==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JAN-11 3ATY . COMPND 2 MOLECULE: PROSTAGLANDIN F2A SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR K.YAMAGUCHI,N.OKAMOTO,K.TOKUOKA,S.SUGIYAMA,N.UCHIYAMA,H.MATS . 756 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 3 0.4 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 . 35 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 2 2 5 2 1 4 0 0 2 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 6 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 0 PARALLEL BRIDGES PER LADDER . 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 1 A M 0 0 55 0, 0.0 7,-0.1 0, 0.0 350,-0.1 0.000 360.0 360.0 360.0 30.7 1.0 -11.4 20.0 2 2 A A + 0 0 85 348,-0.3 349,-0.1 1,-0.1 348,-0.1 0.712 360.0 62.9 -87.2 -21.2 2.3 -14.3 22.0 3 3 A T S S+ 0 0 67 347,-0.3 -1,-0.1 1,-0.2 347,-0.1 0.900 117.9 19.5 -73.2 -42.3 3.9 -16.3 19.1 4 4 A F S > S+ 0 0 16 345,-0.3 4,-1.1 1,-0.1 -1,-0.2 -0.507 71.7 154.7-128.9 66.1 6.6 -13.8 18.0 5 5 A P T 4 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.843 74.2 49.2 -60.3 -40.4 7.1 -11.4 21.0 6 6 A E T >4 S+ 0 0 46 1,-0.2 3,-1.5 2,-0.2 15,-0.1 0.888 108.8 53.0 -69.1 -39.6 10.7 -10.4 20.2 7 7 A L T 34 S+ 0 0 0 1,-0.3 14,-2.4 311,-0.1 -1,-0.2 0.779 109.0 51.8 -65.3 -26.9 9.8 -9.6 16.5 8 8 A L T 3< S+ 0 0 7 -4,-1.1 -1,-0.3 12,-0.2 -2,-0.2 0.287 84.0 116.4 -94.9 9.8 7.0 -7.4 17.8 9 9 A R S < S- 0 0 91 -3,-1.5 388,-0.1 1,-0.1 -3,-0.0 -0.459 71.9-109.5 -75.5 150.6 9.2 -5.4 20.1 10 10 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.311 34.7-150.9 -73.9 167.4 9.6 -1.7 19.4 11 11 A L E -A 18 0A 12 7,-1.4 7,-3.4 9,-0.2 2,-0.5 -0.964 14.9-133.7-148.5 129.2 13.0 -0.5 18.1 12 12 A K E +A 17 0A 115 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.683 34.2 172.3 -78.6 123.2 15.0 2.7 18.3 13 13 A L E > -A 16 0A 0 3,-2.7 3,-2.2 -2,-0.5 268,-0.1 -0.927 57.0 -49.0-138.1 110.1 16.3 3.4 14.8 14 14 A G T 3 S- 0 0 21 267,-0.5 231,-0.2 -2,-0.4 230,-0.1 -0.433 122.4 -22.8 62.7-136.0 18.0 6.7 14.1 15 15 A R T 3 S+ 0 0 107 229,-1.6 -1,-0.3 -2,-0.1 2,-0.2 0.235 129.4 79.5 -90.1 15.8 15.8 9.5 15.4 16 16 A Y E < -A 13 0A 34 -3,-2.2 -3,-2.7 228,-0.2 2,-0.4 -0.688 66.9-140.8-119.6 170.8 12.8 7.2 15.3 17 17 A T E -A 12 0A 28 -5,-0.3 -5,-0.3 -2,-0.2 2,-0.2 -0.965 22.6-140.7-133.4 114.1 11.2 4.4 17.2 18 18 A L E -A 11 0A 0 -7,-3.4 -7,-1.4 -2,-0.4 37,-0.1 -0.472 10.0-137.7 -74.5 144.9 9.6 1.5 15.2 19 19 A R S S- 0 0 42 36,-0.4 2,-0.3 -9,-0.2 -1,-0.1 0.728 86.9 -7.7 -72.4 -22.5 6.3 0.0 16.4 20 20 A N - 0 0 7 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.941 69.4-109.0-159.9 177.0 7.8 -3.4 15.6 21 21 A R S S+ 0 0 16 -14,-2.4 312,-2.0 -2,-0.3 2,-1.0 0.100 77.4 112.3-107.1 23.2 10.8 -5.1 14.0 22 22 A I E -b 333 0B 0 310,-0.2 33,-2.3 -15,-0.1 34,-0.7 -0.840 52.1-170.0 -97.4 100.3 9.0 -6.4 10.9 23 23 A I E -bc 334 56B 0 310,-2.4 312,-3.0 -2,-1.0 2,-0.7 -0.726 22.5-130.1 -98.1 141.8 10.6 -4.3 8.1 24 24 A M E -bc 335 57B 0 32,-2.7 34,-2.1 -2,-0.3 312,-0.2 -0.813 28.7-136.2 -91.1 114.5 9.5 -4.1 4.5 25 25 A A - 0 0 2 310,-2.2 2,-0.2 -2,-0.7 35,-0.1 -0.257 31.8 -88.4 -66.1 155.0 12.6 -4.6 2.3 26 26 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.493 50.6-172.2 -66.5 127.9 13.1 -2.3 -0.8 27 27 A L - 0 0 30 31,-0.3 33,-0.4 -2,-0.2 2,-0.3 -0.903 20.1-141.4-133.5 108.2 11.3 -3.9 -3.7 28 28 A T + 0 0 25 -2,-0.4 46,-0.1 1,-0.2 34,-0.0 -0.483 29.0 165.1 -63.4 120.2 11.5 -2.7 -7.3 29 29 A R - 0 0 5 -2,-0.3 337,-0.4 44,-0.1 -1,-0.2 0.391 41.9-130.6-119.1 -1.5 8.0 -3.0 -8.8 30 30 A C + 0 0 0 1,-0.1 2,-0.1 335,-0.1 44,-0.1 0.788 57.0 142.1 57.0 35.8 8.5 -0.8 -11.9 31 31 A Q + 0 0 2 2,-0.1 9,-2.1 6,-0.0 2,-0.3 -0.210 39.9 96.9-100.6 43.0 5.4 1.2 -11.4 32 32 A A B S-K 39 0C 4 41,-1.8 2,-0.2 7,-0.2 5,-0.1 -0.769 86.7 -84.1-119.8 168.0 6.8 4.6 -12.5 33 33 A T > - 0 0 55 5,-2.0 4,-1.5 -2,-0.3 -2,-0.1 -0.528 34.0-135.3 -74.3 140.3 6.6 6.2 -16.0 34 34 A E T 4 S+ 0 0 71 -2,-0.2 -1,-0.1 2,-0.2 40,-0.1 0.929 96.7 38.0 -62.6 -49.0 9.2 5.0 -18.5 35 35 A D T 4 S+ 0 0 118 1,-0.2 -1,-0.1 38,-0.1 32,-0.1 0.941 133.3 20.3 -71.2 -49.0 10.3 8.3 -19.9 36 36 A D T 4 S- 0 0 105 2,-0.1 -2,-0.2 30,-0.0 -1,-0.2 0.478 91.5-133.1-100.9 -5.5 10.2 10.6 -16.9 37 37 A H < + 0 0 5 -4,-1.5 39,-1.5 1,-0.2 -3,-0.1 0.835 46.6 161.3 55.6 37.0 10.4 8.0 -14.1 38 38 A V - 0 0 23 37,-0.2 -5,-2.0 1,-0.1 -1,-0.2 -0.735 47.3-104.3 -89.9 131.6 7.6 9.6 -12.2 39 39 A P B -K 32 0C 4 0, 0.0 2,-1.7 0, 0.0 -7,-0.2 -0.256 24.7-127.3 -54.2 137.7 5.9 7.5 -9.6 40 40 A R >> - 0 0 66 -9,-2.1 4,-2.6 1,-0.2 3,-1.5 -0.674 30.5-171.4 -88.5 82.1 2.5 6.3 -10.8 41 41 A T H 3>>S+ 0 0 11 -2,-1.7 4,-2.4 1,-0.3 5,-0.5 0.775 72.5 69.0 -44.3 -42.7 0.8 7.6 -7.7 42 42 A E H 345S+ 0 0 145 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.878 118.3 20.9 -49.2 -43.4 -2.6 6.0 -8.4 43 43 A S H <>5S+ 0 0 15 -3,-1.5 4,-2.1 -12,-0.2 -2,-0.2 0.831 124.3 52.8 -96.2 -38.5 -1.1 2.5 -7.8 44 44 A M H X5S+ 0 0 0 -4,-2.6 4,-2.4 -13,-0.2 5,-0.3 0.854 104.4 55.0 -68.6 -36.0 2.0 3.2 -5.7 45 45 A L H X5S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.939 112.0 44.0 -63.5 -45.2 0.2 5.3 -3.1 46 46 A K H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.911 115.5 50.8 -71.6 -42.2 2.6 1.6 0.2 49 49 A E H >< S+ 0 0 59 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.2 0.878 104.4 60.0 -64.6 -32.6 -0.2 2.8 2.4 50 50 A D T 3< S+ 0 0 59 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.666 111.5 40.9 -66.3 -15.7 -1.6 -0.7 2.4 51 51 A R T X S+ 0 0 3 -3,-1.3 3,-1.9 -4,-0.4 -1,-0.3 0.241 79.9 114.4-115.3 12.2 1.7 -1.9 