==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 05-NOV-04 1XXG . COMPND 2 MOLECULE: ENTEROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.M.FERNANDEZ,S.BHATTACHARYA,E.L.MALCHIODI,R.A.MARIUZZA . 227 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 21.6 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.4 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 . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 1 1 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 . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 2 1 0 1 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 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 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 Q 0 0 76 0, 0.0 2,-0.1 0, 0.0 187,-0.1 0.000 360.0 360.0 360.0 149.4 58.4 31.9 56.9 2 2 A P - 0 0 109 0, 0.0 186,-0.1 0, 0.0 185,-0.0 0.590 360.0-113.4 -86.5 160.5 59.0 34.7 56.5 3 3 A D - 0 0 86 -2,-0.1 2,-0.0 1,-0.1 175,-0.0 -0.267 36.7-118.6 -55.5 134.2 56.6 35.7 53.8 4 4 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.287 18.6-122.5 -73.8 158.2 58.5 36.6 50.5 5 5 A K >> - 0 0 40 1,-0.1 3,-2.5 -2,-0.0 4,-0.7 -0.768 29.9-106.0-101.9 149.1 58.4 40.0 48.8 6 6 A L G >4 S+ 0 0 109 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.811 119.2 58.8 -38.0 -42.9 57.3 40.5 45.2 7 7 A D G 34 S+ 0 0 128 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.751 102.5 50.8 -63.4 -29.0 61.0 40.9 44.2 8 8 A E G <4 S+ 0 0 101 -3,-2.5 -1,-0.2 2,-0.1 2,-0.2 0.523 88.2 98.4 -90.7 -5.0 62.1 37.5 45.5 9 9 A L S << S- 0 0 8 -3,-1.0 2,-0.1 -4,-0.7 167,-0.1 -0.585 83.6-103.9 -83.3 144.4 59.5 35.4 43.7 10 10 A N - 0 0 52 182,-0.2 2,-0.4 -2,-0.2 165,-0.3 -0.422 37.9-129.2 -67.5 139.9 60.3 33.7 40.4 11 11 A K > - 0 0 39 1,-0.1 4,-1.1 163,-0.1 163,-0.2 -0.760 9.3-149.2 -99.3 136.8 58.8 35.4 37.4 12 12 A V H >> S+ 0 0 12 161,-3.1 4,-1.7 -2,-0.4 3,-0.6 0.912 101.4 54.4 -63.5 -43.7 56.8 33.8 34.6 13 13 A S H 3> S+ 0 0 46 1,-0.2 4,-2.3 160,-0.2 -1,-0.2 0.851 104.6 55.0 -59.9 -35.6 58.1 36.3 32.0 14 14 A D H 3> S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.784 103.6 54.2 -70.0 -29.0 61.7 35.4 32.9 15 15 A Y H <<>S+ 0 0 2 -4,-1.1 5,-2.6 -3,-0.6 3,-0.2 0.948 111.5 43.7 -71.2 -47.6 61.2 31.7 32.3 16 16 A K H ><5S+ 0 0 124 -4,-1.7 3,-2.4 1,-0.2 -2,-0.2 0.930 109.5 58.2 -61.6 -44.1 59.9 32.3 28.8 17 17 A S H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 103.9 52.4 -52.8 -38.4 62.7 34.9 28.1 18 18 A N T 3<5S- 0 0 76 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.178 126.5-102.4 -85.3 19.5 65.2 32.2 28.9 19 19 A K T < 5S+ 0 0 181 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.799 72.8 152.2 65.8 29.1 63.6 29.8 26.3 20 20 A G < - 0 0 4 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.2 -0.673 41.1-137.5 -92.1 149.1 61.9 27.9 29.1 21 21 A T > - 0 0 47 