==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-AUG-12 4GIE . COMPND 2 MOLECULE: PROSTAGLANDIN F SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 288 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.1 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 0 0 3 1 1 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -6 A A > 0 0 66 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 156.3 2.6 -5.9 64.3 2 -5 A H G >> + 0 0 66 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.845 360.0 66.8 -58.2 -35.4 4.1 -2.4 63.6 3 -4 A H G >4>S+ 0 0 76 1,-0.3 3,-1.2 2,-0.2 5,-1.0 0.795 89.5 66.0 -58.2 -27.8 7.6 -3.7 64.5 4 -3 A H G X45S+ 0 0 55 -3,-1.4 3,-1.1 1,-0.3 -1,-0.3 0.795 89.3 65.2 -63.5 -28.5 7.5 -5.9 61.4 5 -2 A H G <45S+ 0 0 32 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.785 106.9 43.5 -60.2 -28.6 7.5 -2.7 59.3 6 -1 A H G <<5S- 0 0 84 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.291 110.8-123.4-102.3 5.1 11.0 -2.2 60.7 7 0 A H T < 5 + 0 0 4 -3,-1.1 3,-0.2 -4,-0.2 -3,-0.2 0.920 62.6 141.5 57.0 51.6 12.1 -5.8 60.3 8 1 A M < + 0 0 129 -5,-1.0 2,-0.6 1,-0.2 -4,-0.1 0.840 63.9 38.6 -94.9 -42.0 13.0 -6.3 64.0 9 2 A N S S+ 0 0 120 -6,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.841 93.6 100.0-115.4 90.1 11.9 -9.9 64.7 10 3 A C S S- 0 0 49 -2,-0.6 40,-0.0 -3,-0.2 -6,-0.0 -0.978 74.3-111.9-165.0 166.1 12.8 -11.9 61.7 11 4 A N S S+ 0 0 65 -2,-0.3 2,-0.2 39,-0.1 -1,-0.1 0.793 90.9 75.7 -79.4 -31.5 15.3 -14.4 60.2 12 5 A Y S S- 0 0 19 38,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.510 77.0-125.7 -84.8 150.6 16.8 -12.1 57.5 13 6 A N - 0 0 76 -2,-0.2 12,-2.9 11,-0.0 13,-0.4 -0.420 19.5-142.7 -81.9 164.0 19.2 -9.2 58.2 14 7 A C E -A 24 0A 23 10,-0.3 2,-0.4 11,-0.1 8,-0.1 -0.909 6.3-136.7-122.3 158.5 18.7 -5.6 57.1 15 8 A V E -A 23 0A 26 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.916 26.3-130.7-104.1 141.9 21.0 -2.8 55.8 16 9 A T E -A 22 0A 75 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.835 17.6-145.2-100.7 125.5 20.4 0.6 57.3 17 10 A L > - 0 0 6 4,-3.0 3,-2.4 -2,-0.5 173,-0.1 -0.315 32.6 -97.4 -83.1 169.4 20.1 3.5 54.9 18 11 A H T 3 S+ 0 0 66 171,-0.4 -1,-0.1 1,-0.3 172,-0.1 0.691 124.6 55.5 -68.4 -15.7 21.4 7.0 55.7 19 12 A N T 3 S- 0 0 38 2,-0.1 -1,-0.3 147,-0.0 3,-0.1 0.168 122.5-105.1 -95.3 15.3 18.0 8.2 56.8 20 13 A S S < S+ 0 0 98 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.376 72.9 144.8 76.7 2.7 17.8 5.3 59.4 21 14 A V - 0 0 22 121,-0.1 -4,-3.0 -5,-0.1 2,-0.6 -0.493 47.5-132.2 -71.3 137.4 15.4 3.2 57.3 22 15 A R E -A 16 0A 84 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.843 20.1-163.7 -98.3 116.7 16.0 -0.5 57.6 23 16 A M E -A 15 0A 1 -8,-3.0 -8,-2.5 -2,-0.6 30,-0.1 -0.871 26.4-113.8-104.0 121.8 16.1 -2.3 54.2 24 17 A P E -A 14 0A 0 0, 0.0 -10,-0.3 0, 0.0 -11,-0.0 -0.303 21.6-142.0 -57.0 131.8 15.7 -6.1 54.1 25 18 A Q S S+ 0 0 8 -12,-2.9 213,-2.7 212,-0.1 2,-0.4 0.661 83.1 51.3 -76.6 -17.7 19.0 -7.5 