==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-SEP-11 3U0H . COMPND 2 MOLECULE: XYLOSE ISOMERASE DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS SUBSP. . AUTHOR M.E.CUFF,G.CHHOR,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR S . 558 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 31 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.7 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 0 2 2 0 0 2 5 5 0 0 0 0 0 0 0 3 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 3 4 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 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 0 A A 0 0 99 0, 0.0 2,-0.4 0, 0.0 241,-0.1 0.000 360.0 360.0 360.0 153.5 9.5 72.0 29.4 2 1 A X - 0 0 8 239,-0.2 240,-0.1 240,-0.1 272,-0.0 -0.700 360.0-170.9 -63.1 130.3 10.4 70.9 32.9 3 2 A E E -a 244 0A 47 240,-2.2 242,-3.0 -2,-0.4 2,-0.1 -0.930 27.1-103.1-135.4 156.3 8.2 73.1 35.2 4 3 A P E -a 245 0A 10 0, 0.0 26,-0.6 0, 0.0 25,-0.5 -0.417 35.4-164.3 -73.9 145.9 7.7 74.0 38.8 5 4 A C E -ab 246 30A 1 240,-2.0 242,-1.2 23,-0.1 2,-0.2 -0.995 17.4-123.0-134.4 134.8 4.7 72.4 40.4 6 5 A L E - b 0 31A 0 24,-2.2 26,-2.7 -2,-0.4 56,-0.1 -0.560 24.5-161.8 -82.4 140.9 3.0 73.5 43.6 7 6 A H > - 0 0 14 240,-0.3 3,-2.4 -2,-0.2 4,-0.5 -0.982 26.0-122.2-124.0 141.4 2.7 71.0 46.4 8 7 A P G > >S+ 0 0 20 0, 0.0 3,-1.1 0, 0.0 5,-0.5 0.776 107.3 62.2 -51.5 -37.0 0.4 71.1 49.5 9 8 A T G 3 5S+ 0 0 26 1,-0.2 239,-0.1 3,-0.1 -3,-0.0 0.657 94.0 64.3 -63.1 -21.0 3.2 70.9 52.1 10 9 A L G < 5S+ 0 0 0 -3,-2.4 2,-0.3 237,-0.2 -1,-0.2 0.802 104.2 46.9 -72.0 -28.0 4.6 74.2 50.8 11 10 A V T < 5S- 0 0 7 -3,-1.1 2,-1.8 -4,-0.5 248,-0.1 -0.806 81.2-124.1-122.2 155.4 1.6 76.2 51.9 12 11 A D T 5S+ 0 0 110 -2,-0.3 2,-0.4 2,-0.0 247,-0.1 -0.357 70.2 123.8 -96.5 59.7 -0.4 76.3 55.1 13 12 A E < + 0 0 58 -2,-1.8 -2,-0.1 -5,-0.5 -3,-0.0 -0.974 33.6 165.8-142.2 128.2 -3.6 75.5 53.4 14 13 A T + 0 0 125 -2,-0.4 2,-0.3 5,-0.0 -1,-0.1 0.665 55.5 97.0-113.8 -26.1 -6.3 73.0 53.6 15 14 A S > - 0 0 44 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.508 62.5-148.6 -68.0 127.5 -9.2 74.5 51.6 16 15 A L H > S+ 0 0 15 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.950 96.4 49.9 -59.6 -51.0 -9.3 73.2 48.1 17 16 A V H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 115.4 42.2 -54.2 -46.4 -10.7 76.5 46.6 18 17 A L H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.817 110.8 55.9 -76.0 -28.8 -8.0 78.6 48.3 19 18 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.967 110.0 45.9 -68.4 -46.7 -5.2 76.2 47.6 20 19 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.868 111.8 53.0 -63.0 -34.6 -6.0 76.4 43.9 21 20 A D H X S+ 0 0 42 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.899 107.0 51.2 -64.3 -46.0 -6.3 80.3 44.3 22 21 A L H X S+ 