==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-NOV-07 2VFI . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR P.GAYATHRI,M.BANERJEE,A.VIJAYALAKSHMI,H.BALARAM,P.BALARAM, . 492 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 39 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 4 7 2 0 0 2 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 5 0 6 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 121 0, 0.0 2,-0.4 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 123.1 34.0 -15.2 40.6 2 4 A K - 0 0 62 199,-0.2 33,-0.1 1,-0.1 32,-0.1 -0.638 360.0-121.1 -85.4 128.4 30.2 -15.6 40.5 3 5 A Y E -a 35 0A 74 31,-0.6 33,-2.7 -2,-0.4 2,-0.4 -0.257 21.9-154.6 -68.2 157.9 28.6 -17.4 37.6 4 6 A F E -ab 36 226A 0 221,-1.8 223,-1.1 31,-0.2 2,-0.6 -0.915 11.6-175.8-145.7 103.1 26.0 -15.6 35.5 5 7 A V E -ab 37 227A 0 31,-3.1 33,-2.1 -2,-0.4 2,-0.4 -0.914 15.1-169.7-107.1 114.0 23.3 -17.3 33.4 6 8 A A E -ab 38 228A 0 221,-2.8 223,-3.0 -2,-0.6 2,-0.7 -0.841 16.1-150.4-110.7 140.2 21.2 -14.8 31.4 7 9 A A E -ab 39 229A 0 31,-3.2 33,-3.2 -2,-0.4 2,-1.0 -0.914 8.0-169.2-109.2 104.8 18.0 -15.4 29.5 8 10 A N E -a 40 0A 2 221,-2.7 225,-0.2 -2,-0.7 226,-0.1 -0.817 5.1-178.9 -92.2 97.7 17.6 -13.1 26.5 9 11 A W - 0 0 5 31,-1.5 -1,-0.2 -2,-1.0 33,-0.1 0.612 19.9-169.8 -71.8 -12.7 13.9 -13.6 25.5 10 12 A K - 0 0 12 30,-0.4 2,-1.4 1,-0.2 -1,-0.2 -0.186 59.9 -19.4 53.7-145.6 14.4 -11.2 22.5 11 13 A C B S+I 317 0B 0 306,-1.4 306,-2.3 304,-0.1 2,-0.3 -0.545 111.1 108.2 -91.4 70.8 11.1 -10.2 20.8 12 14 A N + 0 0 37 -2,-1.4 30,-0.4 304,-0.2 2,-0.1 -0.981 36.5 62.2-144.7 151.7 9.1 -13.2 22.0 13 15 A G - 0 0 18 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.115 41.8-132.4 120.2 151.6 6.3 -14.1 24.4 14 16 A T > - 0 0 53 -2,-0.1 4,-2.1 316,-0.0 5,-0.2 -0.823 39.8-103.2-122.3 170.1 2.7 -13.7 25.4 15 17 A L H > S+ 0 0 50 -2,-0.3 4,-1.4 1,-0.2 5,-0.0 0.865 124.2 42.3 -59.2 -36.8 1.2 -13.0 28.8 16 18 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.886 111.8 51.2 -78.5 -42.8 0.2 -16.7 29.1 17 19 A S H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.864 112.3 48.3 -62.9 -37.9 3.4 -18.2 27.7 18 20 A I H X S+ 0 0 3 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.913 108.5 54.1 -67.0 -44.9 5.4 -16.1 30.1 19 21 A K H X S+ 0 0 92 -4,-1.4 4,-0.9 -5,-0.2 -2,-0.2 0.886 114.0 42.7 -51.9 -42.9 3.1 -17.3 33.0 20 22 A S H X S+ 0 0 66 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.893 117.9 43.3 -73.8 -42.7 3.8 -20.9 31.9 21 23 A L H X S+ 0 0 17 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.884 