==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAY-11 3S6O . COMPND 2 MOLECULE: POLYSACCHARIDE DEACETYLASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1221 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.3 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 . 4 0.3 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 . 95 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 367 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.7 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 0 4 0 4 4 0 4 8 0 0 4 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 4 4 8 0 0 0 4 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 . 0 0 0 0 0 4 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 . 0 0 0 0 0 0 0 0 4 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 3 A F 0 0 122 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.5 -2.3 -17.2 -73.9 2 4 A D > - 0 0 63 1,-0.1 3,-1.8 2,-0.1 0, 0.0 0.913 360.0-174.6 45.5 60.5 -4.4 -16.2 -70.9 3 5 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.843 79.9 50.6 -51.9 -39.4 -3.4 -12.5 -70.9 4 6 A N T 3 S+ 0 0 87 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.445 74.7 137.1 -82.3 -3.9 -5.3 -11.8 -67.7 5 7 A Y < - 0 0 30 -3,-1.8 2,-0.7 1,-0.1 345,-0.0 -0.259 49.4-144.2 -46.4 119.5 -3.7 -14.7 -65.7 6 8 A P + 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.216 68.8 84.9 -91.3 41.6 -2.9 -13.3 -62.2 7 9 A R - 0 0 18 -2,-0.7 2,-0.9 337,-0.0 3,-0.1 -0.988 68.8-139.6-132.6 137.6 0.4 -15.3 -61.5 8 10 A D + 0 0 85 -2,-0.4 377,-0.1 1,-0.2 -3,-0.0 -0.825 29.1 166.0 -94.0 99.9 3.8 -14.3 -62.6 9 11 A L S S+ 0 0 6 -2,-0.9 -1,-0.2 404,-0.2 405,-0.1 0.656 73.5 53.4 -79.3 -20.0 5.5 -17.5 -63.7 10 12 A I > + 0 0 65 1,-0.2 3,-1.8 -3,-0.1 2,-0.1 0.911 69.5 162.0 -92.5 -48.0 8.3 -15.7 -65.4 11 13 A G T 3 S- 0 0 24 1,-0.3 -1,-0.2 179,-0.0 -2,-0.1 -0.451 77.8 -14.1 72.4-131.4 9.8 -13.3 -62.8 12 14 A Y T > S- 0 0 59 1,-0.2 3,-0.7 373,-0.2 -1,-0.3 0.583 92.4-149.4 -77.5 -16.2 13.3 -12.2 -63.8 13 15 A G T < - 0 0 14 -3,-1.8 -1,-0.2 372,-0.3 376,-0.1 -0.385 55.8 -25.9 71.3-156.5 13.6 -14.8 -66.5 14 16 A R T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.769 135.4 45.1 -68.6 -24.6 17.0 -16.2 -67.3 15 17 A H S < S- 0 0 153 -3,-0.7 -1,-0.2 3,-0.0 3,-0.1 -0.885 76.0-159.0-125.0 96.1 19.1 -13.2 -66.3 16 18 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.329 31.9 -91.6 -67.9 160.0 18.1 -11.6 -62.9 17 19 A V - 0 0 56 1,-0.1 2,-0.6 235,-0.1 3,-0.1 -0.235 48.2 -94.7 -61.4 154.5 19.0 -8.1 -62.1 18 20 A Q - 0 0 86 1,-0.2 -1,-0.1 -3,-0.1 234,-0.1 -0.693 28.1-153.7 -74.4 120.1 22.3 -7.4 -60.3 19 21 A A - 0 0 0 -2,-0.6 -1,-0.2 234,-0.4 283,-0.1 0.867 11.7-160.6 -59.6 -43.2 21.6 -7.3 -56.5 20 22 A N - 0 0 98 5,-0.1 3,-0.1 1,-0.1 4,-0.1 0.927 18.2-164.0 57.4 50.1 24.6 -5.0 -55.9 21 23 A W > - 0 0 6 4,-0.4 3,-1.3 1,-0.1 4,-0.2 -0.211 29.4 -85.1 -61.5 154.0 24.6 -6.0 -52.2 22 24 