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.878 7.2-163.2-109.4 104.6 58.5 26.0 28.5 22 22 A M T >> S+ 0 0 4 -2,-0.7 4,-2.2 1,-0.3 3,-0.9 0.694 82.3 82.3 -58.6 -15.1 56.0 26.4 31.4 23 23 A G H 3> S+ 0 0 0 144,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.797 79.6 64.2 -59.7 -29.5 54.2 23.4 29.8 24 24 A N H <> S+ 0 0 67 -3,-2.1 4,-0.7 143,-0.2 -1,-0.2 0.853 108.4 40.3 -61.9 -36.3 56.7 21.0 31.6 25 25 A V H <> S+ 0 0 0 -3,-0.9 4,-1.6 -4,-0.4 3,-0.4 0.862 110.9 57.4 -78.6 -40.1 55.3 22.2 35.0 26 26 A M H X S+ 0 0 42 -4,-2.2 4,-1.2 140,-0.3 5,-0.3 0.925 104.3 54.2 -55.3 -44.1 51.8 22.3 33.7 27 27 A N H X S+ 0 0 74 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.813 103.0 55.5 -61.4 -33.9 52.1 18.6 32.8 28 28 A L H < S+ 0 0 20 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.905 115.4 37.2 -66.7 -40.9 53.2 17.7 36.3 29 29 A Y H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.527 119.6 46.0 -92.1 -5.1 50.1 19.2 37.9 30 30 A M H < S+ 0 0 74 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.2 0.684 97.7 81.3-102.9 -30.4 47.6 18.2 35.2 31 31 A S S < S- 0 0 43 -4,-1.7 125,-0.0 -5,-0.3 0, 0.0 -0.438 97.3 -89.2 -74.7 151.9 48.8 14.6 34.9 32 32 A P - 0 0 64 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.200 43.1-121.4 -60.9 152.9 47.5 12.0 37.4 33 33 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 52,-0.2 -0.466 30.1 -94.5 -90.0 164.7 49.6 11.5 40.6 34 34 A V E -A 84 0A 0 50,-2.8 50,-1.7 -2,-0.1 2,-0.4 -0.693 51.8-175.9 -77.0 130.2 51.1 8.3 41.8 35 35 A E E +A 83 0A 114 -2,-0.4 2,-0.3 20,-0.3 48,-0.2 -0.965 10.7 158.0-137.4 122.3 48.5 6.8 44.2 36 36 A G E -A 82 0A 9 46,-2.7 46,-2.2 -2,-0.4 2,-0.4 -0.991 22.4-155.1-144.1 151.0 48.8 3.7 46.3 37 37 A R E S- 0 0 199 -2,-0.3 44,-0.2 44,-0.2 -2,-0.0 -0.990 72.7 -2.8-128.8 127.1 47.3 2.1 49.4 38 38 A G E S+ 0 0 21 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.993 84.3 145.3 61.0 71.8 48.9 -0.4 51.7 39 39 A V E -A 80 0A 27 41,-2.6 41,-2.7 -3,-0.1 2,-0.4 -0.946 36.5-147.2-137.5 158.0 52.3 -1.2 50.0 40 40 A I - 0 0 82 -2,-0.3 39,-0.1 39,-0.2 36,-0.1 -0.971 32.3-103.3-126.7 140.3 55.8 -2.1 51.1 41 41 A N - 0 0 21 -2,-0.4 11,-0.3 37,-0.4 36,-0.1 -0.356 21.4-156.4 -62.9 137.9 59.0 -1.2 49.3 42 42 A S - 0 0 65 9,-2.0 2,-0.3 1,-0.2 10,-0.2 0.766 65.2 -34.7 -86.1 -28.8 60.6 -4.0 47.4 43 43 A R B -C 51 0B 49 8,-1.2 8,-2.6 0, 0.0 2,-0.3 -0.937 57.9-105.6-170.1-169.7 64.1 -2.7 47.4 44 44 A Q - 0 0 56 -2,-0.3 6,-0.1 6,-0.2 3,-0.1 -0.954 10.5-171.9-138.8 155.6 66.4 0.4 47.3 45 45 A F S S+ 0 0 93 1,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.727 87.3 13.3-105.7 -68.3 68.8 2.1 44.9 46 46 A L S > S- 0 0 75 1,-0.0 3,-1.2 23,-0.0 -1,-0.6 -0.609 86.8-108.7-101.9 166.6 70.4 4.7 47.2 47 47 A S T 3 S+ 0 0 64 1,-0.2 26,-0.1 -2,-0.2 25,-0.1 0.636 117.0 51.2 -73.0 -13.1 70.1 4.5 51.0 48 48 A H T 3 S+ 0 0 44 