==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 27-FEB-12 4DXG . COMPND 2 MOLECULE: STAPHYLOCOCCAL ENTEROTOXIN-LIKE TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.J.HERMANS,H.M.BAKER,R.J.LANGLEY,E.N.BAKER,J.F.FRASER . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 26.8 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 . 21 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 11.3 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+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 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 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 PARALLEL BRIDGES PER LADDER . 1 0 2 1 1 0 1 1 0 1 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 1 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 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 7 A E 0 0 113 0, 0.0 2,-0.4 0, 0.0 147,-0.2 0.000 360.0 360.0 360.0 -39.0 -8.4 -0.7 3.4 2 8 A I - 0 0 100 145,-0.1 145,-0.2 146,-0.1 146,-0.2 -0.938 360.0-154.3-134.7 108.8 -11.0 -0.2 6.1 3 9 A N > - 0 0 72 144,-2.1 3,-1.6 -2,-0.4 146,-0.0 -0.741 11.5-148.5 -90.8 123.8 -14.4 -1.9 5.7 4 10 A P G > S+ 0 0 97 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.702 92.7 77.0 -61.7 -20.5 -17.5 -0.4 7.4 5 11 A K G 3 S+ 0 0 179 1,-0.2 3,-0.2 2,-0.1 -2,-0.0 0.829 103.0 38.7 -51.3 -35.3 -19.0 -3.9 7.8 6 12 A F G <> S+ 0 0 25 -3,-1.6 4,-2.1 140,-0.2 3,-0.4 0.118 80.4 117.5-101.5 17.6 -16.5 -4.4 10.7 7 13 A K H <> S+ 0 0 143 -3,-1.6 4,-1.7 1,-0.2 5,-0.2 0.824 73.6 51.5 -63.1 -33.7 -16.7 -0.9 12.3 8 14 A D H > S+ 0 0 123 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.880 111.8 45.6 -68.3 -38.7 -18.0 -2.1 15.6 9 15 A L H > S+ 0 0 24 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.900 113.2 49.2 -73.0 -42.5 -15.3 -4.7 16.2 10 16 A R H < S+ 0 0 79 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.828 114.2 46.4 -66.5 -33.9 -12.5 -2.5 15.2 11 17 A A H >< S+ 0 0 57 -4,-1.7 3,-0.5 -5,-0.3 4,-0.5 0.891 113.4 48.5 -75.4 -37.3 -13.8 0.3 17.5 12 18 A Y H >< S+ 0 0 21 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.975 115.0 44.6 -63.2 -49.3 -14.3 -2.2 20.4 13 19 A Y T 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.369 109.2 54.9 -86.9 6.4 -10.8 -3.7 20.0 14 20 A T T < S+ 0 0 58 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.398 81.4 118.1-108.2 -0.1 -9.0 -0.4 19.5 15 21 A K S < S- 0 0 58 -3,-1.4 -3,-0.0 -4,-0.5 122,-0.0 -0.264 75.0-101.2 -56.1 146.2 -10.4 0.9 22.8 16 22 A P - 0 0 104 0, 0.0 56,-0.4 0, 0.0 2,-0.3 -0.349 37.5-149.9 -69.9 156.8 -7.8 1.8 25.4 17 23 A S - 0 0 34 54,-0.1 2,-0.3 -3,-0.1 54,-0.2 -0.916 5.2-151.5-126.5 159.2 -7.2 -0.7 