0 0 27 -4,-2.6 4,-2.4 2,-0.2 6,-0.2 0.898 107.3 54.3 -57.0 -42.4 -2.9 80.4 45.8 23 22 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -2,-0.2 0.947 113.5 41.1 -58.3 -49.6 -1.4 78.3 42.8 24 23 A R H ><5S+ 0 0 112 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.933 114.7 52.0 -60.1 -50.4 -2.8 80.8 40.3 25 24 A E H 3<5S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.6 49.8 -61.8 -35.1 -1.9 83.8 42.3 26 25 A T T 3<5S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.307 121.2-106.1 -91.9 12.6 1.7 82.7 42.7 27 26 A G T < 5 + 0 0 49 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.651 70.0 141.7 81.3 16.6 2.1 82.1 39.0 28 27 A Y < - 0 0 14 -5,-2.5 -1,-0.3 -6,-0.2 -23,-0.1 -0.583 30.0-177.9 -84.2 157.0 2.0 78.2 38.8 29 28 A R S S+ 0 0 124 -25,-0.5 31,-3.1 -2,-0.2 2,-0.4 0.613 71.1 64.9-112.9 -46.4 0.3 76.2 36.1 30 29 A Y E -bc 5 60A 40 -26,-0.6 -24,-2.2 29,-0.2 2,-0.4 -0.678 65.8-175.4 -81.4 127.4 1.0 72.6 37.5 31 30 A V E -bc 6 61A 0 29,-2.5 31,-3.0 -2,-0.4 2,-0.6 -0.991 20.1-148.2-124.5 132.9 -0.6 71.7 40.8 32 31 A D + 0 0 14 -26,-2.7 32,-0.1 -2,-0.4 29,-0.1 -0.872 27.6 171.6 -88.3 121.5 -0.2 68.6 42.9 33 32 A V - 0 0 1 -2,-0.6 32,-0.3 30,-0.4 30,-0.2 -0.986 34.5-118.8-133.4 124.1 -3.4 67.9 44.7 34 33 A P >> - 0 0 49 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.337 26.5-120.3 -60.1 146.5 -4.1 64.7 46.7 35 34 A F H 3> S+ 0 0 14 1,-0.3 4,-3.5 30,-0.2 5,-0.2 0.840 108.1 64.2 -63.5 -38.2 -7.1 62.8 45.3 36 35 A H H 3> S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.842 101.7 53.7 -52.3 -32.7 -9.2 62.9 48.5 37 36 A W H <> S+ 0 0 59 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.965 112.3 41.1 -69.0 -46.5 -9.3 66.6 48.1 38 37 A L H X S+ 0 0 0 -4,-1.3 4,-3.0 1,-0.2 -2,-0.2 0.876 114.4 53.0 -66.0 -39.9 -10.6 66.3 44.6 39 38 A E H X S+ 0 0 39 -4,-3.5 4,-2.6 2,-0.2 -1,-0.2 0.854 104.1 56.1 -60.4 -41.7 -13.0 63.4 45.6 40 39 A A H X S+ 0 0 52 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.929 114.0 41.2 -58.2 -46.2 -14.5 65.6 48.5 41 40 A E H X S+ 0 0 29 -4,-1.7 4,-3.3 2,-0.2 5,-0.4 0.943 110.2 55.7 -65.7 -48.7 -15.4 68.2 45.9 42 41 A A H X S+ 0 0 14 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.929 110.0 49.0 -52.9 -44.6 -16.6 65.8 43.2 43 42 A E H < S+ 0 0 149 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.894 115.9 41.1 -60.2 -42.8 -19.0 64.4 45.8 44 43 A R H < S+ 0 0 170 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.949 136.5 11.6 -72.9 -43.1 -20.3 67.8 46.9 45 44 A H H < S- 0 0 93 -4,-3.3 4,-0.5 1,-0.1 -2,-0.2 0.298 104.3-105.3-125.5 7.5 -20.6 69.3 43.5 46 45 A G X - 0 0 35 -4,-2.9 4,-1.0 -5,-0.4 3,-0.5 0.264 41.3 -79.0 75.9 154.2 -20.1 66.7 40.7 47 46 A D H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.756 123.8 60.1 -58.3 -35.0 -17.0 66.1 38.4 