111.9 53.7 -71.1 -40.1 7.6 -20.5 31.4 22 24 A T H X S+ 0 0 2 -4,-3.3 4,-1.8 1,-0.2 32,-0.2 0.775 105.1 56.9 -64.3 -28.6 8.0 -18.4 34.6 23 25 A N H X S+ 0 0 79 -4,-0.9 4,-0.8 -5,-0.3 -1,-0.2 0.860 107.7 45.4 -71.3 -39.7 6.3 -21.2 36.5 24 26 A S H < S+ 0 0 23 -4,-1.2 4,-0.4 2,-0.2 -2,-0.2 0.827 111.2 54.2 -72.2 -34.7 8.8 -23.8 35.4 25 27 A F H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.921 105.0 53.8 -62.3 -46.8 11.7 -21.4 36.1 26 28 A N H 3< S+ 0 0 22 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.747 96.8 66.2 -61.4 -28.8 10.4 -20.9 39.7 27 29 A N T 3< S+ 0 0 126 -4,-0.8 2,-0.5 -3,-0.1 -1,-0.3 0.701 81.1 96.0 -67.6 -21.3 10.4 -24.7 40.4 28 30 A L S < S- 0 0 16 -3,-1.4 2,-0.7 -4,-0.4 -3,-0.0 -0.610 71.1-143.0 -76.1 122.0 14.2 -24.8 40.1 29 31 A D + 0 0 145 -2,-0.5 2,-0.3 2,-0.0 -2,-0.1 -0.783 37.3 148.7 -87.7 112.6 16.0 -24.6 43.4 30 32 A F - 0 0 11 -2,-0.7 213,-0.0 5,-0.0 3,-0.0 -0.985 48.7-113.6-141.8 155.2 19.1 -22.5 43.2 31 33 A D >> - 0 0 80 -2,-0.3 4,-1.8 1,-0.1 3,-1.3 -0.794 17.3-161.1 -91.1 110.9 21.1 -20.2 45.6 32 34 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.653 91.6 59.8 -66.3 -16.6 21.0 -16.5 44.3 33 35 A S T 34 S+ 0 0 95 1,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.694 113.2 36.8 -79.8 -22.5 24.1 -15.7 46.5 34 36 A K T <4 S+ 0 0 158 -3,-1.3 -31,-0.6 1,-0.3 2,-0.4 0.702 125.7 30.4 -98.4 -27.4 26.1 -18.4 44.6 35 37 A L E < -a 3 0A 8 -4,-1.8 2,-0.5 -33,-0.1 -1,-0.3 -0.997 66.1-140.4-143.4 130.4 24.7 -17.9 41.1 36 38 A D E -a 4 0A 13 -33,-2.7 -31,-3.1 -2,-0.4 2,-0.5 -0.815 20.5-179.0 -88.9 124.4 23.3 -15.0 39.1 37 39 A V E -a 5 0A 0 -2,-0.5 21,-3.1 19,-0.4 2,-0.4 -0.958 8.1-175.0-126.8 112.5 20.3 -15.9 37.0 38 40 A V E -ac 6 58A 0 -33,-2.1 -31,-3.2 -2,-0.5 2,-0.4 -0.879 13.5-157.0-116.1 136.5 18.9 -13.0 34.9 39 41 A V E -ac 7 59A 0 19,-2.2 21,-1.8 -2,-0.4 -31,-0.2 -0.942 2.2-164.7-112.1 131.9 15.8 -12.8 32.7 40 42 A F E +a 8 0A 0 -33,-3.2 -31,-1.5 -2,-0.4 -30,-0.4 -0.800 18.2 173.7-116.8 87.7 15.5 -10.2 30.0 41 43 A P - 0 0 0 0, 0.0 21,-0.6 0, 0.0 -31,-0.1 -0.254 45.2 -73.9 -81.4 175.8 11.9 -9.9 28.7 42 44 A V >> - 0 0 2 -30,-0.4 3,-1.5 19,-0.1 4,-0.6 -0.406 51.2-109.0 -61.7 147.2 10.4 -7.4 26.3 43 45 A S G >4 S+ 0 0 22 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.854 120.3 47.9 -49.4 -44.8 10.0 -4.0 27.9 44 46 A V G 34 S+ 0 0 16 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.645 111.1 53.0 -74.3 -15.3 6.2 -4.2 28.0 45 47 A H G <> S+ 0 0 0 -3,-1.5 4,-2.8 1,-0.1 -1,-0.2 0.479 84.3 94.0 -91.9 -6.1 6.5 -7.7 29.5 46 48 A Y H S+ 0 