4.0 52 52 A A T < + 0 0 3 -3,-1.5 47,-0.2 1,-0.3 -1,-0.1 0.476 58.3 76.8 -64.1 -5.1 2.1 1.1 6.3 53 53 A S T 3 S+ 0 0 27 290,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.580 70.3 113.6 -82.2 -7.5 1.8 -1.1 9.5 54 54 A A S < S- 0 0 1 -3,-1.9 45,-0.4 1,-0.1 3,-0.2 -0.262 82.1-119.5 -59.2 148.9 5.3 -2.3 8.9 55 55 A G S S- 0 0 0 -33,-2.3 -36,-0.4 1,-0.3 2,-0.3 0.899 98.1 -5.2 -57.5 -38.3 7.8 -1.2 11.5 56 56 A L E -c 23 0B 0 -34,-0.7 -32,-2.7 -38,-0.1 2,-0.5 -0.959 67.8-145.2-156.4 135.9 9.6 0.6 8.7 57 57 A I E -cd 24 100B 0 42,-2.5 44,-2.6 -2,-0.3 2,-0.7 -0.920 7.5-159.6-105.1 127.8 9.0 0.7 5.0 58 58 A I E - d 0 101B 0 -34,-2.1 -31,-0.3 -2,-0.5 44,-0.2 -0.935 23.9-135.7-106.5 107.8 12.1 0.9 2.8 59 59 A A E - d 0 102B 0 42,-3.2 44,-1.4 -2,-0.7 3,-0.2 -0.338 32.0 -83.0 -65.8 146.0 10.9 2.2 -0.5 60 60 A E E - 0 0 0 -33,-0.4 43,-0.4 1,-0.2 -1,-0.1 0.085 62.3 -69.6 -46.1 154.0 12.1 0.6 -3.7 61 61 A A E - 0 0 1 43,-0.1 2,-0.4 41,-0.1 43,-0.2 -0.208 58.0-164.8 -49.2 125.0 15.4 1.5 -5.4 62 62 A T E - d 0 104B 0 41,-2.2 43,-2.4 -3,-0.2 14,-0.3 -0.974 20.1-108.2-126.2 131.4 15.0 5.0 -6.8 63 63 A M E -ed 76 105B 2 12,-2.6 14,-1.9 -2,-0.4 43,-0.2 -0.210 25.5-178.9 -57.0 134.6 17.3 6.7 -9.3 64 64 A V S S+ 0 0 2 41,-1.5 -1,-0.1 12,-0.2 42,-0.1 0.631 70.8 65.0-105.4 -21.9 19.6 9.5 -8.3 65 65 A Q S > S- 0 0 8 40,-0.4 3,-2.2 3,-0.2 -1,-0.1 -0.902 98.2-101.9-106.6 126.0 21.1 10.2 -11.8 66 66 A P T 3 S- 0 0 56 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.111 97.6 -12.0 -45.8 126.5 18.8 11.5 -14.6 67 67 A N T 3 S+ 0 0 50 1,-0.2 2,-2.1 -31,-0.1 52,-0.1 0.472 89.2 136.3 59.7 5.5 17.7 8.7 -17.0 68 68 A Y < + 0 0 4 -3,-2.2 39,-0.5 43,-0.1 2,-0.3 -0.561 37.5 176.5 -84.0 80.6 20.3 6.2 -15.6 69 69 A T + 0 0 2 -2,-2.1 43,-2.6 43,-0.2 47,-0.2 -0.660 32.1 166.5 -93.7 140.6 17.8 3.4 -15.6 70 70 A G S S+ 0 0 5 -2,-0.3 -1,-0.1 41,-0.3 -2,-0.0 0.511 86.8 39.9-120.9 -16.9 18.4 -0.2 -14.7 71 71 A F S S- 0 0 6 41,-0.1 2,-2.8 1,-0.0 78,-0.1 0.166 98.0-130.3-120.4 15.8 14.8 -1.4 -14.4 72 72 A L S S+ 0 0 13 1,-0.2 -35,-0.1 -38,-0.0 76,-0.1 -0.258 96.7 32.1 68.7 -53.3 13.4 0.5 -17.3 73 73 A T S S+ 0 0 7 -2,-2.8 -41,-1.8 -37,-0.1 -1,-0.2 -0.174 83.5 131.5-129.2 42.4 10.5 2.0 -15.4 74 74 A E - 0 0 1 -43,-0.1 -12,-0.1 1,-0.1 2,-0.0 -0.469 60.1 -93.3 -88.4 165.6 11.7 2.5 -11.8 75 75 A P - 0 0 0 0, 0.0 -12,-2.6 0, 0.0 2,-0.3 -0.300 33.1-154.7 -75.9 162.5 11.2 5.8 -9.9 76 76 A G B -e 63 0B 0 -39,-1.5 -12,-0.2 -14,-0.3 -40,-0.0 -0.802 13.7-158.1-128.0 169.5 13.6 8.7 -9.7 77 77 A I S S+ 0 0 0 -14,-1.9 105,-0.1 -2,-0.3 106,-0.1 -0.008 73.6 85.9-139.5 28.6 14.1 11.3 -7.0 78 78 A Y S S+ 0 0 53 -15,-0.2 2,-0.2 104,-0.1 -14,-0.1 0.686 76.7 66.1-103.1 -23.5 15.9 14.0 -9.1 79 79 A S S > S- 0 0 35 -43,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.675 