52.8 26 19 A L B +b 238 0B 2 -13,-0.4 26,-0.6 211,-0.2 2,-0.3 -0.987 67.7 160.8-120.0 129.7 17.4 -10.3 50.7 27 20 A G - 0 0 0 211,-2.3 2,-0.6 -2,-0.4 27,-0.2 -0.882 39.1-105.6-137.1 172.3 14.7 -9.7 48.2 28 21 A L E -c 54 0B 0 25,-2.4 27,-2.8 -2,-0.3 2,-0.3 -0.897 27.5-149.1-100.9 120.7 13.0 -11.3 45.2 29 22 A G E -cd 55 241B 6 211,-1.6 213,-0.6 -2,-0.6 27,-0.2 -0.661 9.7-170.6 -82.0 146.3 13.8 -9.9 41.8 30 23 A V > + 0 0 2 25,-1.6 3,-2.0 -2,-0.3 2,-0.1 0.232 32.7 136.8-125.8 13.6 11.1 -10.2 39.2 31 24 A W T 3 S+ 0 0 124 1,-0.2 3,-0.1 24,-0.2 -2,-0.1 -0.456 80.1 16.9 -61.2 132.6 12.7 -9.1 35.9 32 25 A R T 3 S+ 0 0 160 1,-0.3 2,-0.5 28,-0.2 -1,-0.2 0.372 91.6 126.4 79.9 0.7 11.6 -11.5 33.1 33 26 A A < - 0 0 4 -3,-2.0 -1,-0.3 209,-0.1 2,-0.1 -0.789 66.7-118.8 -80.9 127.2 8.7 -12.8 35.2 34 27 A Q > - 0 0 144 -2,-0.5 5,-1.4 -3,-0.1 27,-0.1 -0.389 31.7-103.0 -66.1 142.3 5.6 -12.5 33.0 35 28 A D T 5S+ 0 0 49 3,-0.2 3,-0.4 25,-0.1 2,-0.3 -0.208 89.6 26.4 -62.0 158.4 2.9 -10.2 34.4 36 29 A G T >>5S+ 0 0 23 1,-0.2 4,-2.9 26,-0.1 3,-0.6 -0.681 126.1 3.0 85.8-140.4 -0.1 -11.9 35.9 37 30 A A H 3>5S+ 0 0 66 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.806 126.8 55.7 -55.4 -41.3 0.1 -15.4 37.4 38 31 A E H 3>5S+ 0 0 83 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.934 117.4 35.6 -61.4 -45.0 3.8 -16.0 36.9 39 32 A T H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 4,-0.9 0.948 111.5 46.8 -62.5 -48.0 8.5 -15.7 48.2 47 40 A I H ><5S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.928 111.0 52.2 -60.4 -43.3 6.4 -14.1 50.9 48 41 A E H 3<5S+ 0 0 116 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.866 108.5 51.8 -58.7 -35.7 5.2 -17.5 52.1 49 42 A A H 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.611 131.3 -91.8 -77.3 -14.6 8.9 -18.6 52.3 50 43 A G T <<5S+ 0 0 16 -3,-1.1 -3,-0.2 -4,-0.9 -38,-0.2 0.313 75.3 143.5 121.8 -7.7 9.8 -15.5 54.4 51 44 A Y < - 0 0 1 -5,-2.5 -1,-0.3 -6,-0.2 -24,-0.1 -0.406 22.0-179.7 -64.0 143.0 10.9 -12.9 51.9 52 45 A R + 0 0 47 -26,-0.6 29,-2.6 1,-0.1 2,-0.3 -0.077 59.8 67.8-132.0 33.3 9.9 -9.3 52.8 53 46 A H E - e 0 81B 0 27,-0.2 -25,-2.4 -30,-0.1 2,-0.4 -0.941 53.8-173.4-157.8 125.7 11.3 -7.4 49.8 54 47 A I E -ce 28 82B 0 27,-2.5 29,-2.4 -2,-0.3 2,-0.6 -0.989 11.0-153.4-123.3 134.1 10.4 -7.4 46.2 55 48 A D E +ce 29 83B 3 -27,-2.8 -25,-1.6 -2,-0.4 -24,-0.2 -0.947 31.0 145.1-110.3 116.8 12.3 -5.6 43.4 56 49 A T - 0 0 0 27,-2.6 2,-0.3 -2,-0.6 3,-0.1 -0.608 26.6-154.8-131.1-167.7 10.4 -4.5 40.3 57 50 A A > > - 0 0 0 27,-0.2 3,-1.2 -2,-0.2 5,-0.5 -0.936 33.8-110.2-167.1 150.3 10.4 -1.6 37.8 58 51 A Y G > 5S+ 0 0 101 27,-1.5 3,-2.0 -2,-0.3 5,-0.2 0.931 118.4 55.6 -51.4 -46.0 7.9 0.0 35.5 59 52 A I G 3 5S+ 0 0 64 1,-0.3 -1,-0.2 26,-0.2 27,-0.0 0.664 91.1 70.9 -69.6 -14.3 9.7 -1.4 32.5 60 53 A Y G < 5S- 0 0 33 -3,-1.2 -1,-0.3 1,-0.1 -28,-0.2 0.655 95.5-141.7 -73.5 -14.6 9.4 -5.0 33.8 61 54 A S T < 5S+ 0 0 81 -3,-2.0 4,-0.1 -4,-0.4 -26,-0.1 0.588 75.7 