A P G > S+ 0 0 58 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.293 117.0 20.7 -57.4 143.7 26.6 -3.8 -49.8 23 25 A G G 3 S- 0 0 66 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.688 127.0 -80.3 71.9 20.7 30.3 -4.8 -49.5 24 26 A R G < S- 0 0 171 -3,-1.3 -1,-0.3 1,-0.2 -4,-0.1 0.834 71.5-166.5 53.2 38.0 30.0 -6.5 -52.9 25 27 A A < - 0 0 4 -3,-1.2 -4,-0.4 -4,-0.2 262,-0.2 -0.242 25.0-150.3 -57.5 136.0 28.4 -9.5 -51.1 26 28 A R S S+ 0 0 52 260,-2.8 228,-0.8 1,-0.3 2,-0.3 0.762 83.8 9.0 -75.6 -25.7 28.1 -12.7 -53.1 27 29 A V E -ab 254 287A 0 259,-1.1 261,-2.1 226,-0.2 2,-0.5 -0.991 66.3-135.4-153.1 145.3 25.0 -13.6 -51.0 28 30 A A E -ab 255 288A 0 226,-1.9 228,-2.6 -2,-0.3 2,-0.4 -0.926 21.8-157.5-101.8 126.6 22.7 -12.0 -48.5 29 31 A V E -ab 256 289A 0 259,-3.1 261,-2.5 -2,-0.5 2,-0.5 -0.870 9.4-174.5-109.8 126.2 21.9 -14.3 -45.6 30 32 A Q E -a 257 0A 0 226,-2.4 228,-2.1 -2,-0.4 2,-0.4 -0.910 7.8-159.6-128.2 102.7 18.7 -13.5 -43.6 31 33 A F E -a 258 0A 0 -2,-0.5 66,-2.1 64,-0.4 2,-0.5 -0.683 7.9-157.5 -84.8 131.9 17.9 -15.5 -40.5 32 34 A V E -ac 259 97A 0 226,-3.5 228,-1.4 -2,-0.4 2,-0.7 -0.953 6.7-163.4-110.7 127.3 14.3 -15.5 -39.3 33 35 A L E -ac 260 98A 0 64,-2.7 66,-1.9 -2,-0.5 2,-0.2 -0.923 13.5-153.6-106.7 101.9 13.3 -16.2 -35.8 34 36 A N E -ac 261 99A 1 226,-2.8 228,-0.9 -2,-0.7 2,-0.5 -0.552 7.2-166.5 -67.1 133.8 9.6 -17.0 -35.7 35 37 A Y E + c 0 100A 1 64,-2.9 66,-3.0 -2,-0.2 70,-0.2 -0.866 35.6 134.3-126.6 98.2 8.0 -16.2 -32.3 36 38 A E > + 0 0 3 -2,-0.5 3,-2.8 64,-0.2 4,-0.3 0.527 27.4 121.5-116.7 -21.5 4.6 -17.9 -32.2 37 39 A E T 3 S+ 0 0 0 1,-0.3 70,-0.1 2,-0.2 64,-0.0 -0.279 80.4 24.8 -60.2 119.2 4.6 -19.5 -28.8 38 40 A G T 3 S+ 0 0 0 -2,-0.2 -1,-0.3 91,-0.1 4,-0.0 0.191 115.4 68.7 107.1 -16.7 1.7 -18.1 -26.8 39 41 A G S < S+ 0 0 0 -3,-2.8 90,-2.3 64,-0.1 -2,-0.2 0.394 74.8 106.5-110.5 1.4 -0.2 -17.4 -29.9 40 42 A E S S- 0 0 2 -4,-0.3 2,-0.3 1,-0.2 90,-0.1 0.040 85.4 -61.1 -77.7 177.1 -1.0 -20.9 -31.2 41 43 A N S S+ 0 0 39 88,-0.4 10,-1.1 9,-0.1 2,-0.3 -0.488 71.7 146.1 -62.4 127.4 -4.3 -22.8 -31.2 42 44 A C > > - 0 0 4 -2,-0.3 3,-1.8 8,-0.2 5,-1.6 -0.954 56.6-129.4-162.1 137.9 -5.5 -23.2 -27.7 43 45 A V G > 5S+ 0 0 46 -2,-0.3 3,-1.4 22,-0.3 23,-0.1 0.836 109.6 67.4 -60.2 -26.2 -8.9 -23.3 -26.1 44 46 A L G 3 5S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.762 99.5 50.4 -58.8 -25.9 -7.5 -20.7 -23.7 45 47 A H G < 5S- 0 0 27 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.479 126.5 -98.8 -95.2 -3.0 -7.3 -18.3 -26.6 46 48 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.497 78.7 139.7 94.5 5.5 -10.9 -18.9 -27.7 47 49 A D < - 0 0 19 -5,-1.6 -1,-0.3 1,-0.1 -2,-0.1 -0.444 61.9-121.0 -75.2 154.0 -10.0 -21.3 -30.4 48 50 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 0.821 84.6 1.6 -59.2 -33.8 -12.1 -24.5 -31.0 49 51 A A S S- 0 0 21 15,-0.2 3,-0.1 -7,-0.1 -2,-0.1 -0.897 80.8 -74.2-157.9 174.0 -9.2 -26.9 -30.4 50 52 A S - 0 0 9 13,-1.9 -8,-0.2 -2,-0.3 16,-0.1 -0.251 58.3 -84.3 -82.0 163.2 -5.6 -27.6 -29.5 51 53 A E + 0 0 4 -10,-1.1 -1,-0.1 16,-0.1 12,-0.1 -0.316 39.6 172.9 -73.1 144.5 -2.7 -27.0 -31.8 52 54 A Q + 0 0 108 -3,-0.1 8,-0.5 10,-0.1 3,-0.3 0.566 50.2 86.2-114.9 -22.5 -1.6 -29.7 -34.3 53 55 A F S S+ 0 0 66 1,-0.2 171,-0.1 6,-0.1 5,-0.1 -0.658 89.4 1.9 -99.6 138.4 1.1 -28.1 -36.4 54 56 A L S S+ 0 0 6 169,-0.5 2,-0.2 -2,-0.3 -1,-0.2 0.938 90.5 119.7 64.0 57.1 4.9 -27.9 -35.8 55 57 A S S S- 0 0 2 168,-0.3 -1,-0.2 -3,-0.3 15,-0.1 -0.732 79.9 -96.2-131.2-173.5 5.4 -29.9 -32.6 56 58 A E S S+ 0 0 5 -2,-0.2 2,-1.0 1,-0.2 14,-0.0 0.610 111.9 74.0 -79.7 -15.4 7.3 -32.9 -31.4 57 59 A I S > S- 0 0 49 1086,-0.0 3,-1.6 -4,-0.0 -1,-0.2 -0.741 77.7-160.8 -98.2 81.7 4.0 -35.0 -31.9 58 60 A V T 3 S+ 0 0 29 -2,-1.0 166,-0.1 1,-0.3 -5,-0.1 -0.473 77.8 21.4 -68.8 132.9 3.9 -35.2 -35.8 59 61 A G T 3 S+ 0 0 75 -7,-0.3 -1,-0.3 1,-0.2 -6,-0.1 0.625 90.5 177.2 85.3 14.9 0.4 -36.0 -37.0 60 62 A A < - 0 0 8 -3,-1.6 -1,-0.2 -8,-0.5 2,-0.1 -0.138 25.5-124.7 -53.7 142.8 -1.1 -34.8 -33.7 61 63 A A - 0 0 46 1,-0.0 2,-0.5 -10,-0.0 -1,-0.1 -0.447 20.2-119.4 -78.5 156.6 -4.9 -34.8 -33.3 62 64 A A - 0 0 43 -2,-0.1 -11,-0.1 -13,-0.1 -10,-0.1 -0.897 28.0-162.9 -94.4 132.9 -6.9 -31.7 -32.4 63 65 A Y - 0 0 29 -2,-0.5 -13,-1.9 2,-0.2 2,-1.9 -0.911 26.7-131.1-109.4 142.3 -8.9 -31.8 -29.1 64 66 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.380 95.1 52.4 -77.9 56.1 -11.7 -29.4 -28.1 65 67 A A S S- 0 0 29 -2,-1.9 2,-0.4 1023,-0.0 -22,-0.3 -0.939 109.3 -59.8-172.3 175.3 -9.9 -29.2 -24.8 66 68 A R - 0 0 56 -2,-0.3 2,-0.8 -24,-0.1 -24,-0.1 -0.678 39.7-153.2 -79.9 129.2 -6.4 -28.4 -23.6 67 69 A H > - 0 0 10 -2,-0.4 4,-2.1 1,-0.2 3,-0.2 -0.880 8.6-165.1 -98.1 101.2 -3.7 -30.8 -24.9 68 70 A M H > S+ 0 0 29 -2,-0.8 4,-2.5 1,-0.2 5,-0.3 0.914 83.1 52.0 -60.9 -45.2 -1.1 -30.6 -22.2 69 71 A S H > S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.908 112.5 48.2 -56.4 -44.2 1.8 -32.3 -24.1 70 72 A M H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.868 110.0 52.4 -65.3 -40.5 1.3 -29.8 -26.9 71 73 A E H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.931 112.0 43.3 -66.1 -39.8 1.2 -26.9 -24.5 72 74 A S H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.851 109.4 58.0 -80.0 -28.7 4.5 -27.8 -22.8 73 75 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.3 -1,-0.2 0.947 111.7 41.5 -56.4 -49.7 6.1 -28.4 -26.2 74 76 A Y H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.8 0.904 110.9 57.8 -62.2 -41.8 5.2 -24.8 -27.2 75 77 A E H 3X S+ 0 0 11 -4,-2.4 4,-2.6 1,-0.3 5,-0.3 0.823 94.3 66.4 -61.5 -31.3 6.2 -23.6 -23.7 76 78 A Y H 3X>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 4,-2.4 0.898 98.6 53.1 -53.5 -44.8 9.7 -25.0 -24.3 77 79 A G H <<>S+ 0 0 0 -3,-0.8 5,-2.2 -4,-0.8 -1,-0.2 0.905 116.0 36.5 -58.1 -45.4 10.2 -22.4 -27.1 78 80 A