24,-0.1 18,-3.2 19,-0.1 2,-0.3 0.169 104.1 65.6-108.7 17.7 67.7 7.6 51.1 49 49 A D E < - D 0 65B 0 -3,-1.2 2,-0.4 16,-0.3 16,-0.2 -0.910 63.1-150.8-133.4 162.2 65.2 6.3 48.5 50 50 A L E - D 0 64B 0 14,-2.5 14,-2.9 -2,-0.3 2,-0.5 -0.998 6.9-145.5-137.3 139.0 62.7 3.5 48.3 51 51 A I E -CD 43 63B 0 -8,-2.6 -9,-2.0 -2,-0.4 -8,-1.2 -0.902 18.7-163.0-106.9 127.7 61.4 1.5 45.3 52 52 A F E - D 0 62B 2 10,-3.4 10,-2.2 -2,-0.5 2,-1.7 -0.888 27.4-129.4-115.2 143.9 57.8 0.4 45.4 53 53 A P + 0 0 73 0, 0.0 2,-0.4 0, 0.0 8,-0.2 -0.296 64.1 137.1 -82.0 51.8 56.0 -2.3 43.4 54 54 A I - 0 0 21 -2,-1.7 2,-0.4 8,-0.1 -2,-0.1 -0.818 52.2-126.8-104.0 142.6 53.2 0.2 42.6 55 55 A E + 0 0 132 -2,-0.4 2,-0.4 -20,-0.1 -20,-0.3 -0.722 26.5 175.4 -91.1 133.1 51.7 0.7 39.2 56 56 A Y B > -G 59 0C 13 3,-2.0 3,-3.4 -2,-0.4 5,-0.1 -0.940 61.9 -60.1-137.6 113.4 51.5 4.1 37.5 57 57 A K T 3 S- 0 0 138 -2,-0.4 -1,-0.1 1,-0.3 -23,-0.0 -0.245 126.0 -8.8 47.4-125.7 50.1 4.2 34.0 58 58 A S T 3 S+ 0 0 116 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.340 120.4 95.2 -83.6 11.0 52.5 2.0 31.9 59 59 A Y B < -G 56 0C 82 -3,-3.4 -3,-2.0 1,-0.1 3,-0.1 -0.757 51.0-168.9-102.2 147.9 55.0 1.6 34.8 60 60 A N S S+ 0 0 117 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.405 74.2 42.7-112.5 -0.4 55.0 -1.3 37.3 61 61 A E - 0 0 61 -8,-0.2 42,-0.4 -5,-0.1 2,-0.4 -0.972 61.2-161.6-143.0 154.3 57.5 0.3 39.8 62 62 A V E -D 52 0B 2 -10,-2.2 -10,-3.4 -2,-0.3 2,-0.5 -0.995 6.3-154.4-142.3 133.1 58.0 3.7 41.4 63 63 A K E -De 51 104B 10 40,-2.5 42,-1.8 -2,-0.4 2,-0.5 -0.925 11.9-170.0-108.1 124.2 61.1 5.1 43.1 64 64 A T E -De 50 105B 1 -14,-2.9 -14,-2.5 -2,-0.5 2,-0.4 -0.958 10.9-145.7-115.9 133.9 60.6 7.8 45.6 65 65 A E E -De 49 106B 40 40,-2.8 42,-2.3 -2,-0.5 2,-0.3 -0.827 8.2-156.4-102.7 134.9 63.5 9.8 47.0 66 66 A L - 0 0 0 -18,-3.2 145,-0.2 -2,-0.4 144,-0.1 -0.758 30.2-110.6-105.5 154.0 63.7 11.1 50.6 67 67 A E S S- 0 0 131 143,-2.4 2,-0.3 -2,-0.3 144,-0.1 0.784 92.9 -6.3 -51.4 -37.1 65.8 14.0 51.9 68 68 A N S > S- 0 0 58 142,-0.3 4,-1.6 -20,-0.1 -1,-0.1 -0.960 74.6 -96.5-155.1 171.0 68.1 11.7 53.9 69 69 A T H > S+ 0 0 42 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.818 117.2 55.5 -62.2 -37.5 68.7 8.2 55.0 70 70 A E H > S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.924 108.0 49.4 -63.6 -42.9 67.1 8.6 58.4 71 71 A L H > S+ 0 0 35 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.884 111.7 50.6 -62.9 -38.0 63.9 9.8 56.8 72 72 A A H >X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 3,-1.7 0.942 104.9 55.0 -65.8 -48.9 64.0 6.8 54.5 73 73 A N H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 96.2 67.6 -55.9 -30.2 64.5 4.2 57.3 74 74 A N H 3< S+ 0 0 80 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.788 114.6 27.5 -61.7 -27.4 61.4 5.5 59.0 75 75 A Y H X< S+ 0 0 20 -3,-1.7 3,-1.8 -4,-0.5 -34,-0.3 0.637 93.3 117.3-107.8 -21.1 59.2 4.1 56.1 76 76 A K T 3< S+ 0 0 85 -4,-1.9 3,-0.1 1,-0.3 -26,-0.0 -0.157 86.8 3.0 -52.7 138.0 61.4 1.3 54.9 77 77 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 -36,-0.1 -1,-0.3 0.423 106.9 116.4 65.3 -1.6 59.9 -2.2 55.2 78 78 A K S < S- 0 0 95 -3,-1.8 2,-0.5 1,-0.0 -37,-0.4 -0.695 74.9-106.8-102.1 152.6 56.6 -0.8 56.5 79 79 A K + 0 0 120 -2,-0.3 33,-1.6 -39,-0.1 2,-0.3 -0.620 57.1 157.5 -75.3 122.8 53.1 -0.9 55.1 80 80 A V E -AB 39 111A 0 -41,-2.7 -41,-2.6 -2,-0.5 2,-0.3 -0.836 40.3-117.2-139.0 175.8 52.4 2.6 53.8 81 81 A D E - B 0 110A 17 29,-2.7 29,-1.6 -2,-0.3 2,-0.4 -0.877 27.9-147.4-115.1 152.0 50.3 4.7 51.4 82 82 A I E +AB 36 109A 2 -46,-2.2 -46,-2.7 -2,-0.3 2,-0.3 -0.965 23.6 162.9-127.9 138.6 51.8 6.7 48.6 83 83 A F E +A 35 0A 2 25,-1.8 2,-0.3 -2,-0.4 -48,-0.2 -0.836 25.3 132.5-152.2 111.0 50.8 10.0 46.9 84 84 A G E -A 34 0A 0 -50,-1.7 -50,-2.8 -2,-0.3 23,-0.1 -0.952 55.7-100.1-154.9 173.4 53.1 12.0 44.7 85 85 A V - 0 0 0 -2,-0.3 21,-0.4 21,-0.2 2,-0.1 -0.876 46.2-150.3 -97.4 115.9 54.0 13.9 41.6 86 86 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 19,-0.2 -0.483 15.2-173.2 -91.5 163.2 56.0 11.7 39.2 87 87 A Y B -F 104 0B 13 17,-2.1 17,-2.6 -2,-0.1 3,-0.0 -0.953 15.9-172.3-145.4 161.9 58.7 12.4 36.6 88 88 A F > + 0 0 82 -2,-0.3 3,-1.5 15,-0.2 2,-0.4 0.599 58.6 96.2-129.0 -30.0 60.6 10.4 34.0 89 89 A Y T 3 S+ 0 0 142 1,-0.3 114,-0.2 12,-0.1 3,-0.1 -0.579 106.5 4.2 -71.7 123.1 63.2 12.7 32.6 90 90 A T T 3 S+ 0 0 50 -2,-0.4 2,-0.6 1,-0.3 -1,-0.3 0.375 94.6 142.0 80.5 1.0 66.5 11.9 34.5 91 91 A a < - 0 0 6 -3,-1.5 2,-0.5 11,-0.2 11,-0.3 -0.623 27.3-177.4 -76.3 118.6 64.7 9.1 36.3 92 92 A I + 0 0 104 -2,-0.6 9,-0.2 9,-0.1 10,-0.0 -0.972 9.6 170.8-122.0 118.6 67.2 6.3 36.7 93 93 A I - 0 0 10 7,-2.4 -2,-0.0 -2,-0.5 10,-0.0 -0.860 24.8-143.0-130.7 97.6 66.1 3.0 38.4 94 94 A P - 0 0 46 0, 0.0 -2,-0.0 0, 0.0 7,-0.0 -0.313 29.0-109.5 -59.1 139.1 68.6 0.1 38.2 95 95 A K - 0 0 166 1,-0.1 0, 0.0 3,-0.1 0, 0.0 -0.230 15.7-123.3 -66.0 159.1 66.9 -3.2 37.7 96 96 A S S S+ 0 0 75 -53,-0.0 -1,-0.1 1,-0.0 0, 0.0 0.757 100.0 69.3 -74.2 -24.0 66.8 -5.8 40.6 97 97 A E 0 0 80 1,-0.0 -1,-0.0 0, 0.0 0, 0.0 0.942 360.0 360.0 -57.7-100.5 68.5 -8.3 38.2 98 98 A P 0 0 146 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 0.183 360.0 360.0-156.2 360.0 72.1 -7.4 37.3 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 104 A F 0 0 87 0, 0.0 -7,-2.