94.5 69.7 15.2 5.7 -4.7 32.9 62 55 A N >< + 0 0 0 -5,-0.5 4,-2.1 1,-0.1 5,-0.1 0.167 32.0 114.1-131.5 22.3 4.7 -6.7 36.0 63 56 A E H > S+ 0 0 2 -6,-0.2 4,-2.2 -5,-0.2 5,-0.2 0.860 82.1 56.9 -58.2 -35.1 3.9 -4.1 38.8 64 57 A R H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.968 107.8 46.3 -59.9 -50.4 0.3 -5.4 38.6 65 58 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.840 108.8 56.2 -59.6 -37.4 1.4 -8.9 39.3 66 59 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.953 110.2 43.8 -61.5 -49.5 3.7 -7.8 42.2 67 60 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.875 112.1 53.9 -64.1 -36.4 0.8 -6.1 44.0 68 61 A Q H X S+ 0 0 78 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.924 108.9 48.4 -62.1 -44.8 -1.5 -9.1 43.3 69 62 A G H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.896 110.7 51.3 -62.5 -41.5 1.0 -11.5 44.8 70 63 A I H X S+ 0 0 6 -4,-2.2 4,-0.7 2,-0.2 5,-0.5 0.954 113.5 43.9 -60.9 -48.1 1.4 -9.2 47.9 71 64 A R H >< S+ 0 0 135 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.924 111.9 52.9 -64.6 -42.5 -2.4 -9.1 48.4 72 65 A E H 3< S+ 0 0 111 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 101.0 62.2 -62.7 -30.1 -2.8 -12.9 47.7 73 66 A S H 3< S- 0 0 23 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.733 95.8-142.3 -66.8 -24.8 -0.2 -13.6 50.4 74 67 A G << + 0 0 64 -3,-1.2 -3,-0.1 -4,-0.7 -1,-0.1 0.375 53.4 137.2 76.2 -2.5 -2.4 -12.0 53.1 75 68 A V - 0 0 30 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.1 -0.585 68.6 -99.3 -77.7 133.0 0.7 -10.5 54.8 76 69 A P > - 0 0 68 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.269 29.0-127.2 -54.4 135.2 0.1 -6.9 55.9 77 70 A R G > S+ 0 0 47 1,-0.3 3,-2.1 2,-0.2 -2,-0.1 0.817 104.9 67.5 -56.9 -34.7 1.6 -4.6 53.3 78 71 A E G 3 S+ 0 0 73 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.681 95.0 58.4 -60.0 -19.2 3.5 -2.7 55.9 79 72 A E G < S+ 0 0 21 -3,-2.2 2,-0.4 -73,-0.1 -1,-0.3 0.527 97.5 73.8 -86.8 -8.0 5.7 -5.8 56.5 80 73 A V S < S- 0 0 1 -3,-2.1 2,-0.5 -4,-0.3 -27,-0.2 -0.893 71.3-141.5-114.1 136.5 6.9 -6.0 52.9 81 74 A W E -e 53 0B 0 -29,-2.6 -27,-2.5 -2,-0.4 2,-0.5 -0.852 17.6-166.9 -93.2 128.0 9.4 -3.7 51.2 82 75 A V E -e 54 0B 0 -2,-0.5 32,-1.8 -29,-0.2 31,-1.0 -0.975 3.7-171.0-118.7 124.7 8.7 -2.8 47.6 83 76 A T E +ef 55 114B 0 -29,-2.4 -27,-2.6 -2,-0.5 2,-0.3 -0.935 12.0 165.6-105.7 134.9 11.2 -1.2 45.2 84 77 A T E - f 0 115B 0 30,-2.2 32,-1.8 -2,-0.4 2,-0.3 -0.838 19.8-136.7-139.3-179.2 10.3 0.2 41.8 85 78 A K E - f 0 116B 0 -2,-0.3 -27,-1.5 30,-0.2 2,-0.5 -0.992 15.0-118.6-145.9 142.5 12.1 2.4 39.3 86 79 A V E - f 0 117B 0 30,-2.4 32,-1.9 -2,-0.3 33,-0.4 -0.734 39.6-131.7 -85.9 122.7 11.5 5.4 37.0 87 80 A W > - 0 0 27 -2,-0.5 3,-1.9 31,-0.1 4,-0.2 -0.263 21.4-103.9 -76.5 160.9 12.1 4.3 33.4 88 81 A N G > S+ 0 0 2 1,-0.3 3,-1.3 197,-0.2 200,-0.5 0.830 118.4 56.3 -54.6 -40.1 14.3 6.3 30.9 89 82 A S G 3 S+ 0 0 21 1,-0.3 -1,-0.3 198,-0.2 197,-0.1 0.675 105.7 53.4 -67.4 -18.9 11.3 