S H <5S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.799 122.6 44.0 -81.0 -28.3 9.3 -19.4 -24.9 79 81 A R H <5S- 0 0 7 -4,-2.6 852,-0.2 -5,-0.2 853,-0.2 0.828 137.2 -11.9 -81.9 -38.4 10.9 -20.7 -21.7 80 82 A A T X5S+ 0 0 7 -4,-2.4 4,-1.6 -5,-0.3 -3,-0.2 0.647 120.0 63.3-137.8 -54.7 14.2 -22.1 -23.0 81 83 A G H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 106.8 55.7 -66.1 -37.9 17.2 -17.8 -25.2 84 86 A R H X S+ 0 0 2 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.894 112.2 43.7 -59.9 -41.8 19.5 -20.5 -26.6 85 87 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 3,-0.4 0.940 113.2 49.6 -67.5 -48.7 19.1 -19.1 -30.0 86 88 A L H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.871 107.3 56.7 -61.1 -36.4 19.5 -15.4 -28.9 87 89 A R H X S+ 0 0 94 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.885 106.7 49.3 -59.8 -38.6 22.6 -16.3 -27.0 88 90 A E H X S+ 0 0 9 -4,-1.1 4,-1.5 -3,-0.4 -2,-0.2 0.918 112.7 45.5 -70.8 -46.8 24.3 -17.7 -30.1 89 91 A F H X>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-0.6 0.925 114.3 49.9 -59.5 -43.5 23.5 -14.7 -32.3 90 92 A D H ><5S+ 0 0 97 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.928 107.4 52.6 -63.0 -47.3 24.6 -12.4 -29.5 91 93 A K H 3<5S+ 0 0 154 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 115.2 43.0 -56.3 -34.7 27.9 -14.2 -29.0 92 94 A R H 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.454 107.9-123.9 -92.7 -2.9 28.6 -13.8 -32.7 93 95 A G T <<5 + 0 0 67 -3,-1.2 -3,-0.2 -4,-0.6 -4,-0.1 0.850 62.0 144.6 63.2 35.3 27.4 -10.2 -33.0 94 96 A L < - 0 0 40 -5,-2.2 -1,-0.2 -6,-0.1 2,-0.2 -0.839 41.5-136.8-110.8 142.5 24.9 -11.2 -35.7 95 97 A P + 0 0 17 0, 0.0 -64,-0.4 0, 0.0 2,-0.3 -0.568 20.2 179.3 -91.3 159.9 21.4 -9.7 -36.4 96 98 A L - 0 0 0 -2,-0.2 25,-1.6 -66,-0.1 2,-0.4 -0.880 26.6-116.6-145.4 174.8 18.2 -11.6 -37.2 97 99 A T E -cd 32 121A 0 -66,-2.1 -64,-2.7 -2,-0.3 2,-0.5 -0.991 22.6-142.6-119.1 131.3 14.5 -10.7 -37.9 98 100 A V E -cd 33 122A 0 23,-3.3 25,-3.4 -2,-0.4 2,-1.0 -0.772 2.4-151.7 -92.2 132.2 11.8 -11.9 -35.6 99 101 A F E -cd 34 123A 0 -66,-1.9 -64,-2.9 -2,-0.5 2,-0.5 -0.872 31.4-163.1 -98.0 97.0 8.5 -12.9 -37.2 100 102 A G E -cd 35 124A 0 23,-2.8 25,-2.8 -2,-1.0 2,-0.5 -0.774 18.1-144.5 -98.7 120.3 6.5 -12.0 -34.1 101 103 A V > - 0 0 0 -66,-3.0 4,-2.9 -2,-0.5 26,-0.2 -0.714 20.4-134.5 -76.3 127.6 3.0 -13.2 -33.5 102 104 A G H > S+ 0 0 0 24,-2.9 4,-2.5 -2,-0.5 25,-0.2 0.889 101.4 46.9 -52.6 -50.0 1.2 -10.4 -31.7 103 105 A M H > S+ 0 0 11 24,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.927 113.6 48.8 -61.5 -43.9 -0.5 -12.5 -29.1 104 106 A A H >> S+ 0 0 0 23,-0.2 4,-1.2 2,-0.2 3,-0.6 0.933 109.2 53.1 -61.5 -43.8 2.7 -14.3 -28.3 105 107 A I H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 7,-0.3 0.925 109.0 50.4 -54.7 -46.8 4.6 -11.0 -28.0 106 108 A E H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 106.3 