==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 06-JUL-04 1TY0 . COMPND 2 MOLECULE: PUTATIVE EXOTOXIN (SUPERANTIGEN); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR H.M.BAKER,T.PROFT,P.D.WEBB,V.L.ARCUS,J.D.FRASER,E.N.BAKER . 626 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 25.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 59 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 3 3 0 0 0 0 1 0 0 0 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 6 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 6 5 6 4 0 3 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 . 3 0 0 3 0 3 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 K 0 0 137 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.9 33.3 44.1 -16.5 2 2 A S - 0 0 59 1,-0.1 4,-0.1 2,-0.0 0, 0.0 -0.996 360.0-155.8-164.6 160.8 37.1 43.7 -16.5 3 3 A D S S+ 0 0 175 -2,-0.3 4,-0.2 2,-0.1 3,-0.1 0.397 99.9 52.3-117.4 -6.3 40.1 41.7 -17.6 4 4 A S S > S+ 0 0 47 1,-0.1 4,-1.4 2,-0.1 5,-0.1 0.264 76.4 100.4-113.3 10.0 42.4 42.8 -14.8 5 5 A E H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.863 81.1 52.7 -63.9 -37.2 40.1 42.1 -11.9 6 6 A N H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 106.1 50.1 -66.7 -47.7 42.0 38.8 -11.1 7 7 A I H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 109.0 55.3 -61.1 -30.6 45.5 40.3 -10.9 8 8 A K H X S+ 0 0 70 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.928 108.7 45.9 -66.2 -44.1 44.0 43.0 -8.6 9 9 A D H X S+ 0 0 55 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.854 111.4 53.3 -65.8 -35.5 42.7 40.3 -6.2 10 10 A V H X S+ 0 0 8 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.925 109.2 48.5 -64.6 -44.5 46.0 38.5 -6.4 11 11 A K H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.881 108.0 55.7 -64.2 -36.6 47.9 41.6 -5.5 12 12 A L H X S+ 0 0 79 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 106.9 48.8 -63.0 -42.4 45.4 42.1 -2.6 13 13 A Q H X S+ 0 0 33 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.876 114.2 46.8 -64.6 -37.1 46.2 38.7 -1.2 14 14 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.892 108.8 53.4 -72.1 -40.0 50.0 39.4 -1.4 15 15 A N H X S+ 0 0 57 -4,-2.8 4,-0.8 134,-0.3 -2,-0.2 0.928 114.0 43.4 -61.7 -43.6 49.8 42.8 0.1 16 16 A Y H >< S+ 0 0 39 -4,-2.1 3,-0.7 -5,-0.2 -2,-0.2 