28.3 18 24 A L E -A 70 0A 65 52,-2.6 52,-3.3 -2,-0.3 2,-0.5 -0.955 5.3-151.9-127.0 140.0 -6.0 -0.4 31.9 19 25 A E E -A 69 0A 82 -2,-0.3 2,-0.6 50,-0.2 50,-0.2 -0.971 5.9-167.6-118.1 127.3 -4.1 -2.9 34.1 20 26 A F E -A 68 0A 21 48,-2.7 48,-2.2 -2,-0.5 2,-0.3 -0.938 13.8-170.8-114.4 114.5 -4.4 -3.0 37.9 21 27 A K E + 0 0 73 -2,-0.6 46,-0.2 46,-0.2 3,-0.1 -0.749 58.1 1.7-112.3 153.6 -1.9 -5.1 39.7 22 28 A N E S+ 0 0 115 -2,-0.3 -1,-0.2 1,-0.1 45,-0.2 0.872 96.0 140.8 45.6 52.4 -1.4 -6.3 43.3 23 29 A E E -A 66 0A 51 43,-3.0 43,-1.8 -3,-0.3 42,-0.5 -0.356 50.5-110.5-119.9-176.3 -4.7 -4.6 44.3 24 30 A I E -A 64 0A 53 40,-0.2 16,-0.5 41,-0.2 2,-0.4 -0.968 18.0-151.4-127.1 142.4 -7.7 -5.2 46.5 25 31 A G E -A 63 0A 0 38,-3.5 38,-3.5 -2,-0.4 2,-0.5 -0.946 4.8-163.6-117.3 134.8 -11.3 -6.0 45.5 26 32 A I E -AB 62 38A 62 12,-2.5 12,-3.1 -2,-0.4 2,-0.5 -0.970 4.9-169.5-115.5 123.3 -14.3 -5.1 47.6 27 33 A I E -A 61 0A 3 34,-3.0 34,-3.5 -2,-0.5 2,-0.2 -0.982 9.8-170.0-118.3 128.1 -17.6 -6.9 46.9 28 34 A L - 0 0 106 8,-0.5 8,-0.2 -2,-0.5 3,-0.1 -0.452 38.2 -55.9-106.7 178.5 -20.8 -5.6 48.6 29 35 A K - 0 0 170 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.277 69.2 -93.7 -59.1 129.8 -24.4 -6.7 49.0 30 36 A K + 0 0 116 1,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.178 50.3 167.5 -49.3 128.4 -26.2 -7.3 45.6 31 37 A W + 0 0 146 3,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.598 60.5 14.0-119.2 -24.3 -28.1 -4.1 44.6 32 38 A T S S- 0 0 42 2,-0.7 45,-0.0 0, 0.0 0, 0.0 -0.504 106.4 -57.2-131.0-158.1 -29.0 -4.8 40.9 33 39 A T S S+ 0 0 101 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.855 117.5 26.1 -58.1 -40.4 -29.2 -7.7 38.3 34 40 A I S S- 0 0 39 17,-0.0 -2,-0.7 21,-0.0 -3,-0.5 -0.716 79.9-112.0-119.8 177.6 -25.5 -8.5 38.8 35 41 A R - 0 0 38 15,-0.5 15,-3.1 -2,-0.2 2,-0.4 -0.821 28.1-152.7-107.8 145.8 -22.7 -8.3 41.4 36 42 A F E - C 0 49A 7 -2,-0.3 2,-0.5 13,-0.2 -8,-0.5 -0.918 13.4-139.6-122.2 140.9 -19.6 -6.0 41.1 37 43 A M E - C 0 48A 0 11,-2.7 11,-3.1 -2,-0.4 2,-0.4 -0.888 25.7-145.4 -89.8 129.3 -16.1 -6.1 42.4 38 44 A N E -BC 26 47A 14 -12,-3.1 -12,-2.5 -2,-0.5 2,-0.4 -0.838 18.5-177.2 -95.2 132.3 -15.0 -2.6 43.4 39 45 A V E - C 0 46A 0 7,-1.7 7,-3.5 -2,-0.4 -14,-0.1 -0.997 12.6-167.0-129.7 136.5 -11.4 -1.7 42.9 40 46 A V + 0 0 69 -16,-0.5 5,-0.2 -2,-0.4 -2,-0.0 -0.753 27.3 148.3-123.9 80.5 -9.9 1.7 43.8 41 47 A P S S- 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.800 76.9 -7.3 -82.3 -26.3 -6.4 2.1 42.2 42 48 A D S S- 0 0 70 2,-0.7 0, 0.0 0, 0.0 0, 0.0 -0.492 116.0 -39.8-145.2-153.1 -6.6 5.9 41.8 43 49 A Y S S+ 0 0 238 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.499 