7.6 29.0 90 83 A D G < S+ 0 0 34 -3,-1.9 -1,-0.3 6,-0.0 9,-0.2 0.303 78.0 124.9-103.2 8.3 9.9 9.2 32.2 91 84 A Q < + 0 0 6 -3,-1.3 4,-0.1 -4,-0.2 34,-0.1 -0.289 39.0 74.5 -67.7 157.5 12.9 11.1 33.2 92 85 A G S > S- 0 0 10 32,-0.5 4,-2.5 1,-0.1 5,-0.3 -0.114 92.9 -83.9 105.4 148.1 12.4 14.9 33.9 93 86 A Y H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 123.4 33.2 -55.8 -60.8 10.7 16.5 36.8 94 87 A E H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 118.7 52.9 -66.6 -38.0 7.0 16.4 35.9 95 88 A K H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 109.3 50.6 -65.5 -32.2 7.3 13.1 33.9 96 89 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.912 108.3 50.6 -73.6 -42.2 8.9 11.4 36.9 97 90 A L H X S+ 0 0 32 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.923 114.2 46.2 -58.4 -43.5 6.2 12.6 39.3 98 91 A A H X S+ 0 0 62 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 110.7 51.6 -65.7 -42.8 3.6 11.2 36.9 99 92 A A H X S+ 0 0 9 -4,-2.4 4,-2.5 -9,-0.2 -1,-0.2 0.874 107.3 54.1 -62.3 -38.4 5.5 7.9 36.4 100 93 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.932 107.6 49.6 -60.4 -47.1 5.6 7.5 40.2 101 94 A E H X S+ 0 0 60 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.905 110.6 50.5 -59.8 -41.5 1.9 7.9 40.5 102 95 A R H X S+ 0 0 43 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.931 111.8 47.2 -62.2 -45.6 1.3 5.3 37.7 103 96 A S H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.921 111.5 50.7 -61.3 -45.0 3.6 2.8 39.4 104 97 A R H X>S+ 0 0 54 -4,-2.7 5,-2.2 1,-0.2 4,-1.2 0.913 112.6 47.6 -59.8 -43.6 2.0 3.3 42.8 105 98 A E H <5S+ 0 0 149 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.935 111.1 49.3 -64.3 -47.2 -1.4 2.8 41.2 106 99 A L H <5S+ 0 0 41 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.907 113.7 46.8 -60.1 -41.9 -0.4 -0.4 39.3 107 100 A L H <5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.716 108.5-128.7 -68.6 -23.5 1.1 -1.8 42.5 108 101 A G T <5 + 0 0 45 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.830 60.6 137.1 75.6 37.6 -2.0 -0.9 44.5 109 102 A L < - 0 0 19 -5,-2.2 -1,-0.2 -6,-0.1 3,-0.1 -0.729 57.6-149.1-117.2 156.8 -0.1 0.9 47.2 110 103 A E S S+ 0 0 75 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.666 91.7 12.7 -90.4 -26.0 -0.4 4.2 49.1 111 104 A Y - 0 0 47 -7,-0.1 2,-0.4 30,-0.0 -1,-0.3 -0.971 69.2-137.4-145.0 156.0 3.4 4.5 49.5 112 105 A I E - g 0 141B 0 28,-2.1 30,-1.7 -2,-0.3 31,-0.3 -0.922 11.8-143.2-112.5 141.9 6.5 2.8 47.9 113 106 A D E S+ 0 0 1 -31,-1.0 30,-1.0 -2,-0.4 2,-0.4 0.956 83.4 11.2 -70.9 -47.5 9.4 1.9 50.1 114 107 A L E -fg 83 143B 0 -32,-1.8 -30,-2.2 28,-0.2 2,-0.4 -0.998 60.9-169.8-137.5 129.9 12.2 2.7 47.5 115 108 A Y E -fg 84 144B 0 28,-1.5 30,-2.1 -2,-0.4 2,-0.4 -0.987 15.8-168.0-120.5 129.2 12.1 4.5 44.2 116 109 A L E -fg 85 145B 0 -32,-1.8 -30,-2.4 -2,-0.4 2,-0.6 -0.918 31.4-120.5-119.3 142.5 15.1 4.5 42.0 117 110 A I E -fg 86 146B 0 28,-1.8 30,-1.2 -2,-0.4 -30,-0.1 -0.705 