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.9 67.4 2.5 33.1 101 105 A G + 0 0 70 -9,-0.2 2,-0.3 1,-0.1 -9,-0.1 0.012 360.0 130.8 -48.6 152.0 64.1 4.4 32.5 102 106 A G - 0 0 8 -11,-0.3 2,-0.5 -14,-0.3 -11,-0.2 -0.970 55.3 -73.0-177.4-169.2 61.4 4.5 35.1 103 107 A C - 0 0 1 -42,-0.4 -40,-2.5 -2,-0.3 2,-0.3 -0.956 47.3-178.7-115.8 123.6 59.0 6.5 37.2 104 108 A a E +eF 63 87B 0 -17,-2.6 -17,-2.1 -2,-0.5 2,-0.3 -0.787 9.6 159.8-121.4 163.7 60.4 8.7 40.0 105 109 A M E -e 64 0B 1 -42,-1.8 -40,-2.8 -2,-0.3 2,-0.3 -0.960 32.5-108.7-166.7 172.9 59.1 11.0 42.7 106 110 A Y E -e 65 0B 13 -21,-0.4 -21,-0.2 -42,-0.3 -40,-0.2 -0.872 68.5 -40.4-115.2 150.0 60.0 12.6 46.1 107 111 A G + 0 0 0 -42,-2.3 103,-0.1 -2,-0.3 -24,-0.1 0.033 64.1 145.1 36.8-128.2 58.6 11.8 49.5 108 112 A G + 0 0 1 101,-0.4 -25,-1.8 1,-0.2 2,-0.3 0.556 34.3 135.5 76.8 12.5 54.8 11.2 49.4 109 113 A L E +B 82 0A 0 -27,-0.2 2,-0.3 36,-0.1 -1,-0.2 -0.699 20.9 161.1-102.0 147.2 54.7 8.6 52.1 110 114 A T E -B 81 0A 8 -29,-1.6 -29,-2.7 -2,-0.3 2,-0.3 -0.948 45.2 -89.8-149.0 159.6 52.3 8.1 55.1 111 115 A F E -B 80 0A 101 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.3 -0.581 39.9-121.1 -80.2 139.1 51.5 5.0 57.2 112 116 A N + 0 0 53 -33,-1.6 2,-0.2 -2,-0.3 -33,-0.1 -0.586 44.3 152.9 -79.2 134.6 48.7 2.7 56.1 113 117 A S - 0 0 77 -2,-0.3 2,-0.8 3,-0.0 -1,-0.0 -0.722 54.4 -46.3-142.8-168.0 45.8 2.2 58.6 114 118 A S - 0 0 96 -2,-0.2 2,-0.1 1,-0.1 -2,-0.0 -0.614 64.8-120.4 -73.7 110.6 42.1 1.4 58.7 115 119 A E 0 0 72 -2,-0.8 -1,-0.1 27,-0.0 27,-0.1 -0.307 360.0 360.0 -53.6 122.5 40.6 3.6 56.0 116 120 A N 0 0 74 25,-0.3 27,-0.1 2,-0.1 -3,-0.0 -0.949 360.0 360.0 177.4 360.0 38.0 5.8 57.6 117 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 118 122 A R 0 0 94 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 127.8 35.0 10.0 56.2 119 123 A D - 0 0 86 1,-0.0 2,-0.4 20,-0.0 22,-0.2 -0.359 360.0-130.0 -71.7 157.0 37.0 12.2 53.8 120 124 A K E -H 140 0D 25 20,-2.8 20,-1.7 22,-0.1 2,-0.4 -0.889 15.5-149.7-110.5 142.1 38.2 15.5 55.0 121 125 A L E -H 139 0D 114 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.906 7.8-163.6-112.8 141.3 37.7 18.7 53.0 122 126 A I E -H 138 0D 9 16,-2.4 16,-2.1 -2,-0.4 2,-0.8 -0.989 14.0-140.8-126.1 132.4 40.0 21.6 53.0 123 127 A T E -H 137 0D 79 -2,-0.4 2,-0.5 14,-0.2 99,-0.5 -0.833 17.5-150.7 -94.0 111.3 39.2 25.1 51.7 124 128 A V E -H 136 0D 0 12,-2.5 12,-1.3 -2,-0.8 2,-0.5 -0.715 11.4-139.8 -83.8 125.9 42.2 26.5 49.9 125 129 A Q E -Hi 135 223D 85 97,-2.6 99,-3.8 -2,-0.5 2,-0.4 -0.740 17.7-166.9 -89.5 127.3 42.2 30.3 50.1 126 130 A V E -Hi 134 224D 1 8,-2.6 8,-2.7 -2,-0.5 2,-0.4 -0.946 6.7-176.7-118.1 133.9 43.3 32.2 47.0 127 131 A T E -Hi 133 225D 31 97,-2.8 99,-2.6 -2,-0.4 2,-0.5 -0.992 7.9-161.0-130.9 127.1 44.2 35.9 46.9 128 132 A I E >> S-Hi 132 226D 8 4,-2.6 3,-2.7 -2,-0.4 4,-1.8 -0.924 75.4 -22.8-110.6 128.4 45.0 37.8 43.7 129 133 A D T 34 S- 0 0 57 97,-2.8 -1,-0.2 -2,-0.5 98,-0.1 0.806 108.3 -80.0 41.0 39.5 47.0 41.1 43.8 130 134 A N T 34 S+ 0 0 134 96,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.619 126.9 80.4 47.0 16.8 45.7 41.4 47.4 131 135 A R T <4 S+ 0 0 77 -3,-2.7 2,-0.4 1,-0.2 -2,-0.2 0.779 80.4 52.5-112.8 -51.5 42.4 42.6 46.0 132 136 A Q