54.8 -62.2 -26.8 2.0 -9.7 -25.5 107 109 A R H << S+ 0 0 26 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.758 118.5 32.8 -84.2 -20.6 2.3 -12.9 -23.4 108 110 A H S+ 0 0 55 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.833 72.8 57.3 -57.3 -34.7 6.7 -8.7 -23.0 110 112 A E H > S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.899 110.5 45.0 -64.5 -37.7 10.2 -8.9 -21.3 111 113 A L H > S+ 0 0 0 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.914 109.2 55.3 -69.8 -42.0 11.4 -11.2 -24.1 112 114 A A H X S+ 0 0 2 -4,-2.2 4,-1.0 -7,-0.3 -2,-0.2 0.877 110.2 45.8 -58.0 -41.0 9.8 -9.0 -26.7 113 115 A R H X S+ 0 0 139 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.772 106.6 60.1 -70.7 -30.4 11.8 -6.0 -25.4 114 116 A A H X S+ 0 0 3 -4,-1.5 4,-2.0 -5,-0.2 6,-0.2 0.887 100.5 55.5 -65.1 -33.9 14.9 -8.2 -25.3 115 117 A F H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 -1,-0.2 0.913 112.0 42.7 -60.9 -46.1 14.6 -8.7 -29.1 116 118 A V H ><5S+ 0 0 50 -4,-1.0 3,-1.4 1,-0.2 -2,-0.2 0.888 111.8 53.9 -68.4 -42.7 14.6 -4.9 -29.5 117 119 A E H 3<5S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.825 106.0 53.8 -57.2 -35.9 17.5 -4.5 -27.0 118 120 A L T 3<5S- 0 0 34 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.417 120.0-112.6 -83.9 -1.2 19.5 -7.0 -28.9 119 121 A G T < 5 + 0 0 33 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.464 64.9 147.7 87.6 6.1 19.0 -4.9 -32.0 120 122 A H < - 0 0 13 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.2 -0.368 49.3-115.6 -76.7 148.2 16.8 -7.4 -33.9 121 123 A E E -d 97 0A 18 -25,-1.6 -23,-3.3 -2,-0.1 2,-0.5 -0.553 23.4-149.9 -70.3 142.0 14.1 -6.4 -36.3 122 124 A I E -d 98 0A 3 -2,-0.2 38,-0.4 -25,-0.2 2,-0.3 -0.987 15.4-175.3-115.8 122.0 10.6 -7.4 -35.3 123 125 A A E -d 99 0A 0 -25,-3.4 -23,-2.8 -2,-0.5 2,-0.5 -0.809 33.6-101.3-102.9 161.6 8.2 -8.0 -38.2 124 126 A C E -de 100 162A 0 37,-2.4 39,-2.1 -2,-0.3 -23,-0.2 -0.672 31.2-179.7 -88.6 125.4 4.5 -8.8 -37.8 125 127 A H - 0 0 1 -25,-2.8 -24,-0.2 -2,-0.5 -1,-0.1 -0.060 60.3 -84.3-107.5 28.3 3.6 -12.5 -38.1 126 128 A G - 0 0 1 -26,-0.2 -24,-2.9 1,-0.1 -1,-0.5 -0.085 40.4 -86.0 90.5 164.0 -0.1 -11.8 -37.5 127 129 A W S S+ 0 0 31 -26,-0.2 -24,-2.1 -25,-0.2 2,-0.3 0.836 113.6 25.6 -70.1 -37.6 -2.2 -11.4 -34.3 128 130 A R S S- 0 0 13 -26,-0.1 2,-1.0 -25,-0.1 -88,-0.2 -0.904 72.6-132.0-124.4 150.6 -2.7 -15.2 -34.1 129 131 A W + 0 0 10 -90,-2.3 -88,-0.4 -2,-0.3 2,-0.3 -0.766 68.2 117.4-102.4 84.8 -0.6 -18.2 -35.3 130 132 A I S S- 0 0 20 -2,-1.0 2,-0.3 -90,-0.1 36,-0.2 -0.900 77.0 -81.5-138.2 160.7 -3.6 -20.0 -36.8 131 133 A H - 0 0 73 -2,-0.3 36,-0.2 1,-0.1 3,-0.1 -0.542 38.7-177.0 -67.4 123.2 -4.5 -21.0 -40.4 132 134 A Y > + 0 0 5 34,-2.8 3,-1.5 -2,-0.3 35,-0.2 0.433 52.4 105.0 -99.6 -1.3 -6.0 -18.0 -42.3 133 135 A Q T 3 S+ 0 0 8 33,-0.3 -1,-0.1 1,-0.3 37,-0.1 0.857 91.3 32.3 -45.3 -42.1 -6.8 -19.8 -45.5 134 136 A D T 3 S+ 