115.3 74.6 -67.3 -1.3 -9.2 8.7 42.4 44 50 A F S S- 0 0 81 2,-0.0 -2,-0.7 0, 0.0 2,-0.5 -0.829 72.6-135.9-111.5 153.8 -11.9 6.4 40.9 45 51 A I - 0 0 95 -2,-0.3 2,-0.5 -5,-0.2 36,-0.3 -0.916 26.5-151.2 -93.7 123.9 -13.9 3.4 42.0 46 52 A Y E -C 39 0A 9 -7,-3.5 -7,-1.7 -2,-0.5 2,-0.7 -0.870 3.0-145.1-102.6 133.5 -14.1 0.8 39.2 47 53 A K E -Cd 38 82A 47 34,-2.9 36,-1.9 -2,-0.5 2,-0.8 -0.840 13.4-166.0 -94.8 111.6 -17.0 -1.6 39.0 48 54 A I E -Cd 37 83A 0 -11,-3.1 -11,-2.7 -2,-0.7 36,-0.2 -0.872 20.0-130.8-105.8 105.0 -16.0 -5.0 37.7 49 55 A A E -Cd 36 84A 0 34,-2.3 36,-1.6 -2,-0.8 2,-1.2 -0.300 10.3-138.6 -54.8 120.9 -18.9 -7.1 36.6 50 56 A L + 0 0 3 -15,-3.1 -15,-0.5 34,-0.1 2,-0.2 -0.725 42.9 158.3 -83.5 94.1 -18.8 -10.6 38.1 51 57 A V > + 0 0 10 -2,-1.2 3,-1.9 123,-0.1 4,-0.4 -0.561 45.7 2.4-109.3 176.1 -20.0 -12.6 35.0 52 58 A G T > S- 0 0 39 1,-0.3 3,-1.2 -2,-0.2 4,-0.3 -0.119 134.1 -10.2 48.9-134.4 -19.5 -16.3 34.1 53 59 A K T 3> S+ 0 0 156 122,-0.5 4,-1.2 1,-0.2 -1,-0.3 0.552 120.5 80.8 -76.7 -10.6 -17.6 -18.2 36.8 54 60 A D H <> S+ 0 0 1 -3,-1.9 4,-1.5 121,-0.2 -1,-0.2 0.679 81.0 68.7 -63.4 -24.8 -16.7 -15.1 38.8 55 61 A D H <4 S+ 0 0 71 -3,-1.2 3,-0.2 -4,-0.4 -1,-0.2 0.986 108.1 32.3 -63.6 -55.2 -20.1 -15.1 40.3 56 62 A K H 4 S+ 0 0 210 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.749 115.7 61.8 -64.2 -28.3 -19.6 -18.3 42.4 57 63 A K H < S+ 0 0 103 -4,-1.2 2,-0.7 1,-0.2 -1,-0.2 0.870 100.1 54.2 -73.2 -35.7 -15.9 -17.6 42.9 58 64 A Y < - 0 0 22 -4,-1.5 -1,-0.2 -3,-0.2 3,-0.1 -0.876 64.7-170.2-113.1 108.3 -16.2 -14.3 44.8 59 65 A G - 0 0 43 -2,-0.7 -32,-0.1 1,-0.2 -3,-0.0 -0.322 44.6 -78.2 -74.6 168.8 -18.4 -14.0 47.9 60 66 A E S S+ 0 0 131 -2,-0.1 2,-0.3 -34,-0.1 -32,-0.2 -0.212 94.2 52.4 -64.2 162.7 -19.1 -10.6 49.4 61 67 A G E S-A 27 0A 33 -34,-3.5 -34,-3.0 -3,-0.1 2,-0.4 -0.742 95.4 -23.6 105.6-156.1 -16.3 -8.9 51.5 62 68 A V E -A 26 0A 99 -2,-0.3 2,-0.5 -36,-0.2 -36,-0.2 -0.805 43.3-171.1-111.1 129.5 -12.6 -8.3 50.8 63 69 A H E -A 25 0A 42 -38,-3.5 -38,-3.5 -2,-0.4 2,-0.2 -0.975 10.3-166.9-123.1 119.6 -10.3 -10.0 48.3 64 70 A R E +A 24 0A 167 -2,-0.5 -40,-0.2 -40,-0.2 26,-0.1 -0.509 63.4 41.8 -97.7 165.5 -6.6 -9.2 48.4 65 71 A N E S+ 0 0 110 -42,-0.5 25,-1.4 1,-0.2 2,-0.4 0.984 79.4 153.3 60.4 62.1 -4.0 -10.1 45.8 66 72 A V E -AE 23 89A 4 -43,-1.8 -43,-3.0 23,-0.3 2,-0.4 -0.975 30.1-168.6-126.7 130.5 -6.2 -9.3 42.8 67 73 A D E - E 0 88A 4 21,-2.7 21,-3.1 -2,-0.4 2,-0.4 -0.934 9.9-165.3-108.1 147.3 -5.2 -8.2 39.4 68 74 A V E -AE 20 87A 3 -48,-2.2 -48,-2.7 -2,-0.4 2,-0.6 -0.999 14.7-150.6-132.4 132.5 -7.8 -6.8 37.0 69 75 A F E -A 19 0A 1 17,-2.4 2,-0.4 -2,-0.4 -50,-0.2 -0.927 29.6-157.2 -98.6 119.4 -7.5 -6.3 33.2 70 76 A V E +A 18 0A 0 -52,-3.3 -52,-2.6 -2,-0.6 2,-0.4 -0.830 30.5 169.7-110.6 133.3 -9.8 -3.3 32.4 71 77 A V - 0 0 0 -2,-0.4 13,-0.4 -54,-0.2 2,-0.2 -0.927 34.6-137.3-134.0 104.3 -11.6 -2.2 29.2 72 78 A L - 0 0 51 -56,-0.4 2,-0.3 -2,-0.4 11,-0.2 -0.474 30.0-177.6 -71.6 137.3 -14.1 0.5 30.2 73 79 A E - 0 0 34 9,-2.2 9,-0.3 -2,-0.2 -1,-0.0 -0.923 32.9-101.1-135.4 151.2 -17.4 0.2 28.4 74 80 A E + 0 0 173 -2,-0.3 2,-0.3 7,-0.1 6,-0.0 -0.252 51.4 176.3 -51.8 157.6 -20.9 1.8 28.0 75 81 A N > - 0 0 34 4,-0.1 3,-0.5 8,-0.0 4,-0.1 -0.983 43.1-119.3-167.6 164.7 -23.4 -0.0 30.1 76 82 A N T 3 S+ 0 0 170 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.000 95.5 76.9-103.1 27.5 -27.0 -0.1 31.3 77 83 A Y T 3 S- 0 0 58 2,-0.1 -1,-0.2 -45,-0.0 0, 0.0 0.318 102.5-113.2-117.0 4.0 -26.4 0.3 35.0 78 84 A N < + 0 0 165 -3,-0.5 2,-0.4 1,-0.2 -2,-0.1 0.850 64.5 152.3 71.3 31.9 -25.6 4.1 35.1 79 85 A L - 0 0 31 1,-0.1 3,-0.2 -4,-0.1 -1,-0.2 -0.848 40.6-156.6-103.9 133.7 -21.9 3.4 36.1 80 86 A E S S+ 0 0 154 -2,-0.4 2,-0.6 1,-0.3 -1,-0.1 0.886 88.8 30.8 -72.2 -42.4 -19.1 5.8 35.2 81 87 A K S S+ 0 0 46 -36,-0.3 -34,-2.9 -9,-0.1 2,-0.4 -0.897 81.5 153.5-126.8 98.2 -16.2 3.3 35.4 82 88 A Y E +d 47 0A 14 -2,-0.6 -9,-2.2 -9,-0.3 2,-0.3 -0.983 11.1 163.4-135.0 138.6 -17.4 -0.2 34.4 83 89 A S E -d 48 0A 0 -36,-1.9 -34,-2.3 -2,-0.4 2,-0.5 -0.951 31.3-121.6-149.6 161.5 -15.7 -3.2 32.8 84 90 A V E -d 49 0A 1 -13,-0.4 -34,-0.1 -2,-0.3 -36,-0.1 -0.928 61.2 -43.0-115.4 116.0 -16.5 -6.9 32.5 85 91 A G + 0 0 0 -36,-1.6 93,-0.3 -2,-0.5 -16,-0.1 -0.169 67.5 127.6 74.0-159.4 -14.3 -9.7 33.9 86 92 A G + 0 0 0 91,-2.5 -17,-2.4 1,-0.3 2,-0.5 0.680 37.6 146.1 77.8 19.5 -10.5 -10.0 33.7 87 93 A I E +E 68 0A 0 -19,-0.2 -1,-0.3 90,-0.2 2,-0.3 -0.790 19.3 162.4 -88.5 129.6 -10.0 -10.5 37.5 88 94 A T E -E 67 0A 2 -21,-3.1 -21,-2.7 -2,-0.5 2,-0.3 -0.876 43.6 -86.9-140.6 170.7 -7.1 -12.8 38.4 89 95 A K E -E 66 0A 147 -2,-0.3 36,-0.4 -23,-0.2 -23,-0.3 -0.667 51.9-109.6 -79.8 132.4 -4.8 -13.8 41.3 90 96 A S - 0 0 7 -25,-1.4 -1,-0.1 -2,-0.3 -23,-0.1 -0.253 48.9 -78.4 -59.1 151.0 -1.8 -11.5 41.6 91 97 A N - 0 0 51 1,-0.2 -1,-0.1 31,-0.1 3,-0.1 -0.167 34.2-161.3 -49.7 137.7 1.6 -13.0 40.7 92 98 A S S S- 0 0 90 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.341 76.3 -5.0 -96.3 7.9 3.0 -15.2 43.5 93 99 A K S S- 0 0 129 2,-0.0 31,-0.2 0, 0.0 2,-0.1 -0.940 104.5 -45.9 179.5 174.8 6.6 -15.0 42.1 94 100 A K - 0 0 204 -2,-0.3 2,-0.4 -3,-0.1 29,-0.1 -0.402 50.5-171.3 -67.5 137.1 8.4 -13.5 39.1 95 101 A V + 0 0 18 27,-0.3 2,-0.1 -2,-0.1 29,-0.1 -0.996 22.7 150.1-130.3 128.6 6.8 -14.2 35.7 96 102 A D + 0 0 112 -2,-0.4 2,-0.4 27,-0.1 26,-0.2 -0.617 22.7 152.7-153.4 87.5 8.5 -13.4 32.4 97 103 A H E -F 121 0B 50 24,-2.7 24,-3.7 -2,-0.1 2,-0.4 -0.912 23.2-165.0-122.2 134.7 7.3 -15.9 29.8 98 104 A K E -F 120 0B 130 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.990 4.2-161.5-121.9 142.3 7.0 -15.4 26.0 99 105 A A E -F 119 0B 2 20,-2.2 20,-3.3 -2,-0.4 2,-0.3 -0.914 24.9-108.9-119.4 148.7 5.0 -17.6 23.6 100 106 A G E -Fg 118 188B 31 87,-1.0 89,-2.9 -2,-0.3 2,-0.5 -0.558 26.8-157.3 -79.0 135.8 5.4 -17.8 19.8 101 107 A V E -Fg 117 189B 7 16,-2.1 16,-1.5 -2,-0.3 2,-0.5 -0.948 6.7-170.5-112.5 132.2 2.7 -16.4 17.6 102 108 A R E -Fg 116 190B 154 87,-2.5 89,-2.9 -2,-0.5 2,-0.4 -0.993 9.6-168.0-118.8 126.3 2.2 -17.6 14.0 103 109 A I E -Fg 115 191B 0 12,-2.0 12,-2.8 -2,-0.5 2,-0.4 -0.979 7.9-175.3-120.9 126.3 -0.2 -15.6 12.0 104 110 A T E -Fg 114 192B 28 87,-2.2 89,-2.6 -2,-0.4 2,-0.4 -0.949 9.1-171.4-116.5 133.1 -1.7 -16.6 8.6 105 111 A K E -Fg 113 193B 26 8,-2.7 8,-2.6 -2,-0.4 2,-0.5 -0.966 12.1-176.0-136.4 128.3 -3.9 -14.2 6.6 106 112 A E E -F 112 0B 88 87,-2.9 6,-0.2 -2,-0.4 2,-0.0 -0.956 12.3-159.5-118.0 116.3 -6.0 -14.6 3.5 107 113 A D > - 0 0 32 4,-1.8 3,-1.2 -2,-0.5 42,-0.1 -0.231 39.6 -94.9 -79.2 179.6 -7.8 -11.6 1.9 108 114 A N T 3 S+ 0 0 135 1,-0.2 -1,-0.1 40,-0.1 41,-0.0 0.822 124.2 59.2 -63.5 -32.3 -10.8 -11.8 -0.5 109 115 A K T 3 S- 0 0 174 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.519 120.0-106.2 -72.9 -12.1 -8.3 -11.5 -3.5 110 116 A G < + 0 0 38 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.334 68.0 148.5 99.8 -2.4 -6.4 -14.7 -2.4 111 117 A T - 0 0 90 1,-0.1 -4,-1.8 -5,-0.0 2,-0.6 -0.466 32.1-157.1 -68.4 131.1 -3.3 -13.1 -1.1 112 118 A I E -F 106 0B 88 -6,-0.2 2,-0.2 -2,-0.2 -6,-0.2 -0.905 9.4-171.8-120.7 102.6 -1.8 -15.1 1.7 113 119 A S E -F 105 0B 47 -8,-2.6 -8,-2.7 -2,-0.6 2,-0.4 -0.636 7.2-158.2 -92.0 149.8 0.5 -13.4 4.3 114 120 A H E +F 104 0B 137 -2,-0.2 -10,-0.2 -10,-0.2 2,-0.2 -0.917 16.6 171.6-132.7 109.7 2.5 -15.1 7.0 115 121 A D E -F 103 0B 69 -12,-2.8 -12,-2.0 -2,-0.4 2,-0.3 -0.568 13.7-160.9-104.6 168.7 3.6 -13.3 10.0 116 122 A V E +F 102 0B 107 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.2 -0.894 15.6 164.8-138.5 170.5 5.3 -14.4 13.3 117 123 A S E -F 101 0B 39 -16,-1.5 -16,-2.1 -2,-0.3 2,-0.4 -0.923 30.9-121.9-172.0 174.7 5.5 -12.6 16.6 118 124 A E E -F 100 0B 122 -2,-0.3 2,-0.6 -18,-0.2 -18,-0.2 -0.995 21.4-145.7-139.3 137.6 6.3 -13.3 20.2 119 125 A F E -F 99 0B 15 -20,-3.3 -20,-2.2 -2,-0.4 2,-0.5 -0.918 8.0-142.6-118.8 123.2 3.9 -12.6 22.9 120 126 A K E -F 98 0B 127 -2,-0.6 2,-0.5 -22,-0.2 -22,-0.2 -0.670 