==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 25-APR-00 1EWC . COMPND 2 MOLECULE: ENTEROTOXIN H; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.HAKANSSON,K.PETERSSON,H.NILSSON,G.FORSBERG,P.BJORK,P.ANTON . 214 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 25.2 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 . 3 1.4 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 . 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 . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 15.0 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+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 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 2 A D 0 0 189 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.6 44.1 46.1 72.0 2 3 A L - 0 0 37 1,-0.1 160,-0.1 158,-0.0 2,-0.0 -0.487 360.0-123.9 -67.7 129.1 44.0 49.7 73.2 3 4 A H - 0 0 56 -2,-0.2 158,-0.4 158,-0.2 2,-0.3 -0.353 23.2-120.5 -71.3 154.2 40.4 50.7 73.9 4 5 A D > - 0 0 23 156,-0.1 3,-2.4 174,-0.1 4,-0.3 -0.771 9.3-128.8-101.1 142.9 39.0 53.8 72.1 5 6 A K G > S+ 0 0 14 154,-2.3 3,-1.8 -2,-0.3 -1,-0.1 0.804 106.3 70.2 -56.1 -29.9 37.6 56.9 73.8 6 7 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 153,-0.2 153,-0.0 0.611 85.6 69.7 -65.4 -10.1 34.5 56.5 71.6 7 8 A E G < S+ 0 0 111 -3,-2.4 2,-0.3 2,-0.1 -1,-0.3 0.655 84.2 89.3 -80.3 -18.1 33.6 53.4 73.7 8 9 A L S < S- 0 0 25 -3,-1.8 175,-0.1 -4,-0.3 171,-0.0 -0.610 74.8-127.8 -89.9 142.9 32.9 55.5 76.8 9 10 A T > - 0 0 62 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.286 31.8-106.7 -74.3 167.7 29.5 57.0 77.7 10 11 A D H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.893 122.3 55.2 -63.2 -39.7 29.4 60.7 78.6 11 12 A L H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.925 106.2 50.6 -58.6 -46.0 28.9 59.8 82.2 12 13 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 113.5 45.2 -59.6 -45.3 32.1 57.8 82.2 13 14 A L H X S+ 0 0 8 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.924 113.8 48.1 -65.4 -45.3 34.1 60.7 80.6 14 15 A A H X S+ 0 0 61 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.917 114.2 48.1 -62.7 -41.6 32.7 63.3 82.9 15 16 A N H X S+ 0 0 41 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.942 113.3 45.9 -64.6 -46.7 33.4 61.0 85.9 16 17 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.958 114.3 48.3 -60.2 -51.7 37.0 60.3 84.8 17 18 A Y H X S+ 0 0 69 -4,-2.9 4,-1.0 135,-0.2 -1,-0.2 0.918 111.7 52.4 -52.8 -46.9 37.7 63.9 84.0 18 19 A G H X S+ 0 0 26 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.893 112.3 40.8 -59.8 -46.0 36.3 64.8 87.4 19 20 A Q H < S+ 0 0 4 -4,-2.3 57,-0.2 1,-0.2 -1,-0.2 0.829 113.9 50.8 -77.2 -30.6 38.3 62.5 89.6 20 21 A Y H < S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.661 116.4 43.5 -80.6 -12.1 41.7 63.0 87.8 21 22 A N H < S+ 0 0 15 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.601 123.9 