34.9-150.0 -68.6 117.7 16.3 6.3 38.9 118 111 A H + 0 0 9 -32,-1.9 -1,-0.2 -2,-0.6 -31,-0.1 0.915 69.2 2.0 -68.4 -48.8 16.6 3.2 36.7 119 112 A W - 0 0 15 -33,-0.4 -1,-0.2 1,-0.1 29,-0.1 -0.985 66.3-133.3-137.1 146.6 19.5 4.2 34.4 120 113 A P + 0 0 0 0, 0.0 5,-0.4 0, 0.0 4,-0.4 0.859 31.4 177.8 -69.8 -37.9 21.5 7.5 34.4 121 114 A G - 0 0 4 162,-0.4 162,-0.1 159,-0.3 163,-0.0 -0.375 45.5 -87.4 56.9-143.9 21.5 8.5 30.8 122 115 A K S S+ 0 0 120 162,-0.1 -1,-0.1 -2,-0.0 159,-0.0 0.721 102.3 22.4-126.6 -39.5 23.3 11.8 30.3 123 116 A K S S+ 0 0 90 2,-0.1 4,-0.2 1,-0.0 -2,-0.1 0.492 111.8 48.3-126.4 -10.3 21.2 14.9 30.7 124 117 A K S > S+ 0 0 89 -4,-0.4 4,-2.2 2,-0.1 -32,-0.5 0.413 77.0 92.6-119.5 0.9 18.0 14.4 32.8 125 118 A F H > S+ 0 0 2 -5,-0.4 4,-2.4 1,-0.2 5,-0.1 0.848 85.3 54.5 -70.9 -30.5 19.0 12.5 36.0 126 119 A V H > S+ 0 0 31 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.943 112.4 42.8 -64.3 -46.7 19.6 15.7 38.0 127 120 A D H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.879 113.4 53.2 -67.6 -37.8 16.1 17.0 37.3 128 121 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-0.5 0.915 105.1 54.9 -59.6 -43.8 14.7 13.5 37.8 129 122 A W H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.879 100.3 59.6 -60.0 -38.0 16.4 13.4 41.2 130 123 A K H X S+ 0 0 104 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.873 104.4 50.9 -58.7 -36.7 14.6 16.6 42.2 131 124 A A H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.5 -1,-0.2 0.913 107.9 51.6 -66.7 -42.1 11.3 14.8 41.6 132 125 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.912 108.3 52.2 -60.3 -40.4 12.4 11.9 43.9 133 126 A E H X S+ 0 0 32 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.896 109.9 49.3 -61.5 -39.2 13.3 14.5 46.6 134 127 A K H X S+ 0 0 69 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.938 110.1 49.6 -65.1 -46.0 9.8 16.0 46.2 135 128 A L H <>S+ 0 0 2 -4,-2.7 5,-2.2 1,-0.2 6,-0.8 0.882 112.1 49.5 -59.2 -39.7 8.2 12.5 46.5 136 129 A Y H ><5S+ 0 0 59 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.924 109.3 50.5 -65.7 -45.9 10.3 11.9 49.6 137 130 A E H 3<5S+ 0 0 130 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.886 109.2 53.1 -56.6 -39.2 9.3 15.3 51.2 138 131 A E T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.418 112.6-122.1 -77.3 -2.3 5.7 14.3 50.5 139 132 A K T < 5S+ 0 0 171 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.695 78.5 123.9 64.7 24.5 6.1 11.0 52.4 140 133 A K S - 0 0 44 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.500 37.1 -94.9 -88.4 167.8 29.1 5.3 38.3 151 144 A P H > S+ 0 0 35 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.888 126.1 54.7 -53.0 -39.0 31.2 7.5 40.6 152 145 A H H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.890 107.9 48.6 -64.9 -37.8 31.2 10.3 37.9 153 146 A H H > S+ 0 0 5 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.912 113.1 47.7 -65.5 -41.9 27.4 10.3 37.8 154 147 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.933 