78.5-123.6-104.3 158.7 13.1 15.9 -10.7 80 80 A D H > S+ 0 0 124 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.871 112.8 54.9 -62.7 -38.2 10.4 18.1 -9.2 81 81 A A H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 109.9 46.2 -62.7 -41.3 7.6 16.0 -10.8 82 82 A Q H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 110.8 53.8 -66.5 -43.7 9.1 12.9 -9.1 83 83 A I H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 106.7 51.6 -57.6 -44.6 9.4 14.7 -5.8 84 84 A E H X S+ 0 0 75 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.926 111.5 44.6 -61.8 -47.9 5.8 15.8 -5.8 85 85 A E H X S+ 0 0 39 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.931 113.3 50.7 -65.1 -43.2 4.3 12.3 -6.4 86 86 A W H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.898 105.5 58.9 -58.9 -39.2 6.7 10.8 -3.8 87 87 A R H X S+ 0 0 98 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.913 106.9 45.8 -56.2 -44.8 5.5 13.5 -1.4 88 88 A K H X S+ 0 0 70 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.902 113.1 49.5 -66.3 -40.9 1.9 12.3 -1.7 89 89 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.926 112.4 47.9 -63.2 -45.0 2.9 8.7 -1.4 90 90 A V H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.904 108.7 53.8 -62.8 -42.8 4.9 9.4 1.7 91 91 A D H X S+ 0 0 58 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.878 105.5 54.6 -60.3 -37.4 2.2 11.5 3.3 92 92 A A H X S+ 0 0 5 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.916 108.8 47.3 -62.9 -43.6 -0.2 8.6 2.8 93 93 A V H ><>S+ 0 0 0 -4,-1.7 5,-2.2 1,-0.2 3,-0.8 0.912 112.1 50.9 -63.7 -41.3 2.1 6.3 4.7 94 94 A H H ><5S+ 0 0 44 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.817 100.9 61.1 -66.8 -31.5 2.5 8.9 7.5 95 95 A K H 3<5S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.762 104.3 51.4 -66.4 -22.7 -1.3 9.3 7.8 96 96 A K T <<5S- 0 0 124 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.389 123.7-107.9 -91.8 0.5 -1.3 5.6 8.8 97 97 A G T < 5S+ 0 0 13 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.622 74.0 138.3 83.1 13.9 1.4 6.3 11.4 98 98 A G < - 0 0 4 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.225 47.3-131.8 -87.5 177.6 4.1 4.5 9.4 99 99 A L - 0 0 27 -45,-0.4 -42,-2.5 -47,-0.2 2,-0.4 -0.970 21.6-172.3-128.4 143.4 7.8 5.3 8.7 100 100 A I E -d 57 0B 0 -2,-0.4 90,-2.3 -44,-0.2 91,-0.9 -0.976 11.4-170.0-147.9 129.9 9.5 5.2 5.3 101 101 A F E -df 58 191B 0 -44,-2.6 -42,-3.2 -2,-0.4 2,-0.5 -0.872 23.7-130.5-111.1 147.4 13.0 5.5 4.0 102 102 A L E -df 59 192B 0 89,-2.3 91,-2.7 -2,-0.3 2,-0.4 -0.872 15.1-136.2-102.3 127.9 13.8 5.9 0.3 103 103 A Q E - f 0 193B 4 -44,-1.4 -41,-2.2 -2,-0.5 2,-0.5 -0.701 18.4-148.8 -83.1 130.3 16.5 3.6 -1.1 104 104 A L E -df 62 194B 0 89,-3.0 91,-2.1 -2,-0.4 2,-0.3 -0.878 