48 47 A A H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 101.0 53.1 -67.3 -43.1 -17.7 69.0 36.0 49 48 A A H > S+ 0 0 39 -4,-0.5 4,-1.5 -3,-0.5 -1,-0.2 0.873 107.9 53.4 -54.3 -39.3 -17.5 71.6 38.8 50 49 A V H X S+ 0 0 0 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.898 108.9 47.9 -67.9 -37.4 -14.1 70.2 39.7 51 50 A E H X S+ 0 0 65 -4,-1.7 4,-2.7 1,-0.2 3,-0.3 0.921 107.0 56.9 -70.6 -40.4 -12.8 70.5 36.2 52 51 A A H X S+ 0 0 44 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.849 100.5 58.3 -55.2 -37.4 -14.2 74.1 36.0 53 52 A X H < S+ 0 0 20 -4,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.890 112.6 39.8 -61.4 -43.6 -12.0 75.1 39.1 54 53 A F H ><>S+ 0 0 2 -4,-1.2 5,-2.7 -3,-0.3 3,-0.9 0.947 118.5 46.1 -67.2 -51.4 -8.8 74.0 37.3 55 54 A Q H ><5S+ 0 0 146 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.856 108.5 55.6 -68.2 -35.1 -9.9 75.5 33.9 56 55 A R T 3<5S+ 0 0 210 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.716 115.6 40.7 -64.6 -20.3 -11.1 78.8 35.3 57 56 A R T < 5S- 0 0 44 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.346 111.1-113.6-108.6 4.1 -7.6 79.2 36.9 58 57 A G T < 5 + 0 0 50 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.832 66.7 150.5 65.5 31.2 -5.3 78.0 34.1 59 58 A L < - 0 0 6 -5,-2.7 2,-0.4 -6,-0.1 -29,-0.2 -0.748 36.8-157.8-105.5 148.9 -4.2 75.0 36.2 60 59 A V E -c 30 0A 34 -31,-3.1 -29,-2.5 -2,-0.3 2,-0.4 -0.977 24.0-124.7-120.3 124.8 -3.1 71.4 35.3 61 60 A L E -c 31 0A 0 33,-3.4 -29,-0.2 -2,-0.4 3,-0.1 -0.540 22.2-158.9 -67.4 122.9 -3.3 68.5 37.8 62 61 A A - 0 0 6 -31,-3.0 35,-0.6 -2,-0.4 2,-0.3 0.760 56.1 -18.4 -74.0 -34.6 0.2 67.1 38.0 63 62 A N - 0 0 4 -32,-0.4 2,-0.5 33,-0.2 -30,-0.4 -0.992 51.7-117.0-168.4 158.7 -0.4 63.6 39.3 64 63 A L E -d 99 0A 1 34,-2.0 36,-1.6 -2,-0.3 2,-0.4 -0.902 22.6-142.7-118.0 111.0 -2.6 61.1 41.0 65 64 A G E -d 100 0A 34 -2,-0.5 -30,-0.2 -32,-0.3 36,-0.2 -0.466 47.6 -93.5 -59.1 117.2 -1.4 59.6 44.2 66 65 A L - 0 0 24 34,-2.7 2,-1.7 -2,-0.4 -1,-0.1 -0.047 36.7-143.6 -43.0 115.6 -2.7 56.0 44.0 67 66 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.373 69.6 63.6 -93.8 65.0 -6.1 56.0 45.7 68 67 A L S S- 0 0 27 -2,-1.7 2,-0.6 13,-0.0 9,-0.1 -0.936 83.0-107.5-160.6 172.7 -6.0 52.6 47.3 69 68 A N > - 0 0 77 -2,-0.3 3,-1.4 1,-0.1 11,-0.1 -0.915 16.5-156.5-113.2 118.1 -3.9 50.9 49.9 70 69 A L T 3 S+ 0 0 10 -2,-0.6 -1,-0.1 1,-0.3 51,-0.1 0.486 92.8 54.0 -72.0 -5.1 -1.6 48.2 48.5 71 70 A Y T 3 S+ 0 0 81 6,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.226 81.6 117.2-117.1 11.1 -1.6 46.5 51.9 72 71 A D S < S- 0 0 52 -3,-1.4 2,-0.0 1,-0.1 -4,-0.0 -0.131 78.8 -79.6 -70.6 170.1 -5.3 46.0 52.5 73 72 A S > - 0 0 68 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.294 51.1-104.5 -55.9 156.1 -7.1 42.7 52.8 