0 0 134 -3,-0.1 -1,-0.3 34,-0.1 2,-0.2 0.371 92.6 116.3-103.5 2.3 -10.6 -19.9 -44.8 135 137 A M < - 0 0 44 -3,-1.5 -3,-0.0 1,-0.1 5,-0.0 -0.499 69.4-113.1 -77.3 140.5 -10.9 -16.7 -42.8 136 138 A T > - 0 0 87 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.362 24.3-118.3 -67.3 150.1 -13.1 -13.8 -44.2 137 139 A P H > S+ 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.833 113.4 57.4 -58.4 -36.2 -11.2 -10.6 -45.1 138 140 A E H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.938 112.4 40.5 -57.3 -46.3 -13.1 -8.6 -42.5 139 141 A R H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 115.6 50.3 -72.3 -38.7 -11.9 -10.9 -39.8 140 142 A E H X S+ 0 0 5 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.867 108.5 53.0 -68.6 -37.1 -8.4 -11.2 -41.2 141 143 A A H X S+ 0 0 18 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.890 106.9 52.6 -62.6 -42.4 -8.2 -7.4 -41.5 142 144 A E H X S+ 0 0 105 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.903 108.2 51.4 -59.9 -40.5 -9.2 -7.1 -37.8 143 145 A H H X S+ 0 0 36 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.888 105.7 54.3 -65.6 -37.9 -6.4 -9.5 -36.8 144 146 A M H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.929 109.7 48.1 -61.5 -44.4 -3.8 -7.5 -38.8 145 147 A R H X S+ 0 0 113 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.900 113.5 46.8 -61.0 -44.1 -4.8 -4.4 -36.8 146 148 A L H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 111.9 51.4 -66.2 -39.9 -4.6 -6.3 -33.5 147 149 A G H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.938 112.3 44.7 -62.9 -49.3 -1.3 -7.8 -34.4 148 150 A M H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.897 115.0 48.0 -62.7 -41.6 0.4 -4.5 -35.3 149 151 A E H X S+ 0 0 89 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.882 110.0 53.1 -67.5 -40.4 -1.0 -2.7 -32.2 150 152 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.910 110.6 46.1 -59.0 -42.1 0.1 -5.5 -29.9 151 153 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 6,-0.5 0.948 116.3 43.6 -76.8 -43.6 3.7 -5.5 -31.1 152 154 A E H X S+ 0 0 75 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.899 111.1 55.2 -67.5 -39.6 4.0 -1.7 -31.0 153 155 A R H < S+ 0 0 149 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.879 117.5 35.9 -53.8 -44.3 2.3 -1.4 -27.6 154 156 A V H < S+ 0 0 27 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.842 132.1 23.7 -82.6 -38.2 4.8 -3.9 -26.1 155 157 A T H < S- 0 0 20 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.605 90.0-125.1-108.8 -17.8 8.0 -3.0 -27.8 156 158 A G S < S+ 0 0 61 -4,-2.4 2,-0.4 -5,-0.4 -4,-0.2 0.504 75.6 119.2 80.4 4.4 7.6 0.5 -29.0 157 159 A V - 0 0 49 -6,-0.5 -1,-0.3 -5,-0.0 -2,-0.2 -0.867 57.0-149.2-111.3 130.0 8.5 -0.8 -32.5 158 160 A R - 0 0 110 -2,-0.4 -36,-0.1 -3,-0.1 -9,-0.1 -0.898 29.6-122.4 -93.0 118.1 6.2 -0.5 -35.5 159 161 A P - 0 0 2 0, 0.0 -36,-0.2 0, 0.0 -7,-0.0 -0.301 