0 56 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.904 117.0 48.4 -59.9 -44.2 6.3 -5.9 35.1 48 50 A H H > S+ 0 0 51 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.906 115.3 44.8 -60.9 -44.8 4.4 -9.1 34.3 49 51 A T H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.886 113.2 49.9 -68.5 -41.5 7.7 -11.1 34.2 50 52 A R H < S+ 0 0 69 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.869 110.1 50.6 -66.9 -39.5 9.0 -9.5 37.5 51 53 A K H < S+ 0 0 128 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.917 115.2 42.5 -60.7 -45.8 5.8 -10.2 39.4 52 54 A L H < S+ 0 0 37 -4,-1.6 2,-0.2 -5,-0.2 -2,-0.2 0.825 99.4 82.7 -75.8 -36.4 5.7 -13.8 38.4 53 55 A L S < S- 0 0 7 -4,-2.2 2,-0.1 -5,-0.1 -30,-0.1 -0.503 84.6-117.4 -70.5 135.9 9.4 -14.6 38.9 54 56 A Q > - 0 0 96 -32,-0.2 3,-2.3 -2,-0.2 -1,-0.1 -0.405 32.1-105.6 -68.2 152.7 10.6 -15.4 42.4 55 57 A S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.641 114.4 75.7 -61.5 -16.3 13.1 -12.9 43.8 56 58 A K T 3 S+ 0 0 29 -30,-0.1 -19,-0.4 2,-0.1 2,-0.4 0.783 86.0 75.9 -62.9 -29.4 16.0 -15.4 43.3 57 59 A F S < S- 0 0 0 -3,-2.3 -19,-0.2 -21,-0.1 2,-0.2 -0.741 79.3-143.5 -84.1 129.4 15.8 -14.5 39.6 58 60 A S E -c 38 0A 15 -21,-3.1 -19,-2.2 -2,-0.4 2,-0.3 -0.534 17.7-151.1 -83.5 158.6 17.3 -11.2 38.6 59 61 A T E +c 39 0A 4 -21,-0.2 29,-1.4 -2,-0.2 28,-0.6 -0.928 21.1 153.8-133.9 157.5 15.6 -9.1 35.9 60 62 A G E -d 88 0A 0 -21,-1.8 2,-0.3 -2,-0.3 29,-0.2 -0.946 35.8 -96.0-162.7-177.8 16.5 -6.6 33.2 61 63 A I E -d 89 0A 4 27,-2.0 29,-1.7 -2,-0.3 -19,-0.1 -0.865 24.6-127.6-117.0 153.3 15.7 -4.9 29.9 62 64 A Q S S+ 0 0 7 -21,-0.6 2,-0.3 -2,-0.3 31,-0.2 0.559 89.2 15.4 -78.1 -11.3 17.1 -5.8 26.4 63 65 A N - 0 0 29 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.981 59.5-161.2-159.4 151.2 18.2 -2.2 25.6 64 66 A V - 0 0 2 26,-0.4 13,-0.2 -2,-0.3 50,-0.1 -0.988 30.6-103.4-136.9 146.3 18.8 1.1 27.2 65 67 A S - 0 0 1 11,-3.1 13,-0.3 -2,-0.3 48,-0.1 -0.308 7.6-145.1 -69.1 148.8 19.0 4.7 25.7 66 68 A K S S+ 0 0 46 11,-0.1 2,-0.3 47,-0.1 -1,-0.1 0.565 86.7 72.3 -82.0 -13.7 22.2 6.6 25.1 67 69 A F S S- 0 0 40 1,-0.1 11,-0.4 9,-0.0 -2,-0.1 -0.709 78.4-133.8 -99.4 152.8 20.2 9.7 26.1 68 70 A G - 0 0 28 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 -0.005 59.4 -42.0 -80.1-163.4 19.0 10.8 29.5 69 71 A N S S+ 0 0 65 2,-0.1 2,-0.3 7,-0.0 -1,-0.2 -0.387 96.0 78.8 -63.9 142.0 15.4 12.0 30.1 70 72 A G B S-J 258 0C 17 188,-1.8 2,-2.1 -3,-0.1 188,-1.6 -0.982 88.8 -15.7 154.0-161.8 14.1 14.4 27.5 71 73 A S S S+ 0 0 33 -2,-0.3 2,-0.3 186,-0.2 186,-0.1 -0.483 80.3 125.4 -78.7 75.6 12.6 14.6 24.0 72 74 A Y > - 0 0 52 -2,-2.1 3,-1.7 3,-0.1 -2,-0.1 -0.745 49.1-150.7-136.0 85.6 13.4 11.1 22.8 73 75 A T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.324 80.0 15.5 -59.9 130.1 10.3 9.3 21.6 74 76 A G T 3 S+ 0 0 25 1,-0.3 2,-0.3 183,-0.1 -1,-0.2 0.427 98.8 125.9 88.6 2.3 10.5 5.5 21.9 75 77 A E < - 0 0 10 -3,-1.7 2,-0.6 234,-0.1 -1,-0.3 -0.707 49.5-154.3-102.6 144.7 13.4 5.6 24.3 76 78 A V - 0 0 16 -2,-0.3 -11,-3.1 -3,-0.1 182,-0.1 -0.947 24.5-151.3-111.9 106.3 14.0 4.1 27.8 77 79 A S > - 0 0 0 -2,-0.6 4,-1.6 -13,-0.2 -9,-0.2 -0.239 22.8-115.5 -73.0 164.3 16.6 6.1 29.6 78 80 A A H > S+ 0 0 0 -11,-0.4 4,-1.8 -13,-0.3 5,-0.1 0.828 115.7 53.9 -67.3 -35.0 18.9 4.7 32.3 79 81 A E H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.818 106.2 52.0 -71.9 -31.3 17.4 7.0 35.0 80 82 A I H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.916 109.8 49.7 -66.1 -44.6 13.9 5.7 34.2 81 83 A A H <>S+ 0 0 0 -4,-1.6 5,-2.8 1,-0.2 -2,-0.2 0.871 109.3 51.4 -61.9 -40.8 15.1 2.1 34.6 82 84 A K H ><5S+ 0 0 86 -4,-1.8 3,-1.5 3,-0.2 -1,-0.2 0.882 106.2 54.6 -64.4 -40.7 16.7 2.9 37.9 83 85 A D H 3<5S+ 0 0 54 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.850 109.7 47.5 -60.3 -36.6 13.5 4.4 39.2 84 86 A L T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.344 116.2-118.6 -84.8 4.6 11.7 1.2 38.3 85 87 A N T < 5 + 0 0 131 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.794 52.1 166.4 57.7 32.5 14.5 -0.8 40.1 86 88 A I < - 0 0 2 -5,-2.8 -1,-0.2 1,-0.2 -26,-0.1 -0.718 18.6-165.1 -75.1 117.2 15.4 -2.6 36.8 87 89 A E + 0 0 71 -2,-0.6 33,-2.5 -28,-0.6 2,-0.3 0.871 57.4 39.1 -79.2 -40.5 18.8 -4.1 37.8 88 90 A Y E -de 60 120A 4 -29,-1.4 -27,-2.0 31,-0.2 2,-0.3 -0.817 54.6-169.5-119.6 151.6 20.3 -5.1 34.4 89 91 A V E -de 61 121A 0 31,-1.9 33,-3.3 -2,-0.3 2,-0.5 -0.986 18.5-135.3-133.2 147.1 20.5 -3.8 30.9 90 92 A I E - e 0 122A 1 -29,-1.7 2,-0.4 -2,-0.3 -26,-0.4 -0.886 27.4-178.1 -98.1 132.8 21.8 -5.4 27.6 91 93 A I E + e 0 123A 1 31,-2.6 33,-3.3 -2,-0.5 -28,-0.1 -0.995 56.9 12.5-132.7 136.7 24.0 -3.2 25.5 92 94 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.718 72.4 175.7 78.4 23.9 25.6 -3.8 22.1 93 95 A H >> - 0 0 5 -31,-0.2 4,-1.8 1,-0.1 3,-0.9 -0.352 39.4-119.4 -63.5 141.4 23.7 -6.8 21.0 94 96 A F H 3> S+ 0 0 29 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.859 111.6 54.5 -46.1 -48.9 24.4 -8.1 17.5 95 97 A E H 3> S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.809 109.2 47.8 -62.0 -33.2 20.8 -7.7 16.3 96 98 A R H <> S+ 0 0 17 -3,-0.9 