34.5-102.2 -17.5 41.2 66.8 88.1 22 23 A H S < S+ 0 0 131 -4,-1.0 54,-0.4 -5,-0.2 -1,-0.2 -0.463 76.5 175.4-137.1 65.8 40.0 66.8 91.7 23 24 A P - 0 0 32 0, 0.0 2,-0.7 0, 0.0 52,-0.2 -0.355 37.1-112.4 -70.9 152.1 41.7 64.0 93.7 24 25 A F E -A 74 0A 11 50,-2.7 50,-1.9 -5,-0.1 2,-0.5 -0.777 40.0-179.2 -86.5 115.8 41.1 63.7 97.4 25 26 A I E +A 73 0A 95 -2,-0.7 2,-0.4 48,-0.2 48,-0.2 -0.962 9.3 159.5-122.3 115.4 44.4 64.6 99.1 26 27 A K E -A 72 0A 18 46,-1.8 46,-3.4 -2,-0.5 2,-0.4 -0.998 21.5-152.7-137.6 133.2 44.7 64.5 102.9 27 28 A E E + 0 0 92 -2,-0.4 44,-0.2 44,-0.2 43,-0.1 -0.835 65.7 1.6-110.1 142.3 47.8 64.2 105.0 28 29 A N E S+ 0 0 84 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.941 78.8 146.2 56.6 61.7 48.2 62.7 108.5 29 30 A I E -A 70 0A 19 41,-2.6 41,-3.7 -3,-0.2 2,-0.4 -0.897 28.9-154.5-123.0 158.6 44.7 61.4 109.5 30 31 A K - 0 0 92 -2,-0.3 2,-0.4 39,-0.2 39,-0.1 -0.990 8.8-170.1-137.9 145.0 43.8 58.4 111.5 31 32 A S + 0 0 4 37,-0.5 36,-3.9 34,-0.4 37,-0.4 -0.999 14.5 179.9-133.9 132.5 40.9 56.0 111.8 32 33 A D + 0 0 99 -2,-0.4 2,-0.5 34,-0.2 34,-0.1 -0.081 64.7 96.2-116.7 25.9 40.3 53.4 114.5 33 34 A E - 0 0 59 8,-0.4 8,-2.9 2,-0.0 2,-0.3 -0.930 52.5-171.0-128.0 112.1 37.0 52.5 112.8 34 35 A I E -C 40 0B 38 -2,-0.5 2,-0.4 6,-0.2 6,-0.2 -0.725 5.7-163.2 -95.5 145.4 36.6 49.7 110.4 35 36 A S E > S-C 39 0B 23 4,-2.9 4,-1.4 -2,-0.3 3,-0.5 -0.984 70.4 -8.1-127.7 140.8 33.3 49.3 108.4 36 37 A G T 4 S- 0 0 67 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.536 114.4 -73.0 63.2-147.4 32.4 46.0 106.7 37 38 A E T 4 S+ 0 0 152 -2,-0.1 -1,-0.2 -3,-0.1 26,-0.2 0.492 130.0 40.2-117.5 -7.6 35.7 44.3 107.2 38 39 A K T 4 S+ 0 0 85 -3,-0.5 18,-2.9 24,-0.1 2,-0.4 0.079 91.9 85.5-132.4 28.9 37.8 46.2 104.7 39 40 A D E < -CD 35 55B 9 -4,-1.4 -4,-2.9 16,-0.2 2,-0.4 -0.986 57.5-149.7-128.8 137.7 36.8 49.9 104.8 40 41 A L E -CD 34 54B 0 14,-2.4 14,-2.2 -2,-0.4 2,-0.5 -0.861 15.2-140.8-105.2 145.0 38.3 52.4 107.2 41 42 A I E - D 0 53B 5 -8,-2.9 2,-0.5 -2,-0.4 -8,-0.4 -0.915 18.7-177.4-112.2 130.3 36.1 55.4 108.3 42 43 A F E > - D 0 52B 3 10,-3.4 3,-2.1 -2,-0.5 10,-1.0 -0.769 26.1-146.7-122.9 81.2 37.3 58.9 108.8 43 44 A R T 3 S- 0 0 110 -2,-0.5 8,-0.2 1,-0.3 7,-0.1 -0.227 77.5 -3.4 -53.4 130.9 34.2 60.7 110.1 44 45 A N T 3 S+ 0 0 110 5,-0.3 -1,-0.3 1,-0.1 7,-0.2 0.514 103.9 109.9 62.9 8.5 34.0 64.4 108.9 45 46 A Q < + 0 0 84 -3,-2.1 6,-0.2 4,-0.1 -2,-0.1 0.564 57.5 81.8 -89.6 -9.2 37.3 64.1 107.2 46 47 A G S > S- 0 0 10 4,-2.1 3,-1.2 -4,-0.4 6,-0.1 -0.066 98.8 -55.3 -83.3-171.0 36.1 64.2 103.6 47 48 A D G > S+ 0 0 78 1,-0.3 3,-2.5 2,-0.2 -1,-0.2 -0.356 124.7 10.3 -66.1 147.3 35.2 67.2 101.5 48 49 A S G 3 S- 0 0 121 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.770 130.6 -68.9 54.6 29.5 32.6 69.5 103.0 49 50 A G G < S+ 0 0 31 -3,-1.2 -1,-0.3 1,-0.2 -5,-0.3 0.500 94.9 149.7 70.9 -1.3 32.9 67.6 106.3 50 51 A N < - 0 0 21 -3,-2.5 -4,-2.1 -6,-0.1 39,-0.2 -0.211 56.3 -97.3 -56.4 160.1 31.2 64.7 104.6 51 52 A D E - e 0 89B 4 37,-1.9 39,-2.5 -7,-0.2 2,-0.4 -0.349 35.0-132.4 -76.6 165.3 32.5 61.5 106.1 52 53 A L E -De 42 90B 1 -10,-1.0 -10,-3.4 37,-0.2 2,-0.5 -0.986 19.1-174.6-127.0 125.9 35.3 59.6 104.4 53 54 A R E -De 41 91B 12 37,-2.8 39,-1.4 -2,-0.4 2,-0.7 -0.964 7.3-163.8-119.4 112.1 35.3 55.8 103.7 54 55 A V E -De 40 92B 0 -14,-2.2 -14,-2.4 -2,-0.5 2,-0.4 -0.882 14.2-151.9 -99.9 116.7 38.5 54.4 102.2 55 56 A K E -De 39 93B 18 37,-2.8 39,-2.8 -2,-0.7 2,-0.3 -0.734 10.9-167.9 -93.4 133.4 37.8 51.0 100.8 56 57 A F - 0 0 1 -18,-2.9 138,-0.2 -2,-0.4 137,-0.1 -0.764 31.3-121.8-116.1 162.8 40.4 48.2 100.5 57 58 A A S S+ 0 0 37 136,-1.7 2,-0.3 -2,-0.3 137,-0.1 0.815 94.7 22.9 -71.3 -30.7 40.5 45.0 98.6 58 59 A T > - 0 0 63 135,-0.3 4,-1.7 -20,-0.1 3,-0.3 -0.929 69.6-124.1-137.3 160.8 41.1 43.0 101.8 59 60 A A H > S+ 0 0 32 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.822 112.3 69.5 -68.3 -28.9 40.6 43.2 105.6 60 61 A D H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 103.0 42.3 -52.8 -45.8 44.3 42.5 105.7 61 62 A L H > S+ 0 0 30 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.919 111.8 51.4 -70.0 -46.9 44.8 46.0 104.3 62 63 A A H >X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 3,-0.5 0.932 111.9 48.9 -57.1 -45.4 42.2 47.8 106.4 63 64 A Q H >< S+ 0 0 106 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.898 102.4 62.1 -59.5 -45.0 43.7 46.3 109.5 64 65 A K H 3< S+ 0 0 104 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.836 115.8 31.8 -51.3 -38.0 47.3 47.3 108.5 65 66 A F H X< S+ 0 0 5 -4,-1.3 3,-2.2 -3,-0.5 -34,-0.4 0.533 86.8 123.8-100.7 -8.2 46.2 51.0 108.6 66 67 A K T << S+ 0 0 61 -4,-1.2 -34,-0.2 -3,-0.5 3,-0.1 -0.324 90.2 1.4 -55.8 131.5 43.7 50.8 111.4 67 68 A N T 3 S+ 0 0 82 -36,-3.9 2,-0.3 1,-0.2 -1,-0.3 0.726 105.8 124.7 58.8 27.2 44.7 53.3 114.1 68 69 A K S < S- 0 0 93 -3,-2.2 2,-0.7 -37,-0.4 -37,-0.5 -0.887 71.8-111.8-113.9 147.4 47.8 54.5 112.0 69 70 A N - 0 0 82 -2,-0.3 30,-2.6 -39,-0.1 31,-0.5 -0.691 53.7-175.9 -75.7 114.5 48.5 58.1 111.0 70 71 A V E -AB 29 98A 0 -41,-3.7 -41,-2.6 -2,-0.7 2,-0.4 -0.792 30.1-137.3-120.9 160.5 48.0 57.8 107.3 71 72 A D E - B 0 97A 0 26,-2.9 26,-2.0 -2,-0.3 2,-0.4 -0.929 22.4-156.6-110.2 136.6 48.3 59.9 104.1 72 73 A I E +AB 26 96A 1 -46,-3.4 -46,-1.8 -2,-0.4 24,-0.2 -0.923 21.8 160.9-116.6 140.8 45.5 59.6 101.5 73 74 A Y E +A 25 0A 26 22,-1.6 2,-0.3 -2,-0.4 -48,-0.2 -0.694 31.5 107.5-158.2 98.8 45.8 60.4 97.8 74 75 A G E -A 24 0A 0 -50,-1.9 -50,-2.7 -2,-0.2 2,-0.7 -0.927 68.8 -68.6-159.8-176.4 43.1 59.0 95.5 75 76 A A - 0 0 0 -2,-0.3 18,-0.6 18,-0.3 2,-0.2 -0.781 52.4-156.5 -87.9 116.2 40.1 59.3 93.2 76 77 A S E +F 92 0B 17 -2,-0.7 2,-0.3 -54,-0.4 16,-0.2 -0.583 17.0 167.3 -96.5 157.7 37.0 60.2 95.3 77 78 A F E -F 91 0B 8 14,-2.2 14,-3.7 -2,-0.2 107,-0.0 -0.984 