74 73 A E H > S+ 0 0 59 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.923 117.9 51.1 -58.4 -48.8 -7.7 41.1 49.3 75 74 A P H > S+ 0 0 78 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.865 114.6 43.3 -62.8 -35.4 -11.5 41.9 49.2 76 75 A V H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 114.8 50.5 -73.8 -42.3 -10.9 45.6 50.0 77 76 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.944 110.5 48.1 -58.5 -51.9 -8.0 45.8 47.6 78 77 A L H X S+ 0 0 75 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.880 112.1 51.0 -57.7 -35.9 -9.9 44.2 44.8 79 78 A R H X S+ 0 0 138 -4,-1.4 4,-1.0 -5,-0.3 3,-0.2 0.944 111.2 45.8 -66.6 -49.7 -12.8 46.6 45.4 80 79 A E H < S+ 0 0 45 -4,-2.8 4,-0.5 1,-0.2 3,-0.2 0.850 109.1 57.7 -65.9 -27.9 -10.6 49.7 45.4 81 80 A L H >< S+ 0 0 12 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.872 103.2 53.8 -69.9 -32.0 -8.9 48.4 42.3 82 81 A S H 3< S+ 0 0 96 -4,-1.6 4,-0.3 1,-0.3 -1,-0.2 0.764 108.5 48.9 -70.5 -26.7 -12.2 48.3 40.5 83 82 A L T 3X S+ 0 0 78 -4,-1.0 4,-1.4 -3,-0.2 -1,-0.3 0.531 90.7 85.9 -87.4 -8.7 -12.8 51.8 41.4 84 83 A L H <> S+ 0 0 0 -3,-0.9 4,-3.6 -4,-0.5 5,-0.2 0.903 79.2 59.2 -67.8 -41.0 -9.4 53.0 40.1 85 84 A P H > S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.919 107.4 44.2 -54.0 -50.3 -10.2 53.5 36.4 86 85 A D H > S+ 0 0 115 -4,-0.3 4,-2.1 2,-0.2 5,-0.2 0.901 115.6 49.2 -62.8 -38.9 -12.9 56.1 36.9 87 86 A R H X S+ 0 0 46 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.928 113.1 47.7 -64.8 -43.0 -10.8 57.9 39.5 88 87 A A H X S+ 0 0 0 -4,-3.6 4,-2.5 1,-0.2 -2,-0.2 0.890 110.0 52.0 -64.8 -35.6 -7.9 57.8 37.1 89 88 A R H X S+ 0 0 121 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.913 107.4 52.2 -68.8 -38.5 -10.1 59.1 34.1 90 89 A L H X S+ 0 0 8 -4,-2.1 4,-0.9 1,-0.2 3,-0.2 0.960 112.5 46.1 -61.0 -43.7 -11.3 62.0 36.2 91 90 A C H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-0.7 0.891 107.4 56.3 -71.4 -35.2 -7.7 62.9 37.0 92 91 A A H ><5S+ 0 0 24 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.896 103.7 55.7 -54.5 -41.5 -6.6 62.5 33.3 93 92 A R H 3<5S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.713 106.7 49.9 -64.4 -29.0 -9.3 65.1 32.4 94 93 A L T <<5S- 0 0 10 -4,-0.9 -33,-3.4 -3,-0.7 -1,-0.3 0.371 131.4 -94.1 -88.7 -4.9 -7.6 67.5 34.8 95 94 A G T < 5S+ 0 0 21 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.354 75.3 140.0 115.5 -3.9 -4.2 66.8 33.2 96 95 A A < + 0 0 0 -5,-2.1 -1,-0.3 1,-0.1 -33,-0.2 -0.522 20.4 176.1 -73.3 139.7 -2.5 64.0 35.3 97 96 A R + 0 0 127 -35,-0.6 38,-1.8 -2,-0.2 2,-0.3 0.296 61.8 57.6-114.2 4.4 -0.5 61.4 33.2 98 97 A S E - e 0 135A 4 36,-0.2 -34,-2.0 -36,-0.2 2,-0.4 -0.952 56.8-157.0-143.2 147.4 0.9 59.4 36.1 99 98 A V E -de 64 136A 0 36,-2.6 38,-2.3 -2,-0.3 2,-0.3 -0.995 27.9-169.3-127.5 