21.1-178.7-103.8 126.9 18.9 5.5 -3.4 105 105 A I E -d 63 0B 6 -43,-2.4 -41,-1.5 -2,-0.5 -40,-0.4 -0.893 30.1-173.4-131.5 155.1 20.4 3.7 -6.4 106 106 A H - 0 0 4 -2,-0.3 95,-2.1 89,-0.3 96,-0.3 -0.944 22.4-149.5-138.9 114.3 22.8 4.0 -9.3 107 107 A A > - 0 0 3 -39,-0.5 3,-2.2 -2,-0.4 4,-0.1 0.655 24.5-175.9 -63.4 -18.7 22.7 0.9 -11.5 108 108 A G G > S- 0 0 0 1,-0.3 3,-1.6 2,-0.2 24,-0.4 -0.315 71.4 -1.7 58.2-133.2 26.3 1.2 -12.6 109 109 A R G 3 S+ 0 0 14 1,-0.3 30,-0.4 90,-0.2 49,-0.3 0.510 127.3 71.1 -68.7 -3.4 27.2 -1.5 -15.2 110 110 A A G < S+ 0 0 6 -3,-2.2 -1,-0.3 89,-0.1 -2,-0.2 0.276 72.1 125.6 -93.8 9.3 23.6 -2.9 -14.8 111 111 A G S < S- 0 0 0 -3,-1.6 47,-0.4 21,-0.2 -41,-0.3 -0.338 73.5-104.1 -66.9 152.0 22.2 0.1 -16.7 112 112 A I >> - 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0 0 71 1,-0.1 4,-1.9 52,-0.0 5,-0.1 -0.479 24.7-108.8 -82.3 163.1 37.5 8.7 -13.3 165 165 A D H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.843 121.4 52.8 -61.7 -31.8 38.1 9.6 -9.7 166 166 A D H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.879 105.8 52.3 -71.2 -37.1 36.9 13.1 -10.4 167 167 A E H >>S+ 0 0 38 2,-0.2 5,-2.4 3,-0.2 4,-1.2 0.874 112.0 47.7 -65.6 -35.9 33.7 11.9 -12.0 168 168 A V H <>S+ 0 0 0 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.962 119.2 37.6 -67.7 -51.5 33.1 9.8 -8.8 169 169 A R H <5S+ 0 0 115 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.906 131.2 25.7 -68.4 -45.8 33.8 12.7 -6.4 170 170 A D H <5S+ 0 0 121 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.516 134.1 29.5-100.3 -5.4 32.3 15.6 -8.3 171 171 A G T X5S+ 0 0 17 -4,-1.2 4,-0.9 -5,-0.4 -3,-0.2 0.765 123.6 31.6-115.8 -58.3 29.7 13.8 -10.3 172 172 A I H >> S+ 0 0 50 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.835 104.3 56.7 -58.0 -32.0 26.8 14.9 -5.4 175 175 A L H S+ 0 0 72 -4,-2.2 4,-2.2 2,-0.2 5,-0.9 0.938 112.6 48.2 -62.7 -46.6 18.0 16.2 0.2 182 182 A N H X>S+ 0 0 17 -4,-2.8 5,-2.2 3,-0.2 4,-1.0 0.935 114.0 47.2 -58.6 -47.5 15.1 15.9 -2.3 183 183 A A H <5S+ 0 0 0 -4,-2.6 6,-2.5 3,-0.2 5,-0.3 0.946 124.8 27.3 -60.5 -52.1 13.8 12.8 -0.6 184 184 A I H <5S+ 0 0 9 -4,-2.7 4,-0.4 4,-0.2 -3,-0.2 0.946 128.7 35.5 -80.2 -51.4 14.0 14.1 3.0 185 185 A F H <5S+ 0 0 114 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.803 132.4 23.5 -76.1 -31.8 13.6 17.9 2.7 186 186 A K T < + 0 0 0 53,-0.3 3,-1.7 1,-0.1 6,-0.4 -0.639 63.6 43.7-131.0-174.6 24.3 -4.1 -2.7 198 198 A N T 3 S- 0 0 23 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 0.682 115.6 -62.6 47.0 37.1 23.2 -6.4 -5.4 199 199 A G T 3 S+ 0 0 0 1,-0.2 -1,-0.3 52,-0.1 -90,-0.2 0.540 96.9 131.7 76.0 6.9 25.8 -5.6 -8.0 200 200 A Y S <> S- 0 0 26 -3,-1.7 4,-2.8 -92,-0.1 3,-0.3 -0.207 76.4 -68.8 -83.5-178.0 24.9 -2.0 -8.6 201 201 A L H > S+ 0 0 0 -95,-2.1 4,-0.9 1,-0.2 5,-0.2 0.816 130.5 40.0 -39.8 -58.0 27.4 0.9 -8.6 202 202 A L H >> S+ 0 0 2 -7,-0.5 4,-1.6 -96,-0.3 3,-0.7 0.912 118.5 46.7 -63.9 -42.4 28.4 1.0 -5.0 203 203 A D H 3> S+ 0 0 0 -6,-0.4 4,-2.3 -8,-0.3 -1,-0.2 0.844 106.4 61.9 -66.4 -31.7 28.6 -2.8 -4.6 204 204 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.747 108.1 41.3 -66.0 -25.8 30.5 -2.9 -7.9 205 205 A F H << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.753 112.4 60.4 -87.4 -29.0 33.3 -0.8 -6.3 206 206 A F H < S+ 0 0 0 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.910 98.9 53.9 -64.3 -52.5 33.0 -2.9 -3.1 207 207 A R S >X S- 0 0 0 -4,-2.3 3,-1.1 1,-0.1 4,-1.1 -0.696 79.0-123.8 -99.5 146.2 33.8 -6.4 -4.3 208 208 A E T 34 S+ 0 0 58 -2,-0.3 3,-0.3 1,-0.2 53,-0.2 0.787 99.5 65.4 -48.6 -45.9 36.8 -7.7 -6.3 209 209 A S T 34 S+ 0 0 29 51,-2.1 -1,-0.2 1,-0.2 52,-0.1 0.801 114.4 29.9 -54.9 -32.2 35.1 -9.2 -9.3 210 210 A S T <4 S+ 0 0 4 -3,-1.1 2,-0.6 -7,-0.2 -75,-0.5 0.578 110.9 67.6-105.9 -12.3 33.8 -5.9 -10.6 211 211 A N < + 0 0 1 -4,-1.1 -1,-0.2 -3,-0.3 -6,-0.1 -0.873 41.4 148.0-115.9 102.5 36.4 -3.4 -9.3 212 212 A K + 0 0 119 -2,-0.6 -1,-0.1 -3,-0.1 7,-0.1 0.090 22.0 151.9-114.8 19.5 39.9 -3.8 -10.9 213 213 A R - 0 0 9 5,-0.3 7,-2.2 1,-0.1 8,-0.7 -0.296 35.5-152.4 -54.2 129.8 40.8 -0.1 -10.7 214 214 A Q + 0 0 166 5,-0.2 2,-0.2 6,-0.1 -1,-0.1 0.803 64.8 4.4 -78.2 -33.5 44.6 0.2 -10.5 215 215 A S S S+ 0 0 93 3,-0.1 3,-0.3 5,-0.0 5,-0.1 -0.747 83.4 66.6-140.2-172.6 45.0 3.4 -8.6 216 216 A G S > S- 0 0 35 -2,-0.2 3,-1.5 1,-0.2 9,-0.0 -0.067 93.7 -58.4 84.4 172.5 43.2 6.2 -6.8 217 217 A P T 3 S+ 0 0 54 0, 0.0 11,-0.2 0, 0.0 -1,-0.2 0.583 136.1 48.3 -67.2 -10.4 41.1 6.3 -3.6 218 218 A Y T 3 S+ 0 0 2 -3,-0.3 -5,-0.3 10,-0.1 -2,-0.1 0.017 79.4 152.1-118.8 25.6 38.7 3.7 -5.0 219 219 A A X - 0 0 4 -3,-1.5 3,-0.6 1,-0.1 -5,-0.2 -0.202 46.4-139.6 -56.8 144.8 41.3 1.2 -6.3 220 220 A G T 3 S+ 0 0 10 -7,-2.2 -1,-0.1 1,-0.2 -6,-0.1 0.506 86.3 89.1 -85.2 -1.5 40.2 -2.4 -6.4 221 221 A T T 3 S+ 0 0 98 -8,-0.7 2,-0.3 4,-0.0 -1,-0.2 0.689 89.6 34.6 -69.6 -22.9 43.6 -3.5 -5.1 222 222 A T S <> S- 0 0 62 -3,-0.6 4,-1.8 1,-0.1 5,-0.2 -0.962 73.7-124.7-135.8 154.4 42.8 -3.3 -1.4 223 223 A I H > S+ 0 0 44 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.913 110.4 53.1 -59.7 -44.4 39.8 -3.9 0.9 224 224 A D H > S+ 0 0 65 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.914 110.2 45.3 -61.3 -44.4 40.0 -0.4 2.3 225 225 A T H 4 S+ 0 0 27 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.833 110.2 54.9 -70.6 -28.9 39.9 1.4 -1.0 226 226 A R H < S+ 0 0 4 -4,-1.8 4,-0.4 1,-0.2 3,-0.3 0.810 108.5 49.9 -71.6 -27.2 37.1 -0.8 -2.3 227 227 A C H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.659 91.4 85.4 -81.4 -16.7 35.1 0.2 0.8 