29.8-157.5-160.7 167.1 33.3 59.7 94.7 78 79 A Y > + 0 0 99 -2,-0.3 3,-2.8 12,-0.2 11,-0.1 0.734 61.1 100.6-116.7 -45.6 29.8 59.7 96.1 79 80 A Y T 3 S- 0 0 157 1,-0.3 107,-0.4 12,-0.1 3,-0.1 -0.279 104.4 -0.5 -53.6 119.6 27.6 57.6 94.0 80 81 A K T 3 S+ 0 0 48 1,-0.3 2,-0.6 -2,-0.1 -1,-0.3 0.524 91.2 147.3 76.6 8.0 27.1 54.2 95.6 81 82 A a < - 0 0 11 -3,-2.8 8,-0.3 8,-0.2 -1,-0.3 -0.666 55.0-119.3 -77.2 116.7 29.4 55.1 98.5 82 83 A E - 0 0 93 -2,-0.6 2,-0.1 -3,-0.1 -1,-0.1 -0.392 27.3-127.8 -60.8 121.7 28.0 53.3 101.5 83 84 A K - 0 0 123 -2,-0.2 5,-0.1 1,-0.1 -1,-0.1 -0.410 18.9-167.7 -70.0 145.6 26.8 55.8 104.1 84 85 A I S S+ 0 0 45 3,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.711 77.4 6.1-102.8 -29.9 28.2 55.4 107.7 85 86 A S S S- 0 0 43 2,-0.5 4,-0.1 0, 0.0 -2,-0.0 -0.406 98.7 -80.6-128.8-155.9 25.8 57.9 109.3 86 87 A E S S+ 0 0 188 -2,-0.2 2,-0.2 2,-0.1 3,-0.0 0.364 106.2 90.4 -95.7 4.1 22.8 59.9 108.0 87 88 A N S S- 0 0 48 1,-0.1 -2,-0.5 0, 0.0 -3,-0.3 -0.536 97.4 -82.0 -94.4 159.6 25.3 62.3 106.6 88 89 A I - 0 0 100 -2,-0.2 -37,-1.9 -5,-0.1 2,-0.4 -0.465 43.4-146.4 -67.0 131.0 26.8 62.0 103.0 89 90 A S E -e 51 0B 4 -8,-0.3 2,-0.4 -2,-0.2 -37,-0.2 -0.848 5.7-152.6-101.0 134.1 29.7 59.5 102.8 90 91 A E E -e 52 0B 2 -39,-2.5 -37,-2.8 -2,-0.4 2,-0.3 -0.875 16.3-152.1-104.6 140.0 32.5 60.2 100.4 91 92 A a E +eF 53 77B 0 -14,-3.7 -14,-2.2 -2,-0.4 2,-0.3 -0.758 21.9 166.9-115.4 164.1 34.4 57.2 99.0 92 93 A L E -eF 54 76B 0 -39,-1.4 -37,-2.8 -2,-0.3 2,-0.4 -0.933 28.7-129.1-167.0 140.6 37.9 56.4 97.7 93 94 A Y E -e 55 0B 8 -18,-0.6 -18,-0.3 -2,-0.3 -37,-0.2 -0.830 65.9 -44.5-100.1 140.3 39.6 53.1 97.0 94 95 A G S S+ 0 0 0 -39,-2.8 99,-0.1 -2,-0.4 -21,-0.1 -0.109 70.4 138.9 46.5-122.2 43.1 52.5 98.5 95 96 A G + 0 0 2 97,-0.4 -22,-1.6 1,-0.2 2,-0.4 0.661 42.9 136.5 55.9 22.4 45.4 55.5 98.0 96 97 A T E +B 72 0A 1 -24,-0.2 2,-0.3 36,-0.1 -24,-0.2 -0.863 22.2 158.3-112.2 131.1 46.7 54.9 101.6 97 98 A T E -B 71 0A 10 -26,-2.0 -26,-2.9 -2,-0.4 2,-0.3 -0.909 47.9 -89.7-138.2 161.1 50.3 55.0 102.9 98 99 A L E > -B 70 0A 43 -2,-0.3 3,-1.1 -28,-0.2 -28,-0.3 -0.580 27.6-139.1 -76.8 136.5 51.8 55.5 106.4 99 100 A N T 3 S+ 0 0 40 -30,-2.6 -29,-0.1 -2,-0.3 -1,-0.1 0.773 99.7 62.4 -65.1 -26.8 52.5 59.2 107.2 100 101 A S T 3 S+ 0 0 90 -31,-0.5 2,-1.4 1,-0.2 -1,-0.2 0.680 83.3 85.6 -73.9 -17.1 55.8 58.3 108.9 101 102 A E < + 0 0 64 -3,-1.1 29,-2.6 30,-0.1 30,-0.6 -0.490 57.0 148.5 -89.2 69.4 57.2 56.9 105.6 102 103 A K E -G 129 0C 56 -2,-1.4 27,-0.3 27,-0.3 4,-0.0 -0.751 46.8-111.3-103.2 149.4 58.7 60.0 103.9 103 104 A L E - 0 0 26 25,-3.5 3,-0.1 -2,-0.3 27,-0.1 -0.286 19.3-124.4 -70.8 159.7 61.7 60.1 101.6 104 105 A A E S+ 0 0 101 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.708 99.5 17.8 -76.3 -19.2 64.9 61.8 102.7 105 106 A Q E S- 0 0 159 23,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.995 94.7 -89.1-154.1 149.3 