E < -H 128 0D 112 -4,-1.8 -4,-2.6 2,-0.0 2,-0.4 -0.750 63.7-155.6 -98.2 136.2 40.3 39.7 44.9 133 137 A S E +H 127 0D 100 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.884 17.7 167.7-110.2 138.3 39.5 36.6 47.0 134 138 A L E -H 126 0D 43 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.3 -0.887 8.5-171.0-138.9 167.9 38.7 33.2 45.6 135 139 A G E +H 125 0D 46 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.987 9.7 170.9-163.2 152.8 38.3 29.7 47.2 136 140 A F E -H 124 0D 14 -12,-1.3 -12,-2.5 -2,-0.3 2,-0.4 -0.939 27.0-116.2-153.9 170.1 37.9 26.1 46.3 137 141 A T E -H 123 0D 77 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.910 18.5-172.1-121.7 147.1 38.0 22.7 48.1 138 142 A I E -H 122 0D 11 -16,-2.1 -16,-2.4 -2,-0.4 2,-0.3 -0.842 14.8-146.9-124.7 162.5 40.2 19.7 47.9 139 143 A T E +H 121 0D 56 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.960 18.7 170.8-137.2 154.8 39.8 16.3 49.6 140 144 A T E -H 120 0D 4 -20,-1.7 -20,-2.8 -2,-0.3 5,-0.0 -0.965 29.6-144.1-156.5 145.3 41.8 13.5 51.2 141 145 A N S S+ 0 0 59 -2,-0.3 -25,-0.3 -22,-0.2 2,-0.3 0.647 73.9 102.6 -85.7 -14.3 40.8 10.5 53.2 142 146 A K - 0 0 32 1,-0.1 75,-0.2 -22,-0.1 3,-0.2 -0.514 53.4-165.5 -77.9 130.4 44.0 10.8 55.2 143 147 A N S S+ 0 0 71 1,-0.3 74,-2.3 -2,-0.3 2,-0.7 0.883 95.7 41.0 -75.6 -41.2 44.1 12.3 58.8 144 148 A M E S+L 216 0E 132 72,-0.2 2,-0.3 -33,-0.1 -1,-0.3 -0.947 87.3 172.3-107.7 110.9 47.9 12.5 58.5 145 149 A V E -L 215 0E 0 70,-2.9 70,-3.1 -2,-0.7 2,-0.1 -0.939 32.5-111.9-125.9 145.5 48.6 13.7 54.9 146 150 A T E > -L 214 0E 2 -2,-0.3 4,-1.5 68,-0.3 68,-0.3 -0.394 22.6-125.6 -72.6 150.1 51.8 14.9 53.1 147 151 A I H > S+ 0 0 4 66,-2.5 4,-2.6 1,-0.2 5,-0.2 0.824 111.4 63.0 -61.5 -30.2 52.1 18.5 52.1 148 152 A Q H > S+ 0 0 5 65,-0.4 4,-2.8 2,-0.2 5,-0.3 0.918 99.0 50.2 -63.1 -45.3 52.7 17.1 48.6 149 153 A E H > S+ 0 0 4 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 115.6 43.6 -58.0 -49.3 49.3 15.5 48.3 150 154 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.869 113.8 50.5 -62.0 -41.1 47.7 18.8 49.3 151 155 A D H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.926 110.2 49.1 -65.8 -46.1 49.9 20.9 47.1 152 156 A Y H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.954 112.3 47.8 -58.3 -51.4 49.3 18.8 44.0 153 157 A K H X S+ 0 0 47 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.880 113.5 49.3 -58.1 -39.1 45.5 18.9 44.5 154 158 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.976 115.2 41.1 -65.7 -54.5 45.7 22.6 45.0 155 159 A R H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.803 110.3 59.7 -63.9 -31.1 47.8 23.4 41.9 156 160 A H H X S+ 0 0 46 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.932 109.0 43.3 -61.9 -47.3 45.8 20.9 39.8 157 161 A W H X>S+ 0 0 70 -4,-1.8 4,-3.5 -5,-0.2 5,-0.5 0.948 115.3 48.6 -63.6 -48.7 42.6 22.8 