134.9 -0.3 57.5 39.2 100 99 A T E +de 65 137A 12 -36,-1.6 -34,-2.7 -2,-0.4 2,-0.3 -0.838 18.3 170.7-131.2 159.4 2.3 57.1 42.0 101 100 A A E - e 0 138A 19 36,-1.7 38,-3.6 -2,-0.3 2,-0.3 -0.971 26.5-123.1-158.1 159.8 3.0 55.3 45.3 102 101 A F E - e 0 139A 94 -2,-0.3 2,-0.4 36,-0.2 38,-0.2 -0.708 18.2-136.2-107.9 159.3 6.0 54.9 47.6 103 102 A L - 0 0 0 36,-2.0 38,-0.4 -2,-0.3 50,-0.1 -0.950 22.1-114.7-115.5 139.9 7.7 51.7 48.7 104 103 A W - 0 0 95 -2,-0.4 50,-0.7 1,-0.1 3,-0.1 -0.552 14.8-145.0 -71.8 133.4 8.7 51.0 52.3 105 104 A P S S+ 0 0 1 0, 0.0 48,-2.9 0, 0.0 2,-0.3 0.712 81.3 10.1 -72.4 -26.2 12.5 50.7 52.7 106 105 A S E -I 152 0B 3 46,-0.3 2,-0.3 40,-0.2 42,-0.1 -0.973 67.0-176.8-147.6 163.6 12.1 48.0 55.3 107 106 A X E -I 151 0B 3 44,-2.0 44,-2.5 -2,-0.3 7,-0.0 -0.988 31.5-133.7-154.1 160.9 9.4 45.8 56.8 108 107 A D S S+ 0 0 88 -2,-0.3 -1,-0.1 42,-0.2 2,-0.1 0.664 75.8 97.8 -90.6 -20.1 8.7 43.2 59.5 109 108 A E S S- 0 0 107 1,-0.1 -2,-0.1 42,-0.1 42,-0.1 -0.355 90.9 -86.1 -71.7 150.4 6.7 40.7 57.2 110 109 A E > - 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0 0 15 -5,-0.4 3,-1.0 1,-0.1 -1,-0.2 -0.970 53.6-140.9-120.2 136.7 4.3 45.6 33.7 170 169 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.743 94.2 58.4 -75.7 -18.2 5.6 47.8 30.9 171 170 A N T 3 S+ 0 0 14 -37,-0.1 -35,-2.5 2,-0.0 2,-0.5 -0.003 79.4 109.9-102.1 31.9 4.2 51.1 32.2 172 171 A V E < +f 136 0A 3 -3,-1.0 -35,-0.2 -37,-0.2 2,-0.1 -0.929 35.2 135.1-114.9 127.1 6.0 51.1 35.6 173 172 A G E -f 137 0A 0 -37,-3.5 -35,-2.1 -2,-0.5 2,-0.4 -0.387 45.4 -57.7-138.3-142.3 8.8 53.5 36.4 174 173 A A E -fg 138 199A 0 24,-3.7 26,-2.5 -37,-0.3 27,-1.1 -0.872 13.0-151.3-121.4 143.3 10.1 55.8 39.1 175 174 A L E -fg 139 201A 3 -37,-1.6 2,-0.7 -2,-0.4 -35,-0.6 -0.981 34.1-153.4 -97.8 118.5 8.9 58.9 41.1 176 175 A V E - g 0 202A 0 25,-2.2 27,-2.4 -2,-0.6 2,-0.4 -0.864 14.8-174.3-103.4 116.2 12.3 60.4 41.6 177 176 A D E >> - g 0 203A 1 -2,-0.7 4,-1.9 -37,-0.3 3,-1.0 -0.884 25.3-139.4-107.6 134.5 12.6 62.6 44.8 178 177 A S H 3> S+ 0 0 0 25,-2.1 4,-3.0 -2,-0.4 5,-0.2 0.817 103.4 62.2 -61.6 -28.5 15.9 64.5 45.4 179 178 A Y H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.865 109.5 39.1 -66.4 -34.2 15.6 63.7 49.0 180 179 A H H <> S+ 0 0 1 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.791 113.5 53.6 -88.0 -32.6 15.9 60.0 48.2 181 180 A W H <>S+ 0 0 11 -4,-1.9 5,-2.0 2,-0.2 4,-0.3 0.911 114.5 44.3 -63.6 -44.5 18.5 60.4 45.5 182 181 A Y H ><5S+ 0 0 17 -4,-3.0 3,-1.9 -5,-0.2 -2,-0.2 0.973 115.0 45.3 -62.2 -56.6 20.6 62.3 48.0 183 182 A T H 3<5S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 110.3 55.6 -62.9 -27.5 20.0 59.9 50.9 184 183 A A T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.495 110.9-122.8 -82.2 -2.7 20.7 56.8 48.7 185 