64.4 63.7 99.4 106 107 A E E - 0 0 99 -2,-0.3 2,-0.6 -3,-0.1 22,-0.2 -0.290 39.1-141.9 -57.4 126.1 61.7 64.5 96.9 107 108 A R E -G 127 0C 41 20,-2.6 20,-1.9 22,-0.1 2,-0.5 -0.840 14.0-164.0 -95.1 123.3 61.6 61.9 94.1 108 109 A V E -G 126 0C 58 -2,-0.6 2,-0.5 18,-0.2 18,-0.2 -0.923 4.1-160.1-107.4 131.9 60.9 63.4 90.7 109 110 A I E -G 125 0C 0 16,-3.2 16,-1.9 -2,-0.5 2,-0.3 -0.951 11.0-136.0-115.0 132.1 59.9 61.0 88.0 110 111 A G E -G 124 0C 25 -2,-0.5 96,-2.7 94,-0.4 2,-0.5 -0.618 12.4-159.4 -86.5 143.3 60.2 61.7 84.3 111 112 A A E -Gh 123 206C 1 12,-3.0 12,-3.1 -2,-0.3 2,-0.3 -0.916 6.0-152.4-126.5 105.8 57.3 60.9 82.0 112 113 A N E - h 0 207C 47 94,-2.6 96,-3.5 -2,-0.5 2,-0.4 -0.571 15.7-158.5 -75.5 137.6 58.1 60.6 78.3 113 114 A V E - h 0 208C 1 7,-0.4 7,-3.2 -2,-0.3 2,-0.4 -0.968 14.1-179.9-126.2 134.4 55.2 61.4 76.0 114 115 A W E -Ih 119 209C 80 94,-2.4 96,-2.9 -2,-0.4 2,-0.5 -0.979 10.9-163.1-128.8 140.2 54.5 60.5 72.5 115 116 A V E > S-Ih 118 210C 19 3,-2.2 3,-1.8 -2,-0.4 96,-0.2 -0.977 85.1 -20.1-125.0 112.9 51.5 61.4 70.3 116 117 A D T 3 S- 0 0 56 94,-3.1 95,-0.1 -2,-0.5 -1,-0.1 0.903 128.7 -53.4 53.9 43.4 51.2 59.1 67.3 117 118 A G T 3 S+ 0 0 43 93,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.474 111.8 122.4 75.1 -0.1 54.9 58.3 67.6 118 119 A I E < -I 115 0C 112 -3,-1.8 -3,-2.2 1,-0.0 2,-0.3 -0.865 66.2-120.2 -99.1 124.0 56.0 61.9 67.7 119 120 A Q E -I 114 0C 99 -2,-0.6 -5,-0.2 -5,-0.2 2,-0.2 -0.426 31.7-173.0 -67.7 125.9 57.9 62.9 70.8 120 121 A K - 0 0 82 -7,-3.2 -7,-0.4 -2,-0.3 3,-0.1 -0.410 44.6 -56.8-102.9-176.6 56.3 65.6 72.9 121 122 A E - 0 0 108 -2,-0.2 2,-0.3 -9,-0.1 -1,-0.2 -0.324 58.3-111.2 -64.5 144.0 57.9 67.4 75.9 122 123 A T - 0 0 70 -10,-0.1 -10,-0.2 -3,-0.1 2,-0.2 -0.623 37.4-146.2 -76.4 133.1 58.9 65.1 78.8 123 124 A E E -G 111 0C 26 -12,-3.1 -12,-3.0 -2,-0.3 2,-0.4 -0.570 6.0-138.0 -99.8 164.5 56.5 65.7 81.8 124 125 A L E +G 110 0C 94 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.2 -0.960 20.3 170.8-129.5 143.9 57.3 65.5 85.5 125 126 A I E -G 109 0C 7 -16,-1.9 -16,-3.2 -2,-0.4 2,-0.3 -0.933 13.8-167.1-138.6 161.3 55.6 64.2 88.6 126 127 A R E -G 108 0C 111 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.975 10.3-172.2-150.0 162.0 57.0 63.9 92.1 127 128 A T E -G 107 0C 0 -20,-1.9 -20,-2.6 -2,-0.3 5,-0.1 -0.970 20.7-155.2-150.0 159.7 56.3 62.4 95.5 128 129 A N E + 0 0 55 -2,-0.3 -25,-3.5 -22,-0.2 2,-0.3 0.292 66.3 106.5-118.0 4.5 57.8 62.6 99.0 129 130 A K E -G 102 0C 9 -27,-0.3 3,-0.3 1,-0.1 -27,-0.3 -0.648 63.5-146.9 -88.8 141.3 56.6 59.2 100.0 130 131 A K S S+ 0 0 74 -29,-2.6 70,-2.2 1,-0.3 2,-0.5 0.878 100.1 31.0 -69.2 -40.8 58.9 56.2 100.4 131 132 A N E S-L 199 0D 61 -30,-0.6 2,-0.4 68,-0.2 -1,-0.3 -0.960 83.2-173.2-120.6 106.5 56.1 53.9 99.2 132 133 A V E -L 198 0D 0 66,-2.3 66,-3.6 -2,-0.5 2,-0.1 -0.830 25.2-117.0-103.5 141.2 53.8 55.7 96.9 133 134 A T E > -L 197 0D 2 -2,-0.4 4,-1.6 64,-0.3 64,-0.3 -0.489 16.4-129.5 -74.2 146.5 50.5 54.2 95.6 134 135 A L H > S+ 0 0 12 62,-2.7 4,-2.7 1,-0.2 5,-0.2 0.851 109.2 64.4 -61.7 -32.1 50.3 53.6 91.9 135 136 A Q H > S+ 0 0 5 61,-0.5 4,-2.8 1,-0.2 5,-0.2 0.944 100.6 49.4 -56.5 -48.6 47.0 55.4 92.1 136 137 A E H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 112.8 45.1 -57.9 -49.0 48.7 58.6 93.2 137 138 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.911 113.2 52.2 -61.3 -42.4 51.3 58.5 90.4 138 139 A D H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.923 109.9 47.4 -61.0 -46.1 48.5 57.6 87.9 139 140 A I H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.943 110.7 52.6 -61.9 -45.5 46.3 60.5 88.9 140 141 A K H X S+ 0 0 46 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.866 113.7 43.0 -58.7 -37.4 49.3 62.9 88.7 141 142 A I H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.911 113.3 50.2 -74.6 -45.8 50.1 61.8 85.2 142 143 A R H X S+ 0 0 6 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.835 105.2 59.2 -62.5 -30.5 46.5 61.8 84.0 143 144 A K H X S+ 0 0 68 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.931 108.5 43.8 -61.9 -47.2 46.1 65.3 85.4 144 145 A I H X S+ 0 0 33 -4,-1.2 4,-3.2 2,-0.2 5,-0.4 0.927 115.0 49.3 -64.1 -42.4 48.9 66.5 83.1 145 146 A L H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 6,-1.0 0.878 112.4 48.3 -64.4 -37.3 47.4 64.5 80.2 146 147 A S H X S+ 0 0 4 -4,-3.0 4,-1.1 4,-0.2 -2,-0.2 0.940 114.7 46.1 -68.1 -45.0 44.0 66.0 80.9 147 148 A D H < S+ 0 0 90 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.949 126.5 25.5 -62.0 -52.2 45.5 69.5 81.1 148 149 A K H < S+ 0 0 87 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.858 135.9 25.3 -86.2 -36.7 47.6 69.3 78.0 149 150 A Y H < S- 0 0 26 -4,-2.0 9,-0.4 -5,-0.4 -3,-0.2 0.404 90.0-132.1-110.4 4.1 46.0 66.7 75.7 150 151 A K >< + 0 0 92 -4,-1.1 3,-2.1 -5,-0.4 6,-0.3 0.867 36.9 174.0 47.3 45.9 42.3 66.9 77.0 151 152 A I T 3 S+ 0 0 0 -6,-1.0 -5,-0.1 1,-0.3 -1,-0.1 0.781 72.6 44.5 -54.8 -30.4 42.2 63.1 77.2 152 153 A Y T 3 S+ 0 0 5 -136,-0.1 2,-0.6 -6,-0.1 -1,-0.3 0.170 85.4 104.0-104.2 21.5 38.8 63.1 78.9 153 154 A Y X - 0 0 102 -3,-2.1 3,-1.7 1,-0.1 5,-0.1 -0.905 69.8-139.0 -99.5 123.3 37.1 65.6 76.7 154 155 A K T 3 S+ 0 0 139 -2,-0.6 -1,-0.1 1,-0.3 -146,-0.0 0.848 97.7 43.7 -49.5 -44.2 34.8 63.8 74.3 155 156 A D T 3 S+ 0 0 148 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.335 84.8 112.0 -91.6 9.2 35.7 65.9 71.2 156 157 A S S < S- 0 0 23 -3,-1.7 -6,-0.1 -6,-0.3 -7,-0.0 -0.392 78.0-115.3 -75.0 161.5 39.5 66.2 71.7 157 158 A E S S+ 0 0 129 55,-0.1 56,-3.2 -2,-0.1 2,-0.3 0.694 86.4 100.1 -73.5 -17.7 41.5 64.3 69.0 158 159 A I E +J 212 0C 2 -9,-0.4 54,-0.2 54,-0.3 -2,-0.1 -0.509 35.3 157.1 -70.1 129.6 43.1 61.8 71.4 159 160 A S E + 0 0 8 52,-2.9 -154,-2.3 1,-0.3 2,-0.3 0.498 59.6 39.5-130.9 -8.3 41.2 58.5 71.2 160 161 A K E +J 211 