22.5-169.6 -60.8 147.3 6.8 -3.5 -37.8 160 162 A L + 0 0 55 -38,-0.4 22,-1.9 21,-0.1 23,-1.3 0.405 68.2 59.2-112.4 -2.4 7.8 -2.8 -41.4 161 163 A G E - f 0 183A 0 -39,-0.2 -37,-2.4 20,-0.2 2,-0.4 -0.929 64.6-154.4-127.4 151.5 7.4 -6.3 -42.7 162 164 A W E +ef 124 184A 5 21,-1.7 23,-3.0 -2,-0.3 24,-0.3 -0.975 18.2 162.6-124.3 138.7 4.5 -8.7 -42.8 163 165 A Y + 0 0 13 -39,-2.1 3,-0.1 -2,-0.4 -2,-0.0 -0.774 7.3 170.5-151.9 110.6 4.4 -12.5 -43.0 164 166 A T - 0 0 5 -2,-0.2 2,-0.9 1,-0.2 -1,-0.1 0.956 21.8-161.5 -80.8 -51.0 1.4 -14.6 -42.1 165 167 A G S S+ 0 0 7 -36,-0.0 2,-1.9 -34,-0.0 -1,-0.2 -0.842 82.7 44.3 106.9 -90.2 2.5 -18.1 -43.3 166 168 A R S S+ 0 0 39 -2,-0.9 -34,-2.8 -36,-0.2 -33,-0.3 -0.587 95.0 170.3 -88.7 78.6 -0.6 -20.0 -43.6 167 169 A D - 0 0 3 -2,-1.9 207,-0.1 -35,-0.2 208,-0.1 0.022 29.5-120.2 -92.5-175.1 -2.2 -17.0 -45.4 168 170 A S > - 0 0 1 205,-0.1 3,-1.4 -34,-0.1 4,-0.4 -0.777 34.6 -99.2-118.9 172.8 -5.5 -16.5 -47.3 169 171 A P T 3 S+ 0 0 51 0, 0.0 4,-0.2 0, 0.0 -36,-0.1 0.617 123.7 49.3 -65.5 -9.9 -6.1 -15.4 -50.9 170 172 A N T 3> S+ 0 0 44 -37,-0.1 4,-2.5 2,-0.1 5,-0.2 0.459 80.5 95.5-104.6 -6.1 -6.7 -11.9 -49.5 171 173 A T H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 5,-0.2 0.879 83.9 49.2 -64.8 -44.7 -3.6 -11.4 -47.3 172 174 A H H > S+ 0 0 17 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.940 112.8 49.6 -53.6 -52.1 -1.5 -9.6 -49.9 173 175 A R H > S+ 0 0 56 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.883 110.0 51.3 -53.8 -42.5 -4.4 -7.2 -50.6 174 176 A L H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.877 109.4 49.5 -64.9 -36.1 -4.8 -6.7 -46.8 175 177 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 6,-0.3 0.925 113.3 47.6 -63.6 -47.6 -1.1 -5.8 -46.4 176 178 A A H < S+ 0 0 14 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.821 113.0 47.1 -61.1 -39.5 -1.4 -3.4 -49.3 177 179 A E H < S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.778 111.7 50.3 -74.9 -36.9 -4.6 -1.7 -48.0 178 180 A Y H < S- 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.929 99.6-171.1 -63.4 -47.6 -3.2 -1.4 -44.5 179 181 A G < + 0 0 24 -4,-2.5 -2,-0.1 -5,-0.2 3,-0.1 0.028 49.3 88.3 79.9 173.7 -0.1 0.2 -45.9 180 182 A G + 0 0 66 1,-0.2 2,-0.6 -4,-0.1 -4,-0.1 0.458 56.2 133.4 73.2 2.4 3.2 1.2 -44.5 181 183 A F - 0 0 7 -6,-0.3 28,-0.4 1,-0.1 -1,-0.2 -0.745 40.8-165.2 -87.0 116.4 4.9 -2.2 -45.1 182 184 A L S S+ 0 0 35 -22,-1.9 2,-0.3 -2,-0.6 -21,-0.2 0.765 77.1 9.3 -71.6 -23.3 8.3 -2.0 -46.7 183 185 A Y E -f 161 0A 0 -23,-1.3 -21,-1.7 25,-0.1 2,-0.4 -0.993 55.9-152.7-155.2 154.1 8.1 -5.7 -47.5 184 186 A D E -fg 162 210A 0 25,-2.1 27,-1.9 -2,-0.3 -21,-0.2 -0.994 7.4-168.8-123.1 129.4 5.7 -8.8 -47.5 185 187 A S + 0 0 0 -23,-3.0 2,-2.3 -2,-0.4 28,-0.5 0.242 50.6 115.8-107.9 15.7 7.3 -12.2 -47.2 186 188 A D + 0 0 3 -24,-0.3 2,-0.3 26,-0.1 -1,-0.1 -0.459 59.5 89.4 -82.1 70.9 4.4 -14.4 -48.1 187 189 A