110.6 50.7 -65.8 -45.1 27.2 10.4 41.6 155 148 A T H X S+ 0 0 57 -4,-2.8 4,-1.0 -5,-0.2 -1,-0.2 0.913 111.3 49.4 -58.4 -41.5 29.7 13.2 41.9 156 149 A E H >< S+ 0 0 92 -4,-2.0 3,-0.7 -5,-0.2 4,-0.3 0.937 112.4 47.5 -63.6 -45.5 27.7 15.2 39.3 157 150 A L H >X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 3,-2.1 0.894 103.2 62.4 -63.0 -38.7 24.5 14.6 41.2 158 151 A F H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 95.3 62.0 -57.9 -30.8 26.1 15.6 44.5 159 152 A K T << S+ 0 0 167 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.658 117.5 27.4 -68.9 -16.9 26.7 19.1 43.1 160 153 A S T <4 S+ 0 0 68 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.601 98.3 98.8-118.9 -18.5 22.9 19.6 42.7 161 154 A C < - 0 0 27 -4,-2.1 3,-0.1 1,-0.1 -31,-0.0 -0.277 45.7-164.4 -85.5 157.6 21.1 17.5 45.3 162 155 A K S S+ 0 0 85 1,-0.3 2,-0.4 -2,-0.0 -1,-0.1 0.662 91.3 34.5 -96.9 -33.5 19.6 18.3 48.7 163 156 A I S S- 0 0 56 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.998 87.9-133.1-122.1 123.8 19.3 14.6 49.7 164 157 A R - 0 0 109 -2,-0.4 -20,-0.2 -3,-0.1 -146,-0.1 -0.458 38.2 -85.4 -74.8 150.4 22.0 12.3 48.6 165 158 A P - 0 0 0 0, 0.0 -20,-0.2 0, 0.0 -1,-0.1 -0.215 32.2-158.0 -53.0 143.0 21.0 8.9 47.1 166 159 A M S S+ 0 0 2 -22,-2.5 25,-2.3 1,-0.2 2,-0.3 0.693 73.3 26.0 -96.1 -23.7 20.4 6.2 49.7 167 160 A V E - i 0 191B 0 -23,-0.3 -21,-2.7 23,-0.2 2,-0.4 -0.980 54.4-163.9-140.3 145.3 20.9 3.2 47.4 168 161 A N E -hi 146 192B 0 23,-2.4 25,-1.6 -2,-0.3 2,-0.6 -0.964 15.4-158.5-128.9 112.5 22.8 2.4 44.2 169 162 A Q E +hi 147 193B 3 -23,-2.0 -21,-2.0 -2,-0.4 2,-0.3 -0.855 27.3 158.4 -95.1 118.1 21.5 -0.8 42.6 170 163 A V E - i 0 194B 2 23,-2.6 25,-2.4 -2,-0.6 2,-0.1 -0.943 49.8 -82.5-139.9 158.2 24.2 -2.2 40.2 171 164 A E E + i 0 195B 0 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.407 57.5 163.0 -59.7 128.0 25.3 -5.4 38.6 172 165 A L + 0 0 0 23,-2.2 5,-0.2 -2,-0.1 27,-0.1 -0.844 6.6 128.7-158.9 116.4 27.4 -7.3 41.1 173 166 A H B > S-K 176 0C 0 3,-1.6 3,-1.6 -2,-0.3 25,-0.1 -0.904 71.9 -74.3-155.5 176.9 28.4 -11.0 41.2 174 167 A P T 3 S+ 0 0 1 0, 0.0 3,-0.2 0, 0.0 99,-0.1 0.743 129.5 47.0 -60.3 -20.3 31.6 -13.0 41.6 175 168 A L T 3 S+ 0 0 20 1,-0.2 99,-2.3 96,-0.2 97,-1.7 0.662 121.5 35.0 -89.3 -14.4 32.8 -12.1 38.1 176 169 A F B < +K 173 0C 14 -3,-1.6 -3,-1.6 97,-0.3 -1,-0.2 -0.824 66.9 169.0-141.6 91.1 32.1 -8.4 38.3 177 170 A Q - 0 0 0 -2,-0.3 5,-0.1 -3,-0.2 -1,-0.1 0.440 33.3-139.9-100.4 1.4 32.7 -7.2 41.8 178 171 A Q > + 0 0 19 1,-0.1 4,-2.9 3,-0.1 5,-0.2 0.838 33.9 168.5 55.5 42.2 32.5 -3.4 41.4 179 172 A R H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 71.5 45.2 -62.3 -43.9 35.5 -2.7 43.7 180 173 A T H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 116.0 45.3 -66.1 -46.5 35.9 1.0 42.8 181 174 A L H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 112.1 53.1 -64.4 -39.5 32.2 1.9 42.9 182 175 A R H X S+ 0 0 35 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.904 