0C 63 51,-1.5 51,-2.3 -156,-0.2 -1,-0.3 -0.993 62.5 174.9-141.1 144.4 43.7 55.9 72.5 161 162 A G E -J 210 0C 0 -158,-0.4 16,-2.0 -2,-0.3 17,-0.5 -0.962 13.1-173.6-158.1 138.4 46.2 56.0 75.4 162 163 A L E -JK 209 176C 42 47,-2.3 47,-2.5 -2,-0.3 2,-0.5 -0.997 6.7-163.8-132.7 130.9 48.6 53.9 77.3 163 164 A I E -JK 208 175C 0 12,-2.2 12,-2.0 -2,-0.4 2,-0.5 -0.970 8.5-167.3-117.3 122.1 50.6 54.8 80.4 164 165 A E E -JK 207 174C 56 43,-3.1 43,-2.7 -2,-0.5 2,-0.7 -0.936 7.4-164.8-112.4 124.4 53.6 52.6 81.3 165 166 A F E -JK 206 173C 1 8,-3.6 8,-2.3 -2,-0.5 2,-0.4 -0.938 17.3-161.8-107.1 111.0 55.2 52.9 84.8 166 167 A D E -JK 205 172C 30 39,-2.9 38,-2.8 -2,-0.7 39,-1.1 -0.786 4.3-152.3 -99.8 139.1 58.6 51.2 84.5 167 168 A M E -J 203 0C 22 4,-2.7 36,-0.2 -2,-0.4 38,-0.1 -0.245 35.7-101.5 -91.0-175.2 60.7 50.0 87.5 168 169 A K S S+ 0 0 142 34,-1.6 35,-0.1 36,-0.1 -1,-0.1 0.586 111.9 56.7 -84.8 -9.7 64.5 49.7 87.6 169 170 A T S S- 0 0 94 33,-0.3 -2,-0.3 2,-0.2 35,-0.1 -0.457 118.3 -84.4-103.8-178.9 64.0 45.9 87.1 170 171 A P S S+ 0 0 126 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.469 94.5 118.4 -71.1 4.3 62.1 44.5 84.1 171 172 A R + 0 0 136 -5,-0.1 -4,-2.7 2,-0.0 2,-0.3 -0.454 38.7 169.9 -70.7 136.5 58.9 45.0 86.1 172 173 A D E -K 166 0C 66 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.978 21.0-157.3-147.3 157.3 56.3 47.5 84.7 173 174 A Y E -K 165 0C 54 -8,-2.3 -8,-3.6 -2,-0.3 2,-0.3 -0.939 17.8-176.5-130.7 153.2 52.7 48.5 85.3 174 175 A S E -K 164 0C 61 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.999 17.8-154.8-155.3 154.1 50.3 50.1 82.8 175 176 A F E -K 163 0C 25 -12,-2.0 -12,-2.2 -2,-0.3 2,-0.8 -0.995 17.1-141.7-131.7 131.8 46.9 51.6 82.3 176 177 A D E > -K 162 0C 24 -2,-0.4 3,-1.1 -14,-0.2 -14,-0.2 -0.848 24.7-144.8 -86.4 117.1 44.9 51.8 79.1 177 178 A I T 3 S+ 0 0 0 -16,-2.0 -1,-0.1 -2,-0.8 -15,-0.1 0.623 93.1 39.8 -65.0 -11.9 43.4 55.3 79.8 178 179 A Y T 3 S+ 0 0 1 -17,-0.5 2,-1.7 -175,-0.2 -1,-0.2 0.415 86.0 94.9-115.8 1.0 40.1 54.4 78.1 179 180 A D < + 0 0 85 -3,-1.1 -3,-0.2 -176,-0.1 2,-0.2 -0.508 61.9 175.2 -89.4 67.2 39.6 50.8 79.4 180 181 A L - 0 0 19 -2,-1.7 8,-0.1 1,-0.1 9,-0.1 -0.491 41.8-120.6 -78.3 145.1 37.4 52.0 82.3 181 182 A G S S- 0 0 59 7,-0.3 2,-0.2 -2,-0.2 -1,-0.1 0.876 79.7 -54.1 -48.9 -44.0 35.8 49.5 84.6 182 183 A G S S- 0 0 24 2,-0.2 -2,-0.1 -170,-0.1 3,-0.0 -0.651 70.8 -71.7-165.8-137.9 32.4 50.9 83.8 183 184 A E S S+ 0 0 72 -2,-0.2 2,-0.3 -175,-0.1 -168,-0.2 0.575 104.2 72.7-115.8 -14.8 30.9 54.4 83.9 184 185 A N S >> S- 0 0 24 1,-0.1 4,-3.0 -169,-0.1 3,-1.4 -0.794 80.4-125.8-103.2 144.9 30.5 55.0 87.6 185 186 A D H 3> S+ 0 0 18 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.850 107.3 63.7 -56.6 -37.8 33.5 55.6 90.0 186 187 A Y H 34 S+ 0 0 75 -107,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.795 117.1 33.3 -58.5 -23.8 32.6 52.7 92.4 187 188 A E H X4 S+ 0 0 