184 A G T < 5 + 0 0 60 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.764 54.0 162.8 69.2 27.4 24.1 58.4 47.7 186 185 A E < - 0 0 29 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.289 30.1-129.4 -78.2 168.9 23.2 58.3 44.0 187 186 A H >> - 0 0 112 1,-0.1 3,-1.9 -2,-0.0 4,-0.9 -0.774 26.7-107.1-118.2 150.3 25.0 60.3 41.1 188 187 A E H >> S+ 0 0 29 -2,-0.3 4,-2.1 1,-0.3 3,-0.9 0.866 119.6 60.1 -40.0 -43.6 23.7 62.5 38.3 189 188 A D H 3> S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.719 91.9 65.4 -66.7 -25.1 24.5 59.6 35.9 190 189 A D H <4 S+ 0 0 66 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.905 111.6 36.5 -60.4 -36.1 22.1 57.2 37.7 191 190 A L H X< S+ 0 0 0 -4,-0.9 3,-1.3 -3,-0.9 -2,-0.2 0.841 111.8 58.4 -85.7 -39.0 19.3 59.5 36.6 192 191 A A H 3< S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 101.6 56.3 -61.5 -26.0 20.7 60.3 33.2 193 192 A Q T 3< S+ 0 0 141 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.452 84.0 106.1 -91.9 -1.2 20.8 56.7 32.1 194 193 A L S < S- 0 0 4 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.600 81.3-110.3 -71.2 136.8 17.1 56.1 32.8 195 194 A P >> - 0 0 58 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.449 32.4-116.8 -65.3 144.7 14.9 55.8 29.8 196 195 A P G >4 S+ 0 0 64 0, 0.0 3,-1.1 0, 0.0 46,-0.1 0.785 113.2 58.3 -53.6 -38.3 12.7 58.9 29.6 197 196 A E G 34 S+ 0 0 100 1,-0.2 43,-0.1 42,-0.1 -24,-0.0 0.670 96.9 64.5 -73.0 -13.3 9.5 57.1 30.1 198 197 A K G <4 S+ 0 0 40 -3,-2.3 -24,-3.7 -25,-0.1 2,-1.1 0.678 83.3 79.0 -85.3 -13.7 10.8 55.7 33.4 199 198 A V E << +g 174 0A 1 -3,-1.1 -24,-0.2 -4,-0.5 -1,-0.1 -0.801 57.9 163.5 -89.9 98.1 10.9 59.2 35.0 200 199 A V E - 0 0 6 -26,-2.5 2,-0.3 -2,-1.1 -25,-0.2 0.856 60.9 -9.0 -87.8 -42.9 7.2 59.4 35.8 201 200 A Y E -g 175 0A 1 -27,-1.1 -25,-2.2 -3,-0.2 2,-0.4 -0.977 64.2-141.2-160.7 155.8 7.2 62.3 38.3 202 201 A V E -gh 176 245A 0 42,-0.8 44,-2.3 -2,-0.3 2,-0.4 -0.973 5.8-163.4-134.4 134.3 9.7 64.3 40.2 203 202 A H E -gh 177 246A 5 -27,-2.4 -25,-2.1 -2,-0.4 2,-0.3 -0.972 8.6-166.3-113.6 143.3 10.1 65.8 43.7 204 203 A I E + h 0 247A 0 42,-2.6 44,-0.6 -2,-0.4 2,-0.3 -0.896 26.0 123.1-124.0 154.0 12.5 68.4 44.7 205 204 A N - 0 0 0 -2,-0.3 2,-0.3 42,-0.2 18,-0.3 -0.925 37.3-125.8 174.6-173.9 13.6 69.6 48.3 206 205 A D B -J 220 0C 2 14,-1.4 14,-2.1 -2,-0.3 2,-0.3 -0.904 12.9-168.7-152.6 173.6 16.7 70.0 50.4 207 206 A T - 0 0 2 -2,-0.3 19,-2.5 12,-0.2 20,-0.3 -0.920 23.6-147.2-166.4 149.7 18.6 69.2 53.7 208 207 A R S S+ 0 0 189 -2,-0.3 2,-0.2 17,-0.2 -1,-0.0 0.482 74.9 99.3 -98.8 -4.5 21.7 70.3 55.6 209 208 A D S S- 0 0 70 1,-0.1 17,-0.1 2,-0.1 -2,-0.1 -0.481 82.7-105.0 -78.0 148.5 22.2 66.8 57.0 210 209 A A >> - 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0 0 15 -2,-0.2 3,-2.7 -16,-0.2 4,-0.3 -0.504 63.2 -83.0 -66.8 140.1 12.8 74.3 50.9 222 221 A P T 3 S+ 0 0 0 0, 0.0 -16,-0.1 0, 0.0 -1,-0.1 -0.151 119.1 18.5 -43.7 126.9 14.7 73.7 47.6 223 222 A G T 3 S+ 0 0 43 -18,-0.3 -2,-0.1 4,-0.1 -17,-0.0 0.377 93.8 98.5 86.7 -3.3 17.9 75.6 47.9 224 223 A D S < S+ 0 0 55 -3,-2.7 2,-0.1 0, 0.0 -18,-0.0 0.464 87.9 37.0 -89.9 6.0 18.2 76.1 51.7 225 224 A G S S- 0 0 30 -4,-0.3 -17,-0.2 2,-0.1 -19,-0.0 -0.290 94.1 -83.3-133.2-150.4 20.6 73.1 52.0 226 225 A R S S+ 0 0 149 -19,-2.5 -18,-0.1 -17,-0.1 -20,-0.1 0.390 70.7 121.4-112.1 2.4 23.4 71.0 50.6 227 226 A I S S- 0 0 9 -20,-0.3 2,-1.3 1,-0.1 3,-0.1 -0.468 70.4-118.2 -69.7 132.4 21.8 68.6 48.0 228 227 A P > + 0 0 64 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.599 43.8 170.2 -73.9 94.1 23.3 69.1 44.5 229 228 A L H > + 0 0 9 -2,-1.3 4,-2.3 2,-0.2 5,-0.2 0.761 66.6 59.4 -87.8 -26.6 20.1 70.2 42.8 230 229 A V H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.960 110.1 43.5 -64.7 -49.7 21.5 71.3 39.5 231 230 A P H > S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.838 112.1 56.4 -61.3 -34.7 23.0 67.8 38.8 232 231 A F H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.966 115.1 35.5 -56.6 -55.7 19.8 66.3 40.0 233 232 A L H X S+ 0 0 0 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.893 115.1 55.8 -64.9 -42.0 17.7 68.2 37.5 234 233 A R H X S+ 0 0 91 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.955 107.9 49.4 -60.5 -44.6 20.3 68.1 34.8 235 234 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.900 112.6 46.6 -60.0 -42.3 20.3 64.3 35.0 236 235 A L H X>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 4,-1.3 0.951 112.0 52.3 -66.9 -45.8 16.6 64.1 34.8 237 236 A Y H <5S+ 0 0 53 -4,-3.5 3,-0.4 1,-0.2 -2,-0.2 0.861 109.5 47.7 -54.7 -43.8 16.7 66.6 31.9 238 237 A L H <5S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 105.2 60.1 -73.3 -31.1 19.3 64.4 30.0 239 238 A A H <5S- 0 0 8 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.867 125.0-108.6 -49.5 -40.1 17.1 61.4 30.7 240 239 A G T <5 + 0 0 26 -4,-1.3 2,-0.3 -3,-0.4 -3,-0.2 0.558 60.2 160.4 112.7 20.5 14.4 63.3 28.8 241 240 A Y < + 0 0 13 -5,-2.0 -1,-0.2 1,-0.1 -239,-0.2 -0.590 8.4 171.6 -75.0 132.9 12.0 64.3 31.5 242 241 A R + 0 0 117 -2,-0.3 -240,-0.1 -241,-0.1 -1,-0.1 -0.399 43.7 72.8-140.3 56.3 9.7 67.2 30.5 243 242 A G S S- 0 0 6 1,-0.1 -240,-2.2 -240,-0.1 2,-0.1 -0.604 80.8 -24.5-147.4-153.2 7.1 67.7 33.1 244 243 A P E -a 3 0A 13 0, 0.0 -42,-0.8 0, 0.0 2,-0.5 -0.416 36.2-161.1 -77.8 143.4 6.3 69.0 36.6 245 244 A V E -ah 4 202A 0 -242,-3.0 -240,-2.0 -2,-0.1 2,-0.4 -0.963 16.9-158.0-120.0 109.6 8.8 69.2 39.4 246 245 A A E -ah 5 203A 0 -44,-2.3 -42,-2.6 -2,-0.5 2,-1.5 -0.734 17.4-134.6 -96.9 134.4 7.0 69.4 42.8 247 246 A A E - 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0 