S+ 0 0 181 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.888 110.8 47.2 -63.6 -41.3 58.6 1.3 30.6 220 215 A E H X S+ 0 0 42 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.888 111.7 51.0 -69.1 -38.0 59.1 3.2 27.4 221 216 A I H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.939 113.0 45.4 -63.3 -46.4 57.7 6.4 29.0 222 217 A F H X S+ 0 0 71 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.916 110.8 54.7 -62.7 -41.6 60.2 6.0 31.9 223 218 A R H < S+ 0 0 110 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.922 111.9 43.0 -56.4 -49.0 63.0 5.2 29.5 224 219 A L H >X S+ 0 0 30 -4,-2.4 3,-1.1 1,-0.2 4,-0.8 0.875 112.0 53.9 -66.9 -38.5 62.4 8.4 27.6 225 220 A M H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-1.5 0.944 104.6 55.7 -59.2 -49.1 61.9 10.5 30.8 226 221 A S H 3< S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.571 98.5 62.3 -61.6 -13.2 65.3 9.3 32.1 227 222 A L H <4 S+ 0 0 113 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.769 112.9 34.9 -81.5 -27.7 67.1 10.5 29.0 228 223 A F H << S+ 0 0 65 -3,-1.5 -54,-0.5 -4,-0.8 2,-0.3 0.668 132.9 10.5-100.2 -23.2 66.0 14.1 29.8 229 224 A M S < S- 0 0 4 -4,-1.7 -1,-0.3 -55,-0.1 2,-0.2 -0.964 78.9-113.5-148.0 154.9 66.2 14.1 33.6 230 225 A D - 0 0 116 -2,-0.3 -121,-0.1 -3,-0.1 -3,-0.1 -0.639 36.1-104.3 -88.3 153.0 67.6 11.6 36.1 231 226 A I - 0 0 90 -2,-0.2 -1,-0.1 1,-0.1 -125,-0.0 -0.458 60.3 -83.9 -68.6 143.0 65.3 9.7 38.5 232 227 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -64,-0.1 -0.217 39.1-115.6 -49.9 148.1 65.9 11.4 41.9 233 228 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.555 94.9 38.5 -62.0 -17.7 69.0 10.0 43.8 234 229 A V S S- 0 0 15 4,-0.0 6,-0.1 6,-0.0 5,-0.0 -0.985 80.6-122.4-138.0 147.5 66.9 8.6 46.7 235 230 A Q > - 0 0 139 -2,-0.3 3,-1.9 4,-0.1 -75,-0.1 -0.419 42.7 -95.2 -79.5 163.4 63.6 6.8 46.9 236 231 A P T 3 S+ 0 0 23 0, 0.0 23,-2.2 0, 0.0 24,-0.4 0.767 124.9 34.0 -53.9 -34.9 60.8 8.2 49.1 237 232 A N T 3 S+ 0 0 130 21,-0.1 2,-0.4 20,-0.1 -77,-0.0 0.245 98.8 107.5-105.0 14.4 61.6 6.2 52.2 238 233 A E S < S- 0 0 80 -3,-1.9 2,-0.1 1,-0.1 21,-0.1 -0.731 71.7-115.2 -96.5 137.9 65.3 6.1 51.6 239 234 A Q - 0 0 118 -2,-0.4 2,-0.3 18,-0.2 18,-0.3 -0.391 31.4-179.7 -73.3 146.0 67.7 8.1 53.7 240 235 A F E -R 256 0G 11 16,-2.7 16,-1.9 -2,-0.1 2,-0.4 -0.879 20.7-136.1-134.3 159.2 69.8 10.9 52.4 241 236 A T E -R 255 0G 88 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.990 16.7-165.7-120.6 134.5 72.3 13.1 54.1 242 237 A W E -R 254 0G 6 12,-3.1 12,-2.6 -2,-0.4 2,-0.4 -0.986 1.8-162.0-124.6 119.9 72.2 16.9 53.5 243 238 A E E +R 253 0G 138 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.871 22.6 158.2-100.7 136.9 75.2 19.1 54.6 244 239 A Y E -R 252 0G 26 8,-2.3 8,-2.7 -2,-0.4 2,-0.4 -0.961 36.0-122.5-152.9 167.3 74.6 22.8 54.8 245 240 A V E -R 251 0G 74 -2,-0.3 -147,-0.4 6,-0.2 6,-0.2 -0.931 24.9-145.5-116.0 133.4 75.8 26.0 56.4 246 241 A D > - 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