228 228 A Q H X S+ 0 0 36 -4,-0.8 4,-3.3 -3,-0.3 5,-0.2 0.822 82.8 51.4 -58.0 -40.7 35.8 3.9 0.2 229 229 A L H > S+ 0 0 1 -4,-0.5 4,-2.9 -3,-0.3 5,-0.3 0.947 110.8 48.7 -65.1 -45.5 33.0 4.7 -2.2 230 230 A I H > S+ 0 0 1 -4,-0.4 4,-2.3 -28,-0.3 5,-0.2 0.932 116.2 45.3 -57.3 -44.3 30.3 3.3 -0.0 231 231 A Y H X S+ 0 0 52 -4,-2.0 4,-3.5 2,-0.2 5,-0.2 0.949 113.5 47.8 -64.6 -49.6 31.8 5.2 2.9 232 232 A D H X S+ 0 0 35 -4,-3.3 4,-2.5 2,-0.2 5,-0.2 0.898 114.1 46.3 -59.4 -43.8 32.2 8.5 1.0 233 233 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.946 116.9 44.6 -64.4 -47.0 28.7 8.4 -0.4 234 234 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.927 113.9 49.7 -63.0 -45.5 27.2 7.5 3.0 235 235 A K H X S+ 0 0 79 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.936 111.4 47.5 -60.2 -49.0 29.3 10.1 4.8 236 236 A S H X S+ 0 0 37 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.846 112.3 50.1 -63.7 -33.0 28.4 12.9 2.4 237 237 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 5,-0.4 0.899 109.4 51.6 -71.1 -38.4 24.7 12.0 2.6 238 238 A C H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.885 105.5 56.2 -62.6 -38.7 25.0 12.0 6.4 239 239 A D H < S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.8 42.5 -60.6 -34.6 26.6 15.5 6.2 240 240 A A H < S+ 0 0 27 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.851 132.5 12.5 -83.4 -37.6 23.5 16.7 4.3 241 241 A V H < S- 0 0 5 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.501 110.7 -89.9-121.9 -5.0 20.6 15.1 6.2 242 242 A G >< - 0 0 23 -4,-2.2 3,-1.8 -5,-0.4 -3,-0.1 0.332 28.0-108.0 99.9 128.3 21.9 13.7 9.5 243 243 A S G > S+ 0 0 35 1,-0.3 3,-1.7 -5,-0.2 38,-1.0 0.782 114.7 68.2 -59.3 -27.6 23.3 10.2 10.1 244 244 A D G 3 S+ 0 0 48 1,-0.3 -229,-1.6 36,-0.2 -1,-0.3 0.342 102.0 47.4 -76.4 10.3 20.2 9.3 12.1 245 245 A R G < S+ 0 0 41 -3,-1.8 -53,-2.2 -231,-0.2 2,-0.4 0.076 98.9 87.7-131.7 18.7 18.2 9.5 8.9 246 246 A V E < +g 192 0B 0 -3,-1.7 35,-2.6 -55,-0.2 36,-0.9 -0.979 48.0 177.5-128.4 128.5 20.6 7.4 6.8 247 247 A G E -gh 193 282B 0 -55,-2.8 -53,-2.7 -2,-0.4 2,-0.4 -0.792 14.6-146.8-119.8 165.3 20.8 3.6 6.4 248 248 A L E -gh 194 283B 0 34,-1.3 36,-3.6 -2,-0.3 2,-0.4 -0.999 4.9-156.7-137.0 134.8 23.1 1.5 4.3 249 249 A R E +gh 195 284B 14 -55,-2.6 -53,-1.6 -2,-0.4 2,-0.3 -0.928 16.4 169.0-115.4 137.7 22.5 -1.8 2.5 250 250 A I E -gh 196 285B 0 34,-2.2 36,-1.7 -2,-0.4 -53,-0.3 -0.903 22.8-163.1-137.1 165.5 25.1 -4.4 1.5 251 251 A S > + 0 0 0 -55,-0.5 3,-1.4 -2,-0.3 -52,-0.1 -0.532 10.7 176.8-151.7 74.2 25.1 -8.0 0.2 252 252 A P T 3 S+ 0 0 0 0, 0.0 9,-0.3 0, 0.0 35,-0.1 0.633 84.6 33.7 -56.3 -18.9 28.6 -9.5 0.6 253 253 A L T 3 S+ 0 0 4 35,-0.4 2,-0.7 33,-0.4 41,-0.4 0.289 82.7 121.7-121.7 6.7 27.5 -12.9 -0.7 254 254 A N < - 0 0 0 -3,-1.4 35,-0.1 