0 7 272,-0.1 241,-0.1 239,-0.1 240,-0.0 -0.650 360.0-168.0 -71.7 143.5 -1.5 7.6 40.3 283 2 B E E -k 524 0D 44 240,-1.8 242,-2.5 -2,-0.3 25,-0.0 -0.998 24.2 -99.9-137.4 146.5 1.3 5.2 39.4 284 3 B P E -k 525 0D 9 0, 0.0 26,-0.8 0, 0.0 25,-0.6 -0.315 34.8-158.1 -59.5 144.2 4.8 4.4 40.9 285 4 B C E -kl 526 310D 0 240,-1.7 242,-1.3 24,-0.1 2,-0.3 -0.984 17.7-122.6-127.8 131.6 7.8 6.0 39.1 286 5 B L E - l 0 311D 0 24,-1.9 26,-3.1 -2,-0.4 242,-0.1 -0.639 27.3-164.0 -73.6 128.8 11.4 4.7 39.2 287 6 B H >> - 0 0 11 -2,-0.3 3,-1.5 240,-0.3 4,-0.5 -0.916 25.8-125.6-106.5 143.6 13.8 7.4 40.5 288 7 B P G >4 S+ 0 0 24 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.907 106.0 71.4 -58.6 -38.8 17.6 7.0 40.0 289 8 B T G 34 S+ 0 0 26 1,-0.3 239,-0.1 -3,-0.0 -3,-0.0 0.788 93.4 60.0 -43.1 -32.1 18.2 7.4 43.7 290 9 B L G <4 S+ 0 0 0 -3,-1.5 2,-0.3 237,-0.2 -1,-0.3 0.881 104.6 50.7 -64.0 -40.6 16.7 4.0 44.1 291 10 B V << - 0 0 12 -3,-1.8 -1,-0.1 -4,-0.5 8,-0.0 -0.798 62.9-142.3-116.3 148.6 19.2 2.1 41.9 292 11 B D S S+ 0 0 117 -2,-0.3 -1,-0.1 2,-0.0 7,-0.1 0.859 72.1 116.7 -62.1 -35.1 22.9 1.6 41.4 293 12 B E + 0 0 63 1,-0.2 -2,-0.2 5,-0.1 -3,-0.0 -0.084 32.3 167.2 -40.8 115.8 22.2 1.5 37.6 294 13 B T + 0 0 125 23,-0.0 2,-0.5 5,-0.0 -1,-0.2 0.193 51.0 88.4-118.3 11.1 24.0 4.6 36.0 295 14 B S S > S- 0 0 50 1,-0.1 4,-3.1 0, 0.0 5,-0.3 -0.949 73.7-137.8-111.8 127.2 23.6 3.5 32.3 296 15 B L H > S+ 0 0 6 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.898 101.9 46.3 -54.2 -50.3 20.4 4.6 30.5 297 16 B V H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.917 116.2 45.5 -55.8 -43.6 19.7 1.3 28.7 298 17 B L H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.949 112.4 50.7 -72.1 -45.1 20.3 -0.7 31.9 299 18 B Y H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.902 112.6 47.3 -49.3 -48.4 18.2 1.6 34.0 300 19 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.933 109.2 54.0 -69.8 -39.5 15.4 1.3 31.5 301 20 B D H X S+ 0 0 44 -4,-2.8 4,-3.1 -5,-0.2 -1,-0.2 0.906 109.2 49.3 -56.8 -41.1 15.8 -2.5 31.4 302 21 B L H X S+ 0 0 7 -4,-2.4 4,-3.3 2,-0.2 6,-0.2 0.921 107.0 52.8 -65.8 -46.7 15.4 -2.6 35.2 303 22 B A H <>S+ 0 0 0 -4,-2.4 5,-1.6 2,-0.2 4,-0.5 0.925 113.8 46.0 -53.2 -44.6 12.3 -0.4 35.2 304 23 B R H ><5S+ 0 0 150 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.990 114.4 45.8 -61.8 -56.4 10.8 -2.8 32.7 305 24 B E H 3<5S+ 0 0 114 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.809 111.9 51.5 -65.6 -27.2 11.9 -5.9 34.6 306 25 B T T 3<5S- 0 0 1 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.435 119.5-105.4 -91.7 3.5 10.6 -4.5 37.9 307 26 B G T < 5 + 0 0 48 -3,-2.2 -3,-0.2 -4,-0.5 -2,-0.1 0.255 68.7 141.4 104.6 -7.2 7.1 -3.6 36.5 308 27 B Y < - 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