6,-1.9 2,-0.2 4,-0.8 0.803 113.7 47.5 -76.8 -31.4 20.8 -4.0 17.4 97 99 A R H < S+ 0 0 45 -4,-1.8 4,-0.3 4,-0.2 -2,-0.2 0.860 119.6 40.6 -71.0 -37.7 24.2 -3.5 15.6 98 100 A K H < S+ 0 0 122 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.920 130.4 20.6 -78.4 -48.9 22.9 -5.2 12.5 99 101 A Y H < S+ 0 0 68 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.713 127.4 42.2 -97.1 -24.4 19.4 -3.9 12.2 100 102 A F S < S- 0 0 44 -4,-0.8 -1,-0.1 -5,-0.4 -3,-0.1 0.067 101.6-111.5-122.6 25.1 19.3 -0.7 14.2 101 103 A H + 0 0 105 -4,-0.3 2,-0.5 1,-0.2 -4,-0.2 0.704 53.5 167.2 57.9 26.2 22.6 1.1 13.3 102 104 A E - 0 0 12 -6,-1.9 -1,-0.2 -9,-0.1 2,-0.2 -0.622 13.7-171.2 -77.1 119.9 24.0 0.6 16.8 103 105 A T > - 0 0 69 -2,-0.5 4,-2.0 1,-0.1 3,-0.1 -0.513 40.8 -98.1-106.2 172.6 27.8 1.5 16.7 104 106 A D H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.797 125.8 54.2 -58.6 -30.7 30.7 1.1 19.2 105 107 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.876 105.6 50.8 -71.7 -39.9 30.1 4.8 20.1 106 108 A D H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.893 107.6 56.9 -59.6 -41.0 26.4 4.1 20.9 107 109 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.908 107.5 44.3 -57.9 -49.6 27.6 1.3 23.1 108 110 A R H X S+ 0 0 54 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.864 111.9 52.4 -68.0 -36.8 29.9 3.4 25.3 109 111 A E H X S+ 0 0 70 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.830 111.2 48.0 -67.8 -33.5 27.3 6.2 25.7 110 112 A K H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.845 113.4 48.3 -70.0 -37.9 24.8 3.6 26.8 111 113 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.929 110.9 49.2 -68.2 -48.6 27.3 2.2 29.2 112 114 A Q H X S+ 0 0 107 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.897 113.6 47.6 -57.5 -43.7 28.3 5.6 30.7 113 115 A A H X S+ 0 0 17 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.901 113.8 47.1 -63.4 -43.6 24.6 6.4 31.1 114 116 A S H <>S+ 0 0 0 -4,-2.1 5,-3.3 1,-0.2 -2,-0.2 0.865 112.9 49.1 -66.7 -38.7 23.9 3.0 32.8 115 117 A L H ><5S+ 0 0 20 -4,-2.7 3,-1.2 3,-0.2 -2,-0.2 0.860 109.2 49.6 -72.1 -38.1 26.9 3.2 35.1 116 118 A K H 3<5S+ 0 0 156 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.611 111.1 51.3 -79.4 -12.0 26.2 6.8 36.4 117 119 A N T 3<5S- 0 0 27 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.101 119.9-113.6-103.0 18.2 22.6 5.7 37.1 118 120 A N T < 5 + 0 0 119 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.810 65.4 147.2 51.5 41.9 24.0 2.7 39.0 119 121 A L < - 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