40.5 158 162 A L H X5S+ 0 0 2 -4,-2.3 6,-1.8 1,-0.2 4,-1.2 0.787 112.8 48.6 -63.0 -28.9 44.4 26.2 39.8 159 163 A T H X5S+ 0 0 10 -4,-2.0 4,-0.9 4,-0.3 -1,-0.2 0.933 118.0 39.3 -76.3 -47.0 45.9 24.9 36.6 160 164 A K H <5S+ 0 0 112 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.875 131.2 26.8 -70.2 -39.3 42.7 23.5 35.3 161 165 A E H <5S+ 0 0 110 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.810 133.8 26.6 -96.9 -31.0 40.4 26.3 36.5 162 166 A K H < - 0 0 34 4,-2.5 3,-1.5 -2,-0.4 39,-0.1 -0.373 35.5 -94.5 -87.1 169.7 49.7 24.3 60.8 182 186 A K T 3 S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 2,-0.0 0.853 121.9 60.9 -49.6 -43.4 47.7 24.2 64.0 183 187 A N T 3 S- 0 0 104 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.106 118.5-109.6 -76.7 25.9 50.7 25.4 66.1 184 188 A N S < S+ 0 0 83 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.503 75.9 135.2 61.4 5.9 50.8 28.6 64.1 185 189 A T - 0 0 74 -4,-0.0 -4,-2.5 -184,-0.0 2,-0.3 -0.599 32.4-175.4 -84.0 149.0 54.0 27.6 62.3 186 190 A S E +K 180 0D 31 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.975 19.5 177.1-147.1 159.9 54.2 28.2 58.6 187 191 A F E -K 179 0D 46 -8,-1.6 -8,-2.8 -2,-0.3 2,-0.3 -0.963 14.6-148.9-153.4 160.8 56.2 27.8 55.3 188 192 A W E -K 178 0D 63 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.866 6.7-143.7-136.1 169.0 55.8 28.5 51.6 189 193 A F E -K 177 0D 29 -12,-2.0 -12,-2.0 -2,-0.3 2,-0.4 -0.999 24.2-124.9-133.6 131.6 56.6 27.4 48.1 190 194 A D E -K 176 0D 32 -2,-0.4 -14,-0.3 -14,-0.2 -181,-0.0 -0.637 22.0-146.5 -72.3 130.5 57.3 29.6 45.1 191 195 A L S S+ 0 0 0 -16,-2.3 -1,-0.1 -2,-0.4 -15,-0.1 0.621 72.2 65.4 -76.8 -12.1 54.8 28.3 42.5 192 196 A F S S- 0 0 4 -17,-0.5 -182,-0.2 -182,-0.1 2,-0.1 -0.837 84.3-104.3-119.0 154.0 57.1 28.9 39.5 193 197 A P - 0 0 2 0, 0.0 -178,-0.1 0, 0.0 12,-0.1 -0.354 42.2 -97.3 -70.9 145.3 60.5 27.6 38.2 194 198 A K > - 0 0 35 1,-0.1 3,-2.2 -184,-0.1 -185,-0.0 -0.327 32.0-119.9 -60.1 141.2 63.8 29.5 38.5 195 199 A K T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -3,-0.1 -175,-0.0 0.751 112.9 61.6 -57.0 -22.1 64.6 31.4 35.3 196 200 A E T 3 S+ 0 0 123 1,-0.1 2,-2.0 -176,-0.0 -1,-0.3 0.626 74.8 101.5 -79.7 -14.2 67.8 29.3 35.2 197 201 A L < + 0 0 21 -3,-2.2 -1,-0.1 7,-0.0 -179,-0.0 -0.450 51.2 160.1 -78.5 75.2 66.0 25.9 34.9 198 202 A V + 0 0 55 -2,-2.0 2,-0.2 2,-0.1 -178,-0.1 -0.963 65.4 32.2-143.9 120.0 66.3 25.2 31.2 199 203 A P S S- 0 0 78 0, 0.0 2,-0.4 0, 0.0 -179,-0.1 0.596 111.4-109.4 -65.0 166.9 65.9 22.5 30.2 200 204 A F - 0 0 15 -2,-0.2 -2,-0.1 -179,-0.1 -3,-0.0 -0.575 34.6-164.0 -70.0 122.4 63.4 21.7 32.9 201 205 A V > - 0 0 18 -2,-0.4 3,-2.2 1,-0.1 4,-0.4 -0.918 7.6-156.4-111.5 105.0 65.1 19.3 35.3 202 206 A P G >> S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 3,-1.5 0.807 88.2 61.8 -50.8 -36.1 62.5 17.6 37.5 