35,-0.2 -55,-0.1 -0.631 41.2-167.6 -78.1 114.8 25.0 -12.1 -3.3 255 255 A G > + 0 0 6 -2,-0.7 3,-1.6 3,-0.1 4,-0.3 0.350 36.1 136.0 -85.7 6.6 26.1 -13.5 -6.6 256 256 A V G > S+ 0 0 32 1,-0.3 3,-1.6 2,-0.2 -114,-0.0 -0.232 77.7 16.7 -53.4 143.2 23.7 -11.7 -8.9 257 257 A H G 3 S- 0 0 25 1,-0.3 -117,-0.3 -114,-0.1 -1,-0.3 0.731 133.2 -72.3 63.0 23.0 25.5 -10.4 -12.0 258 258 A G G < S+ 0 0 37 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.701 83.1 168.3 67.1 18.8 28.4 -12.7 -11.2 259 259 A M < + 0 0 1 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 -0.442 4.8 150.4 -66.9 134.5 29.4 -10.5 -8.2 260 260 A I - 0 0 84 -2,-0.2 -51,-2.1 -53,-0.0 2,-0.4 -0.934 31.2-159.4-167.6 141.9 31.9 -12.1 -5.9 261 261 A D - 0 0 4 -9,-0.3 -54,-0.1 -2,-0.3 -55,-0.0 -0.962 22.4-136.5-121.6 141.5 34.8 -11.2 -3.5 262 262 A S S S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.3 -55,-0.0 0.665 102.1 32.1 -72.5 -16.0 37.5 -13.7 -2.5 263 263 A N > + 0 0 77 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 -0.470 65.0 161.6-140.6 66.3 37.3 -12.7 1.1 264 264 A P H > S+ 0 0 20 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.822 75.8 56.0 -55.2 -36.6 33.7 -11.6 2.0 265 265 A E H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.966 110.9 40.9 -63.4 -54.0 34.3 -12.0 5.7 266 266 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 116.4 51.9 -61.9 -38.4 37.3 -9.7 5.9 267 267 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.935 111.8 45.2 -63.2 -47.5 35.6 -7.3 3.6 268 268 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.933 113.9 47.5 -63.6 -48.2 32.4 -7.1 5.6 269 269 A K H X S+ 0 0 72 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.884 111.7 52.5 -62.4 -36.4 34.2 -6.7 9.0 270 270 A H H X S+ 0 0 58 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.923 110.6 46.4 -65.9 -43.4 36.4 -4.0 7.5 271 271 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.932 109.4 55.3 -64.2 -45.1 33.4 -2.1 6.2 272 272 A C H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.913 110.9 43.3 -54.0 -47.7 31.5 -2.4 9.5 273 273 A K H < S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.823 111.5 56.8 -68.9 -29.1 34.4 -0.9 11.5 274 274 A K H < S+ 0 0 39 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 113.4 37.6 -71.7 -32.8 34.8 1.8 8.8 275 275 A I H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.531 90.9 94.3 -95.2 -6.9 31.2 3.0 9.1 276 276 A E G >< S+ 0 0 65 -4,-0.9 3,-0.9 1,-0.3 -1,-0.2 0.831 80.1 57.7 -52.4 -35.9 31.1 2.5 12.9 277 277 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.673 94.5 67.7 -71.1 -16.0 32.1 6.2 13.4 278 278 A L G < S- 0 0 23 -3,-1.8 -2,-0.2 -4,-0.1 -35,-0.1 0.635 88.1-142.9 -80.7 -15.3 29.1 7.5 11.4 279 279 A S < - 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