14.3-171.8 -90.1 122.3 5.0 -11.5 26.3 121 127 A I E +F 97 0B 2 -24,-3.7 -24,-2.7 -2,-0.5 5,-0.0 -0.976 12.7 170.4-110.6 128.0 3.1 -12.8 29.4 122 128 A T + 0 0 63 -2,-0.5 2,-0.4 -26,-0.2 -27,-0.3 0.205 55.1 81.8-120.3 12.4 4.0 -11.3 32.6 123 129 A K - 0 0 5 1,-0.1 60,-0.3 -26,-0.1 3,-0.1 -0.972 63.9-148.4-125.9 130.9 1.2 -12.8 34.8 124 130 A E S S+ 0 0 41 -2,-0.4 59,-1.4 -31,-0.2 60,-0.4 0.805 98.1 32.9 -60.5 -33.7 1.1 -16.3 36.4 125 131 A Q E S-J 182 0C 49 -36,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.993 78.1-178.1-127.8 130.0 -2.7 -16.2 35.9 126 132 A I E -J 181 0C 3 55,-3.1 55,-2.5 -2,-0.4 2,-0.2 -0.980 21.7-126.5-134.6 141.0 -4.2 -14.5 32.9 127 133 A S E >> -J 180 0C 0 -2,-0.4 4,-1.7 53,-0.2 3,-0.7 -0.500 19.5-128.4 -80.8 148.6 -7.8 -13.9 31.8 128 134 A L H 3> S+ 0 0 1 51,-2.3 4,-3.2 48,-0.4 5,-0.3 0.875 110.0 66.6 -61.5 -28.0 -9.0 -14.9 28.4 129 135 A K H 3> S+ 0 0 3 50,-0.4 4,-2.5 47,-0.3 -1,-0.2 0.865 103.1 43.7 -54.2 -41.5 -10.3 -11.2 28.3 130 136 A E H <> S+ 0 0 9 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.886 115.6 46.3 -78.3 -41.1 -6.8 -9.9 28.3 131 137 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.947 116.0 45.6 -67.1 -50.4 -5.4 -12.3 25.8 132 138 A D H X S+ 0 0 2 -4,-3.2 4,-2.2 2,-0.2 5,-0.2 0.908 117.0 45.2 -58.0 -49.9 -8.3 -11.8 23.4 133 139 A F H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.940 116.6 42.3 -65.5 -48.9 -8.2 -8.1 23.8 134 140 A K H X S+ 0 0 56 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.856 115.6 49.1 -68.1 -33.6 -4.4 -7.7 23.5 135 141 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.920 113.6 46.1 -74.6 -38.4 -4.1 -10.1 20.6 136 142 A R H X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.3 5,-0.2 0.925 109.8 53.1 -68.0 -41.2 -6.9 -8.6 18.6 137 143 A K H X S+ 0 0 40 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.873 110.7 48.8 -62.9 -33.3 -5.7 -5.1 19.1 138 144 A Q H X S+ 0 0 44 -4,-1.4 4,-3.3 2,-0.2 5,-0.5 0.888 108.6 52.6 -68.7 -41.7 -2.3 -6.1 17.8 139 145 A L H X S+ 0 0 4 -4,-1.8 6,-2.2 1,-0.2 4,-1.1 0.765 110.4 48.1 -70.3 -29.1 -3.8 -7.8 14.7 140 146 A I H X S+ 0 0 4 -4,-1.8 4,-0.7 4,-0.3 -1,-0.2 0.878 115.4 45.5 -72.2 -40.7 -5.7 -4.7 13.9 141 147 A E H < S+ 0 0 133 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.942 130.4 19.3 -72.7 -48.2 -2.5 -2.6 14.3 142 148 A K H < S+ 0 0 157 -4,-3.3 -3,-0.2 1,-0.1 -2,-0.2 0.754 134.1 32.0 -95.2 -30.6 -0.1 -4.8 12.4 143 149 A N H < S- 0 0 12 -4,-1.1 -3,-0.2 -5,-0.5 -2,-0.1 0.247 99.1-114.3-120.0 15.4 -2.2 -7.1 10.2 144 150 A N >X> + 0 0 46 -4,-0.7 3,-2.5 1,-0.2 4,-1.0 0.708 45.5 177.8 56.5 25.4 -5.2 -5.0 9.3 145 151 A L B 345S+k 149 0D 1 -6,-2.2 5,-0.2 1,-0.3 -1,-0.2 -0.321 74.5 17.2 -49.7 139.4 -7.8 -7.2 11.1 146 152 A Y T 345S+ 0 0 1 3,-2.6 -1,-0.3 1,-0.1 -140,-0.2 0.473 116.3 80.7 64.0 7.9 -11.2 -5.5 10.8 147 153 A G T <45S- 0 0 0 -3,-2.5 -144,-2.1 2,-0.6 -141,-0.2 0.760 117.3 -8.8 -94.5 -83.3 -9.8 -3.4 7.9 148 154 A N T <5S+ 0 0 49 -4,-1.0 2,-0.3 1,-0.2 -40,-0.1 0.866 141.2 26.3 -88.7 -35.7 -9.9 -5.6 4.8 149 155 A V B < +k 145 0D 12 -5,-0.7 -3,-2.6 -42,-0.1 -2,-0.6 -0.954 55.6 179.3-127.6 149.2 -10.8 -8.9 6.6 150 156 A G + 0 0 4 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.094 53.0 63.2-146.0 40.1 -12.7 -9.5 9.8 151 157 A S + 0 0 41 18,-0.1 43,-1.3 2,-0.0 2,-0.3 -0.925 50.5 84.0-148.2-175.9 -13.1 -13.2 10.6 152 158 A G E -H 193 0B 8 -2,-0.3 16,-2.6 41,-0.3 17,-0.5 -0.855 65.5 -77.0 120.6-157.6 -11.1 -16.3 11.4 153 159 A K E -HI 192 167B 86 39,-2.4 39,-3.6 -2,-0.3 2,-0.5 -0.988 11.3-144.4-145.9 153.5 -9.7 -17.5 14.7 154 160 A I E -HI 191 166B 0 12,-2.1 12,-2.8 -2,-0.3 2,-0.5 -0.977 22.1-166.1-104.0 130.0 -7.0 -17.2 17.5 155 161 A V E -HI 190 165B 18 35,-3.0 35,-2.7 -2,-0.5 2,-0.5 -0.949 6.6-158.9-118.7 111.6 -6.0 -20.5 19.1 156 162 A I E -HI 189 164B 0 8,-2.7 8,-1.6 -2,-0.5 2,-0.4 -0.758 16.7-156.1 -82.3 122.9 -4.0 -20.3 22.4 157 163 A K E -HI 188 163B 78 31,-3.3 30,-2.9 -2,-0.5 31,-1.5 -0.907 4.5-147.4-111.4 133.6 -2.3 -23.7 22.7 158 164 A M E > -H 186 0B 17 4,-2.5 3,-3.2 -2,-0.4 28,-0.2 -0.704 26.7-112.2-102.8 148.2 -1.2 -25.0 26.1 159 165 A K T 3 S+ 0 0 159 26,-2.7 27,-0.1 1,-0.3 -1,-0.1 0.792 119.3 51.4 -34.2 -43.1 1.7 -27.2 27.4 160 166 A N T 3 S- 0 0 132 25,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.425 123.0-102.5 -83.0 1.9 -0.8 -30.0 28.1 161 167 A G S < S+ 0 0 67 -3,-3.2 -2,-0.1 1,-0.3 -1,-0.0 0.221 80.8 129.9 92.9 -16.7 -2.5 -29.9 24.7 162 168 A G - 0 0 30 -5,-0.1 -4,-2.5 1,-0.0 -1,-0.3 -0.111 38.5-163.1 -60.9 170.8 -5.5 -27.9 25.8 163 169 A K E -I 157 0B 131 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.976 20.0-147.8-155.5 163.2 -6.6 -24.8 23.8 164 170 A Y E -I 156 0B 81 -8,-1.6 -8,-2.7 -2,-0.3 2,-0.4 -0.981 19.7-157.2-142.6 122.2 -8.7 -21.6 23.9 165 171 A T E -I 155 0B 31 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.878 8.8-166.1-112.5 130.9 -10.3 -20.3 20.7 166 172 A F E -I 154 0B 0 -12,-2.8 -12,-2.1 -2,-0.4 2,-0.5 -0.964 16.9-143.9-112.3 116.4 -11.4 -16.8 19.9 167 173 A E E > -I 153 0B 67 -2,-0.5 3,-0.8 -14,-0.2 -14,-0.2 -0.672 7.1-152.0 -79.9 129.7 -13.6 -16.4 16.9 168 174 A L T 3 S+ 0 0 0 -16,-2.6 -15,-0.1 -2,-0.5 -1,-0.1 0.615 81.9 73.4 -82.1 -16.9 -12.8 -13.1 15.2 169 175 A H T 3 S+ 0 0 95 -17,-0.5 2,-0.3 2,-0.1 -1,-0.2 0.594 107.9 23.1 -78.2 -8.2 -16.1 -12.3 