H - 0 0 8 -2,-2.3 26,-2.6 24,-0.2 3,-0.1 -0.908 45.5-178.0-169.1 133.5 6.1 -15.8 -51.1 188 190 A Y + 0 0 1 -2,-0.3 194,-0.1 24,-0.2 27,-0.1 -0.065 58.9 108.4-121.3 27.4 8.4 -18.8 -51.9 189 191 A G S S+ 0 0 0 192,-0.1 2,-0.3 193,-0.1 196,-0.1 0.391 73.1 12.2-100.6 0.9 8.8 -17.9 -55.5 190 192 A D - 0 0 10 23,-0.2 192,-0.1 -3,-0.1 4,-0.1 -0.965 58.5-118.2-161.2 178.9 12.4 -16.6 -56.0 191 193 A D S S+ 0 0 11 -2,-0.3 64,-2.9 2,-0.1 -1,-0.0 0.148 97.2 45.0-106.7 7.5 15.9 -16.1 -54.7 192 194 A L S S- 0 0 0 62,-0.2 62,-0.1 18,-0.0 -3,-0.0 -0.972 92.2 -94.3-143.6 155.5 15.7 -12.2 -54.8 193 195 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 18,-0.2 -0.279 47.5 173.8 -62.6 164.1 13.2 -9.6 -53.8 194 196 A F E -H 210 0A 13 16,-1.8 16,-3.4 14,-0.1 2,-0.4 -0.967 32.4 -98.0-164.9 165.5 10.8 -8.3 -56.5 195 197 A W E -H 209 0A 55 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.799 29.6-163.1 -98.5 131.9 7.8 -6.1 -56.9 196 198 A M E -H 208 0A 39 12,-2.6 12,-2.6 -2,-0.4 2,-0.8 -0.919 18.5-134.6-110.1 138.1 4.2 -7.5 -57.0 197 199 A D E -H 207 0A 93 -2,-0.4 2,-0.6 10,-0.2 8,-0.0 -0.878 28.9-159.4 -93.7 112.2 1.3 -5.6 -58.4 198 200 A V E -H 206 0A 7 8,-2.9 8,-2.1 -2,-0.8 2,-0.4 -0.869 11.3-133.5-105.9 120.6 -1.4 -6.2 -55.8 199 201 A E E -H 205 0A 132 -2,-0.6 6,-0.3 6,-0.2 2,-0.2 -0.564 28.0-166.6 -69.7 127.0 -5.0 -5.7 -56.7 200 202 A V > - 0 0 25 4,-3.4 3,-3.4 -2,-0.4 4,-0.2 -0.626 40.1 -58.3-110.5 171.5 -6.8 -3.7 -54.0 201 203 A S T 3 S+ 0 0 83 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 -0.255 128.6 37.1 -46.9 123.7 -10.5 -3.1 -53.3 202 204 A G T 3 S- 0 0 92 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.009 121.6 -95.2 112.7 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-9.5 1215 298 D A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.931 112.2 46.2 -65.2 -45.0 14.0 -34.5 -7.8 1216 299 D R H X S+ 0 0 134 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.918 111.6 52.6 -63.0 -43.0 15.4 -34.9 -4.4 1217 300 D H H X S+ 0 0 19 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.954 111.3 46.8 -56.1 -50.9 18.4 -32.8 -5.3 1218 301 D W H X S+ 0 0 1 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.919 110.9 51.0 -56.1 -48.2 16.1 -30.0 -6.6 1219 302 D R H < S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.2 43.1 -62.6 -36.4 13.9 -30.1 -3.5 1220 303 D E H < S+ 0 0 78 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.940 127.7 28.4 -72.6 -46.9 16.9 -29.8 -1.2 1221 304 D H H < S+ 0 0 107 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.695 131.3 31.5 -90.8 -21.4 18.7 -27.1 -3.2 1222 305 D H S < S- 0 0 35 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.554 79.4-177.4-138.9 62.8 15.8 -25.2 -4.9 1223 306 D P 0 0 90 0, 0.0 -109,-0.1 0, 0.0 -4,-0.1 -0.214 360.0 360.0 -63.1 156.9 12.9 -25.4 -2.6 1224 307 D Y 0 0 156 -5,-0.1 -96,-0.0 -111,-0.1 -111,-0.0 -0.314 360.0 360.0 -53.6 360.0 9.5 -24.0 -3.5