58 -3,-1.4 3,-1.4 2,-0.1 -2,-0.2 0.880 119.3 49.5 -91.9 -55.8 33.3 50.5 89.4 188 189 A I H >< S+ 0 0 5 -4,-3.0 3,-1.0 1,-0.2 -7,-0.3 0.886 108.8 51.8 -52.8 -46.9 36.0 52.4 87.6 189 190 A D G >< S+ 0 0 0 -4,-2.9 3,-3.5 1,-0.2 4,-0.4 0.505 74.6 95.0 -76.2 -4.0 38.2 52.9 90.7 190 191 A K G X S+ 0 0 103 -3,-1.4 3,-0.6 1,-0.3 4,-0.4 0.684 70.9 82.2 -57.9 -11.9 38.4 49.2 91.8 191 192 A I G < S+ 0 0 80 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.687 98.2 35.9 -62.9 -19.7 41.5 49.6 89.7 192 193 A Y G X S+ 0 0 6 -3,-3.5 3,-2.1 1,-0.1 -97,-0.4 0.396 86.7 101.9-115.5 -2.6 43.1 51.1 92.9 193 194 A E T < S+ 0 0 43 -3,-0.6 -136,-1.7 -4,-0.4 -99,-0.3 0.746 73.4 63.5 -56.5 -28.3 41.3 48.9 95.5 194 195 A D T 3 S- 0 0 89 -4,-0.4 -1,-0.3 -138,-0.2 3,-0.2 0.525 100.3-134.7 -77.7 -2.3 44.4 46.7 96.0 195 196 A N < - 0 0 10 -3,-2.1 -2,-0.1 1,-0.2 -3,-0.1 0.806 29.0-164.7 53.6 32.3 46.3 49.8 97.3 196 197 A K - 0 0 80 -63,-0.1 -62,-2.7 -4,-0.1 -61,-0.5 -0.254 7.0-169.3 -50.9 124.4 49.2 48.8 95.1 197 198 A T E -L 133 0D 46 -64,-0.3 2,-0.4 -3,-0.2 -64,-0.3 -0.915 9.3-152.7-122.4 145.0 52.2 50.7 96.3 198 199 A L E -L 132 0D 6 -66,-3.6 -66,-2.3 -2,-0.4 2,-1.0 -0.909 28.2-110.8-118.0 146.9 55.6 51.1 94.7 199 200 A K E > -L 131 0D 111 -2,-0.4 3,-2.4 -68,-0.2 4,-0.4 -0.660 33.2-144.6 -75.7 107.8 59.0 51.8 96.4 200 201 A S G > S+ 0 0 0 -70,-2.2 3,-1.2 -2,-1.0 -1,-0.2 0.796 93.9 51.7 -43.9 -44.4 59.5 55.4 95.1 201 202 A D G 3 S+ 0 0 81 -71,-0.4 -1,-0.3 1,-0.2 -70,-0.1 0.605 104.2 59.3 -75.2 -7.7 63.3 55.1 94.7 202 203 A D G < S+ 0 0 66 -3,-2.4 -34,-1.6 -35,-0.0 2,-0.3 0.428 80.7 106.0 -96.1 -3.0 62.9 51.9 92.6 203 204 A I E < - J 0 167C 0 -3,-1.2 -36,-0.3 -4,-0.4 3,-0.1 -0.628 49.0-170.2 -79.6 134.7 60.8 53.6 90.0 204 205 A S E - 0 0 48 -38,-2.8 -94,-0.4 -2,-0.3 2,-0.3 0.948 49.5 -60.7 -87.3 -65.6 62.6 54.2 86.7 205 206 A H E - J 0 166C 50 -39,-1.1 -39,-2.9 -96,-0.1 2,-0.4 -0.973 42.4-102.4-170.3 176.1 60.3 56.4 84.6 206 207 A I E -hJ 111 165C 0 -96,-2.7 -94,-2.6 -2,-0.3 2,-0.5 -0.901 20.3-159.8-117.8 143.3 57.0 56.7 82.9 207 208 A D E -hJ 112 164C 32 -43,-2.7 -43,-3.1 -2,-0.4 2,-0.5 -0.991 9.1-169.4-123.0 124.0 56.2 56.2 79.2 208 209 A V E -hJ 113 163C 0 -96,-3.5 -94,-2.4 -2,-0.5 2,-0.5 -0.960 4.1-175.5-116.8 130.8 53.0 57.7 77.8 209 210 A N E +hJ 114 162C 31 -47,-2.5 -47,-2.3 -2,-0.5 2,-0.3 -0.973 4.8 179.4-128.3 117.9 51.7 56.9 74.3 210 211 A L E -hJ 115 161C 0 -96,-2.9 -94,-3.1 -2,-0.5 2,-0.4 -0.846 10.0-157.6-115.2 151.4 48.6 58.7 72.9 211 212 A Y E - J 0 160C 81 -51,-2.3 -52,-2.9 -2,-0.3 -51,-1.5 -0.998 16.5-123.8-134.4 134.6 47.1 58.2 69.5 212 213 A T E - J 0 158C 20 -2,-0.4 -54,-0.3 -54,-0.2 -55,-0.1 -0.305 49.5 -58.2 -76.5 159.4 44.8 60.6 67.6 213 214 A K 0 0 61 -56,-3.2 -1,-0.2 1,-0.2 -55,-0.1 0.011 360.0 360.0 -40.5 125.2 41.3 60.0 66.2 214 215 A K 0 0 191 -3,-0.1 -1,-0.2 -55,-0.0 -2,-0.1 -0.019 360.0 360.0-178.5 360.0 41.1 57.2 63.7