13.5 170 176 A K S < S- 0 0 88 -3,-0.8 3,-0.1 -161,-0.0 -1,-0.0 -0.949 94.1 -80.5-146.7 165.5 -17.7 -11.3 16.9 171 177 A K - 0 0 85 -2,-0.3 -4,-0.1 1,-0.1 2,-0.1 -0.131 59.9 -87.1 -58.1 156.9 -16.7 -10.1 20.5 172 178 A L - 0 0 4 1,-0.1 2,-0.2 -43,-0.1 -1,-0.1 -0.459 57.5 -98.5 -64.2 140.3 -15.5 -12.6 23.0 173 179 A Q >> - 0 0 65 1,-0.1 3,-1.7 -2,-0.1 4,-0.7 -0.509 32.3-124.1 -69.4 135.8 -18.6 -13.9 24.7 174 180 A E G >4 S+ 0 0 110 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.785 107.1 59.5 -53.5 -34.8 -18.9 -12.1 28.0 175 181 A N G >4 S+ 0 0 88 1,-0.2 3,-1.2 2,-0.2 -122,-0.5 0.850 101.2 57.3 -62.2 -30.6 -19.0 -15.1 30.2 176 182 A R G X4 S+ 0 0 39 -3,-1.7 3,-1.7 1,-0.3 -48,-0.4 0.702 85.4 78.3 -78.1 -20.9 -15.6 -16.1 28.9 177 183 A M G << S+ 0 0 4 -3,-0.8 -91,-2.5 -4,-0.7 -48,-0.3 0.618 94.6 51.7 -59.2 -10.6 -14.1 -12.7 30.0 178 184 A A G < S+ 0 0 4 -3,-1.2 -1,-0.3 -93,-0.3 -2,-0.2 0.496 84.8 108.9-102.5 -11.6 -14.1 -14.3 33.5 179 185 A D < - 0 0 39 -3,-1.7 -51,-2.3 -4,-0.1 -50,-0.4 -0.448 52.1-164.5 -71.3 138.1 -12.2 -17.4 32.4 180 186 A V E -J 127 0C 38 -53,-0.2 2,-0.3 -2,-0.2 -53,-0.2 -0.933 9.9-178.8-128.2 153.2 -8.7 -17.7 33.7 181 187 A I E -J 126 0C 10 -55,-2.5 -55,-3.1 -2,-0.3 2,-0.7 -0.934 39.7 -88.9-142.7 162.0 -5.6 -19.8 32.7 182 188 A D E > -J 125 0C 63 -2,-0.3 3,-1.2 -57,-0.2 -57,-0.2 -0.665 33.5-157.3 -76.6 115.9 -2.0 -20.3 33.8 183 189 A G G > S+ 0 0 0 -59,-1.4 3,-2.1 -2,-0.7 -1,-0.2 0.889 87.8 58.4 -59.3 -42.8 0.1 -17.9 31.7 184 190 A T G 3 S+ 0 0 46 -60,-0.4 -1,-0.2 1,-0.3 -86,-0.1 0.499 99.9 60.4 -77.6 3.0 3.3 -19.8 31.9 185 191 A N G < S+ 0 0 40 -3,-1.2 -26,-2.7 -61,-0.2 2,-0.6 0.292 73.4 112.4-103.0 2.1 1.6 -22.9 30.3 186 192 A I E < + H 0 158B 0 -3,-2.1 -28,-0.2 -28,-0.2 3,-0.1 -0.720 42.2 177.5 -75.8 121.0 0.8 -21.0 27.1 187 193 A D E - 0 0 99 -30,-2.9 -87,-1.0 -2,-0.6 2,-0.3 0.901 55.0 -19.3 -96.7 -53.7 3.0 -22.7 24.5 188 194 A N E -gH 100 157B 40 -31,-1.5 -31,-3.3 -89,-0.2 2,-0.5 -0.978 52.4-130.5-153.6 168.9 2.1 -21.0 21.3 189 195 A I E -gH 101 156B 0 -89,-2.9 -87,-2.5 -2,-0.3 2,-0.6 -0.985 14.0-161.0-129.0 123.8 -0.6 -18.9 19.6 190 196 A E E -gH 102 155B 41 -35,-2.7 -35,-3.0 -2,-0.5 2,-0.5 -0.929 8.4-170.3-110.9 114.0 -2.0 -19.8 16.2 191 197 A V E -gH 103 154B 2 -89,-2.9 -87,-2.2 -2,-0.6 2,-0.4 -0.901 4.4-177.2-104.9 130.6 -3.8 -16.9 14.4 192 198 A N E -gH 104 153B 51 -39,-3.6 -39,-2.4 -2,-0.5 2,-0.5 -0.856 1.9-173.8-131.1 102.2 -5.8 -17.6 11.3 193 199 A I E gH 105 152B 0 -89,-2.6 -87,-2.9 -2,-0.4 -41,-0.3 -0.823 360.0 360.0 -99.8 122.2 -7.4 -14.7 9.5 194 200 A K 0 0 117 -43,-1.3 -87,-0.1 -2,-0.5 -86,-0.1 -0.987 360.0 360.0-154.8 360.0 -9.7 -15.4 6.5