203 207 A Y G 34 S+ 0 0 103 1,-0.3 -113,-0.0 -114,-0.2 -98,-0.0 0.540 104.5 50.5 -73.0 -0.7 64.9 16.7 40.4 204 208 A K G <4 S+ 0 0 120 -3,-2.2 -1,-0.3 2,-0.1 -7,-0.0 0.399 118.5 36.4-110.8 -1.5 65.6 20.4 40.9 205 209 A F T X4 S+ 0 0 18 -3,-1.5 3,-0.8 -4,-0.4 -2,-0.2 0.738 120.2 40.8-112.6 -50.2 61.9 21.4 41.0 206 210 A L G >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.2 4,-0.2 0.589 86.7 94.0 -79.0 -11.3 60.1 18.5 42.8 207 211 A N G > + 0 0 79 -5,-0.4 3,-1.6 1,-0.3 4,-0.3 0.655 65.1 81.8 -57.9 -12.5 62.9 18.0 45.4 208 212 A I G < S+ 0 0 54 -3,-0.8 -1,-0.3 1,-0.3 3,-0.2 0.609 88.7 56.1 -67.6 -8.3 60.9 20.4 47.7 209 213 A Y G X S+ 0 0 5 -3,-2.4 3,-1.8 1,-0.2 -101,-0.4 0.491 79.3 92.0 -99.8 -5.7 58.8 17.2 48.5 210 214 A G T < S+ 0 0 3 -3,-1.6 -143,-2.4 1,-0.3 -142,-0.3 0.764 73.0 67.0 -60.3 -28.5 61.8 15.2 49.6 211 215 A D T 3 S- 0 0 65 -4,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.587 95.3-143.6 -69.4 -7.3 61.4 16.2 53.3 212 216 A N < - 0 0 7 -3,-1.8 -2,-0.1 1,-0.2 2,-0.1 0.883 22.8-164.1 45.4 45.7 58.2 14.2 53.1 213 217 A K - 0 0 73 -4,-0.1 -66,-2.5 -67,-0.1 -65,-0.4 -0.410 3.6-162.6 -63.2 131.5 56.5 16.8 55.4 214 218 A V E +L 146 0E 35 -68,-0.3 2,-0.3 -3,-0.1 -68,-0.3 -0.970 11.2 175.7-122.8 134.6 53.3 15.4 56.9 215 219 A V E -L 145 0E 5 -70,-3.1 -70,-2.9 -2,-0.4 2,-0.7 -0.821 39.1 -89.2-132.5 171.1 50.5 17.4 58.5 216 220 A D E >> -L 144 0E 68 -2,-0.3 4,-2.1 -72,-0.2 3,-1.0 -0.733 28.4-157.8 -84.3 115.5 47.0 17.0 60.0 217 221 A S T 34 S+ 0 0 2 -74,-2.3 -1,-0.2 -2,-0.7 -73,-0.1 0.778 88.4 62.4 -64.6 -27.6 44.4 17.4 57.3 218 222 A K T 34 S+ 0 0 144 -75,-0.5 -1,-0.2 1,-0.2 -97,-0.1 0.719 119.8 21.3 -72.6 -20.0 41.6 18.3 59.7 219 223 A S T <4 S+ 0 0 53 -3,-1.0 -2,-0.2 2,-0.0 -1,-0.2 0.570 88.5 120.6-123.9 -15.2 43.4 21.5 60.9 220 224 A I < - 0 0 13 -4,-2.1 2,-0.4 -39,-0.1 -39,-0.2 -0.182 48.6-146.3 -56.5 144.8 45.9 22.5 58.2 221 225 A K E - J 0 180D 102 -41,-2.2 -41,-2.3 -99,-0.1 2,-0.4 -0.938 12.0-167.0-115.9 136.6 45.5 26.0 56.6 222 226 A M E + J 0 179D 1 -99,-0.5 -97,-2.6 -2,-0.4 2,-0.4 -0.985 8.0 175.7-128.7 131.4 46.3 26.7 52.9 223 227 A E E -iJ 125 178D 37 -45,-2.4 -45,-3.6 -2,-0.4 2,-0.4 -0.998 11.0-161.1-134.9 136.1 46.6 30.1 51.3 224 228 A V E -iJ 126 177D 0 -99,-3.8 -97,-2.8 -2,-0.4 2,-0.5 -0.960 3.7-167.7-118.9 134.0 47.6 31.0 47.7 225 229 A F E -iJ 127 176D 34 -49,-2.6 -49,-2.3 -2,-0.4 2,-0.3 -0.986 9.4-178.9-123.5 125.1 48.8 34.4 46.7 226 230 A L E -iJ 128 175D 2 -99,-2.6 -97,-2.8 -2,-0.5 2,-0.4 -0.937 13.6-153.8-124.7 146.1 49.1 35.3 43.0 227 231 A N E - J 0 174D 28 -53,-2.8 -54,-3.2 -2,-0.3 -53,-1.4 -0.980 11.8-145.3-122.2 127.5 50.3 38.4 41.2 228 232 A T 0 0 57 -2,-0.4 -56,-0.2 -56,-0.2 -57,-0.0 -0.294 360.0 360.0 -81.1 171.5 49.1 39.4 37.8 229 233 A H 0 0 206 -58,-0.3 -1,-0.1 -2,-0.1 -56,-0.0 -0.521 360.0 360.0 -70.7 360.0 51.4 41.2 35.2