108.0 50.2 -63.6 -39.0 31.8 -0.0 46.2 183 176 A E H X S+ 0 0 59 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.931 112.4 47.9 -61.3 -45.5 34.7 2.0 47.7 184 177 A F H X S+ 0 0 35 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 113.5 46.2 -61.6 -46.4 33.0 5.2 46.6 185 178 A C H <>S+ 0 0 1 -4,-2.8 5,-2.7 1,-0.2 4,-0.4 0.888 111.5 51.7 -70.4 -33.9 29.6 4.2 47.9 186 179 A K H ><5S+ 0 0 174 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.928 108.7 51.6 -62.7 -45.6 31.0 3.0 51.2 187 180 A Q H 3<5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.904 117.4 38.8 -57.0 -40.9 32.9 6.4 51.7 188 181 A H T 3<5S- 0 0 64 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.225 112.1-113.1-101.9 12.9 29.6 8.3 51.0 189 182 A N T < 5 + 0 0 99 -3,-1.1 2,-0.5 -4,-0.4 -171,-0.4 0.865 63.9 147.0 60.3 43.4 27.2 6.1 52.9 190 183 A I < - 0 0 8 -5,-2.7 -23,-0.2 -8,-0.1 -1,-0.2 -0.954 44.8-131.8-109.0 120.6 25.3 4.9 49.8 191 184 A A E -i 167 0B 16 -25,-2.3 -23,-2.4 -2,-0.5 2,-0.4 -0.456 17.5-135.7 -73.3 145.5 24.0 1.3 50.2 192 185 A I E -i 168 0B 14 43,-0.3 45,-2.5 -25,-0.2 2,-0.4 -0.865 14.1-166.2-103.4 133.1 24.6 -1.1 47.4 193 186 A T E -ij 169 237B 0 -25,-1.6 -23,-2.6 -2,-0.4 2,-0.6 -0.985 19.9-134.9-111.2 132.1 22.1 -3.6 46.0 194 187 A A E -ij 170 238B 0 43,-3.1 45,-1.4 -2,-0.4 2,-0.2 -0.787 17.3-165.2 -88.1 118.0 23.4 -6.3 43.7 195 188 A W E S+i 171 0B 38 -25,-2.4 -23,-2.2 -2,-0.6 4,-0.1 -0.654 77.0 18.8 -94.8 161.8 21.5 -7.0 40.5 196 189 A S S > S+ 0 0 25 -2,-0.2 3,-2.1 43,-0.2 -1,-0.2 0.902 77.8 167.6 38.9 51.6 22.1 -10.2 38.5 197 190 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.738 74.7 42.0 -65.1 -21.8 23.6 -11.5 41.7 198 191 A L T 3 S- 0 0 25 -25,-0.1 3,-0.4 -24,-0.1 9,-0.4 0.166 126.9 -96.9-104.4 13.2 23.7 -15.0 40.3 199 192 A G < - 0 0 1 -3,-2.1 5,-0.4 1,-0.2 6,-0.1 0.551 56.8 -88.5 82.4 7.3 24.9 -14.0 36.8 200 193 A S S S- 0 0 53 3,-0.1 3,-0.2 4,-0.1 -1,-0.2 0.829 89.8 -36.0 62.3 37.8 21.4 -13.9 35.2 201 194 A G S >> S- 0 0 48 -3,-0.4 3,-0.7 1,-0.2 4,-0.5 -0.503 90.2 -47.2 111.2-175.3 21.2 -17.5 34.1 202 195 A E G >4 S+ 0 0 189 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.756 112.2 75.1 -72.6 -25.8 23.4 -20.3 32.8 203 196 A E G 34 S+ 0 0 113 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.900 97.0 49.2 -54.3 -43.7 25.2 -18.3 30.0 204 197 A A G <4 S- 0 0 26 -3,-0.7 -1,-0.3 -5,-0.4 -2,-0.2 0.718 97.6-146.7 -71.9 -22.8 27.4 -16.5 32.5 205 198 A G X< + 0 0 32 -3,-0.9 3,-1.2 -4,-0.5 4,-0.3 0.557 51.3 135.9 76.9 10.1 28.2 -19.9 34.2 206 199 A I G > + 0 0 8 -5,-0.4 3,-1.8 1,-0.3 6,-0.2 0.903 67.6 55.1 -61.4 -42.2 28.6 -18.6 37.7 207 200 A L G 3 S+ 0 0 78 -9,-0.4 -1,-0.3 1,-0.3 17,-0.1 0.628 107.3 51.4 -71.7 -11.3 26.6 -21.4 39.4 208 201 A K G < S+ 0 0 93 -3,-1.2 -1,-0.3 -6,-0.1 -2,-0.2 0.370 78.5 131.2 -99.4 2.0 28.9 -24.0 37.8 209 202 A N <> - 0 0 47 -3,-1.8 4,-2.1 -4,-0.3 5,-0.1 -0.304 58.5-136.2 -60.2 136.5 32.1 -22.4 39.0 210 203 A H H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 100.9 51.8 -66.6 -39.4 34.4 -25.0 40.7 211 204 A V H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 111.7 46.8 -62.8 -46.5 35.4 -22.8 43.6 212 205 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.886 110.9 54.5 -61.1 -37.2 31.8 -22.0 44.5 213 206 A G H X S+ 0 0 26 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.896 108.1 48.0 -64.5 -40.6 31.0 -25.7 44.1 214 207 A E H X S+ 0 0 91 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.905 113.3 46.8 -67.5 -40.3 33.7 -26.7 46.6 215 208 A I H X S+ 0 0 5 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.917 111.9 51.7 -65.3 -43.6 32.5 -24.1 49.1 216 209 A A H X>S+ 0 0 3 -4,-2.6 5,-2.3 -5,-0.2 4,-0.7 0.926 109.0 51.2 -55.5 -47.6 28.9 -25.3 48.6 217 210 A K H ><5S+ 0 0 156 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.910 106.1 54.4 -59.0 -42.5 30.0 -28.9 49.2 218 211 A K H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.857 118.5 34.8 -60.8 -36.0 31.8 -27.9 52.5 219 212 A H H 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.392 106.0-121.5 -97.8 0.5 28.6 -26.3 53.8 220 213 A N T <<5S+ 0 0 151 -3,-0.9 2,-0.2 -4,-0.7 -3,-0.2 0.921 76.0 119.6 47.9 48.5 26.1 -28.7 52.2 221 214 A K < - 0 0 29 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.744 68.3 -99.0-124.5 172.6 24.5 -25.7 50.4 222 215 A S > - 0 0 24 -2,-0.2 4,-2.2 28,-0.1 5,-0.2 -0.624 31.9-111.4 -89.7 159.0 24.1 -24.9 46.7 223 216 A P H > S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.896 120.2 54.9 -53.2 -40.6 26.4 -22.6 44.8 224 217 A A H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 107.1 49.2 -59.4 -44.4 23.5 -20.1 44.6 225 218 A Q H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 109.9 52.4 -62.2 -39.1 23.1 -20.1 48.3 226 219 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 109.9 47.7 -61.7 -45.9 26.9 -19.6 48.7 227 220 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 112.3 49.0 -62.0 -45.5 26.8 -16.5 46.4 228 221 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.917 111.7 49.4 -60.9 -42.5 23.8 -15.0 48.2 229 222 A R H X S+ 0 0 32 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.883 108.1 54.0 -64.4 -38.2 25.6 -15.6 51.6 230 223 A W H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.933 108.8 49.4 -59.8 -44.5 28.8 -13.9 50.1 231 224 A D H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.4 0.949 111.6 49.7 -56.1 -49.8 26.6 -10.9 49.2 232 225 A I H ><5S+ 0 0 8 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.923 109.4 49.5 -58.6 -47.4 25.2 -10.9 52.7 233 226 A Q H 3<5S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.755 106.2 57.4 -70.6 -20.7 28.5 -11.0 54.5 234 227 A H T 3<5S- 0 0 60 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.394 117.5-114.0 -82.4 2.5 29.8 -8.2 52.3 235 228 A G T < 5S+ 0 0 44 -3,-1.9 2,-0.3 1,-0.3 -43,-0.3 0.709 71.0 140.3 73.2 19.5 26.9 -6.0 53.6 236 229 A I < - 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