0.933 112.1 52.8 -66.3 -47.3 48.0 41.4 3.1 17 17 A A H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.2 39.6 -56.4 -45.2 50.2 38.3 3.4 18 18 A Y H 3< S+ 0 0 0 -4,-2.4 2,-1.9 1,-0.1 -1,-0.2 0.486 88.3 91.5 -87.9 -3.7 53.5 40.4 3.5 19 19 A E S << S+ 0 0 37 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.1 -0.625 74.0 112.6 -87.5 77.5 52.2 43.3 5.7 20 20 A I S S- 0 0 1 -2,-1.9 212,-0.1 212,-0.1 -3,-0.0 -0.959 72.6-112.3-149.1 161.5 53.5 41.4 8.7 21 21 A I - 0 0 16 -2,-0.3 212,-0.1 267,-0.0 2,-0.1 -0.869 40.7-132.8 -97.9 125.2 56.0 41.4 11.5 22 22 A P - 0 0 26 0, 0.0 2,-0.8 0, 0.0 53,-0.2 -0.339 15.9-110.5 -79.7 160.1 58.6 38.5 11.2 23 23 A V E +A 74 0A 2 51,-3.2 51,-2.1 -2,-0.1 2,-0.5 -0.817 48.3 175.9 -85.5 111.9 59.8 36.1 13.8 24 24 A D E +A 73 0A 70 -2,-0.8 2,-0.3 49,-0.2 49,-0.2 -0.926 10.5 145.5-130.3 105.4 63.4 37.4 14.2 25 25 A Y E -A 72 0A 40 47,-2.0 47,-3.5 -2,-0.5 2,-0.3 -0.999 27.3-150.3-141.1 142.4 65.7 35.9 16.8 26 26 A T E + 0 0 47 -2,-0.3 45,-0.2 45,-0.2 -2,-0.0 -0.836 67.6 13.4-118.2 152.7 69.5 35.2 16.8 27 27 A N E S+ 0 0 94 -2,-0.3 2,-0.3 1,-0.2 44,-0.2 0.931 79.0 163.5 56.0 55.9 71.8 32.7 18.4 28 28 A C E -A 70 0A 4 42,-3.4 42,-3.0 -3,-0.2 2,-0.3 -0.794 36.9-114.8-105.8 146.5 69.0 30.3 19.5 29 29 A N E -AB 69 41A 29 12,-0.6 12,-2.5 -2,-0.3 2,-1.0 -0.609 15.8-131.0 -85.6 134.4 69.5 26.7 20.5 30 30 A I E - B 0 40A 0 38,-2.1 37,-3.5 -2,-0.3 10,-0.2 -0.725 27.4-179.7 -79.9 106.4 68.1 23.8 18.5 31 31 A D E - 0 0 82 8,-1.9 2,-0.3 -2,-1.0 -1,-0.2 0.847 63.4 -1.0 -77.8 -35.5 66.4 21.8 21.3 32 32 A Y E - B 0 39A 132 7,-1.7 7,-2.6 -3,-0.1 2,-0.4 -0.994 56.7-153.0-157.0 150.1 65.1 19.0 19.0 33 33 A L E + B 0 38A 31 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.992 13.8 179.0-128.1 127.1 65.1 17.9 15.4 34 34 A T - 0 0 45 3,-2.5 27,-0.1 -2,-0.4 5,-0.0 -0.539 52.4 -83.4-111.5-176.5 62.4 15.7 13.7 35 35 A T S S+ 0 0 104 1,-0.2 26,-0.4 -2,-0.2 25,-0.4 0.818 125.2 8.2 -59.8 -31.4 62.3 14.6 10.1 36 36 A H S S+ 0 0 62 22,-0.1 20,-3.0 24,-0.1 2,-0.4 0.279 117.8 72.9-135.6 11.5 60.7 17.8 9.0 37 37 A D E - C 0 55A 23 18,-0.2 -3,-2.5 51,-0.1 2,-0.5 -0.986 53.3-153.0-136.5 143.7 60.7 20.2 12.0 38 38 A F E -BC 33 54A 0 16,-2.3 16,-2.2 -2,-0.4 2,-0.7 -0.920 13.0-159.0-104.3 131.2 63.2 22.3 13.9 39 39 A Y E -BC 32 53A 86 -7,-2.6 -8,-1.9 -2,-0.5 -7,-1.7 -0.930 20.1-176.8-114.6 104.7 62.2 22.9 17.6 40 40 A I E -BC 30 52A 1 12,-2.6 12,-2.4 -2,-0.7 2,-0.4 -0.858 21.5-130.6-109.8 135.9 64.1 26.0 18.7 41 41 A D E +BC 29 51A 45 -12,-2.5 -12,-0.6 -2,-0.4 10,-0.2 -0.678 33.0 159.7 -86.8 127.7 64.2 27.6 22.1 42 42 A I >> + 0 0 0 8,-2.5 4,-1.5 -2,-0.4 3,-1.2 0.096 37.8 120.5-127.6 20.2 63.7 31.4 22.4 43 43 A S H 3>> + 0 0 23 7,-0.6 4,-2.6 1,-0.3 5,-1.0 0.832 67.7 61.7 -53.7 -38.9 62.7 31.3 26.1 44 44 A S H 345S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.833 106.7 45.7 -59.0 -34.5 65.6 33.6 27.1 45 45 A Y H <45S+ 0 0 99 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.849 119.7 39.7 -75.6 -37.4 64.1 36.4 24.8 46 46 A K H <5S- 0 0 51 -4,-1.5 -2,-0.2 2,-0.3 -1,-0.2 0.659 97.6-133.2 -87.1 -20.4 60.6 35.9 26.1 47 47 A K T <5S+ 0 0 173 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.849 83.2 63.3 65.5 35.1 61.4 35.3 29.8 48 48 A K S - 0 0 88 134,-2.5 3,-0.6 -2,-0.2 4,-0.4 -0.244 66.0 -66.3 -75.6 169.9 61.0 20.0 3.3 58 58 A S T 3 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.1 -22,-0.1 -0.151 114.2 19.3 -58.9 152.0 62.8 16.6 3.5 59 59 A Y T 3 S+ 0 0 165 -24,-0.3 -1,-0.2 -3,-0.1 525,-0.1 0.807 93.6 100.5 56.8 39.7 66.5 16.3 4.2 60 60 A I S X S+ 0 0 12 -3,-0.6 3,-1.8 -25,-0.4 4,-0.3 0.697 77.5 50.2-113.6 -48.1 67.0 19.8 5.7 61 61 A T G > S+ 0 0 7 -26,-0.4 3,-1.6 -4,-0.4 -25,-0.1 0.768 99.6 69.2 -64.5 -22.5 67.0 19.0 9.4 62 62 A T G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -27,-0.2 -2,-0.1 0.707 89.3 63.7 -67.5 -17.8 69.6 16.4 8.6 63 63 A K G < S+ 0 0 150 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.588 104.6 55.9 -79.9 -11.4 72.0 19.3 7.8 64 64 A F S < S- 0 0 19 -3,-1.6 2,-0.3 -4,-0.3 -31,-0.0 -0.645 70.7-144.9-116.2 172.8 71.8 20.4 11.4 65 65 A T > - 0 0 90 -2,-0.2 3,-1.5 -33,-0.0 -35,-0.2 -0.982 33.5 -87.7-138.9 149.8 72.4 18.8 14.9 66 66 A K T 3 S+ 0 0 120 -2,-0.3 -35,-0.2 1,-0.2 3,-0.1 -0.227 110.9 20.2 -56.7 145.7 70.7 19.2 18.3 67 67 A N T 3 S+ 0 0 107 -37,-3.5 2,-0.3 1,-0.3 -1,-0.2 0.579 87.9 136.9 68.8 15.0 72.1 22.0 20.5 68 68 A Q < - 0 0 52 -3,-1.5 -38,-2.1 -38,-0.2 2,-0.4 -0.634 58.5-116.8 -84.2 147.9 73.6 23.8 17.5 69 69 A K E +A 29 0A 87 -2,-0.3 25,-2.2 25,-0.2 2,-0.3 -0.734 41.0 175.5 -89.8 136.7 73.0 27.5 17.6 70 70 A V E -AE 28 93A 0 -42,-3.0 -42,-3.4 -2,-0.4 2,-0.3 -0.918 27.7-126.1-138.0 163.6 70.9 29.0 14.8 71 71 A N E - E 0 92A 0 21,-2.8 21,-2.1 -2,-0.3 2,-0.4 -0.848 22.9-149.2-107.8 148.3 69.3 32.3 13.7 72 72 A I E +AE 25 91A 0 -47,-3.5 -47,-2.0 -2,-0.3 2,-0.2 -0.971 27.2 158.1-123.8 130.3 65.6 32.5 12.9 73 73 A F E +A 24 0A 4 17,-1.9 2,-0.3 -2,-0.4 -49,-0.2 -0.744 28.4 141.6-147.2 93.9 64.0 34.8 10.4 74 74 A G E -A 23 0A 0 -51,-2.1 -51,-3.2 -2,-0.2 15,-0.1 -0.969 49.4-120.8-138.7 153.7 60.6 33.5 9.4 75 75 A L - 0 0 0 -2,-0.3 13,-0.5 13,-0.3 2,-0.1 -0.820 33.6-124.9 -95.3 122.5 57.1 34.7 8.6 76 76 A P - 0 0 2 0, 0.0 11,-0.2 0, 0.0 3,-0.1 -0.438 24.8-175.9 -66.4 136.3 54.4 33.3 10.9 77 77 A Y + 0 0 35 9,-1.6 107,-0.4 1,-0.3 2,-0.3 0.542 66.4 13.7-109.5 -10.7 51.6 31.6 9.0 78 78 A I B -F 86 0A 76 8,-0.6 8,-0.6 105,-0.1 2,-0.3 -0.979 61.6-145.2-161.1 151.4 49.3 30.8 11.9 79 79 A F - 0 0 31 -2,-0.3 2,-0.3 -3,-0.1 6,-0.1 -0.924 18.3-179.7-121.0 146.8 48.8 31.6 15.6 80 80 A T - 0 0 46 2,-0.4 4,-0.2 4,-0.4 274,-0.0 -0.823 46.4 -95.5-135.1 177.0 47.6 29.3 18.3 81 81 A R S S+ 0 0 197 -2,-0.3 2,-0.2 2,-0.1 269,-0.0 0.613 97.2 92.6 -70.7 -10.7 46.9 29.5 22.0 82 82 A Y S S- 0 0 132 2,-0.1 2,-2.1 1,-0.1 -2,-0.4 -0.500 88.1-113.9 -87.8 154.4 50.4 28.1 22.7 83 83 A D S S+ 0 0 76 -2,-0.2 -32,-1.6 -34,-0.1 2,-0.3 -0.497 81.9 106.6 -85.1 70.2 53.6 30.0 23.2 84 84 A V E -d 51 0A 29 -2,-2.1 2,-0.4 -34,-0.2 -4,-0.4 -0.986 62.7-139.2-147.1 136.4 55.1 28.7 20.0 85 85 A Y E -d 52 0A 28 -34,-2.1 -32,-3.0 -2,-0.3 2,-0.6 -0.854 17.0-148.6 -98.2 137.4 55.7 30.5 16.7 86 86 A Y E +dF 53 78A 49 -8,-0.6 -9,-1.6 -2,-0.4 -8,-0.6 -0.925 30.9 150.5-111.7 117.2 55.0 28.6 13.6 87 87 A I E -d 54 0A 0 -34,-2.1 -32,-2.4 -2,-0.6 2,-0.5 -0.871 43.3-118.5-136.8 168.4 57.1 29.3 10.5 88 88 A Y E S-d 55 0A 5 -13,-0.5 -13,-0.3 -2,-0.3 -32,-0.2 -0.960 74.7 -42.7-111.2 127.1 58.4 27.5 7.4 89 89 A G S S+ 0 0 0 -34,-1.5 102,-0.1 -2,-0.5 3,-0.1 -0.233 71.9 138.1 56.1-139.0 62.2 27.4 7.1 90 90 A G + 0 0 1 100,-0.4 -17,-1.9 1,-0.2 2,-0.5 0.605 39.4 132.2 73.8 15.0 64.0 30.6 8.0 91 91 A V E +E 72 0A 1 -19,-0.2 -1,-0.2 38,-0.1 -19,-0.2 -0.875 25.6 165.9-109.0 124.0 66.7 28.7 9.9 92 92 A T E -E 71 0A 2 -21,-2.1 -21,-2.8 -2,-0.5 2,-0.1 -0.928 42.6 -94.6-131.5 154.9 70.4 29.3 9.4 93 93 A P E -E 70 0A 33 0, 0.0 2,-0.8 0, 0.0 -23,-0.3 -0.458 32.7-136.0 -67.9 137.0 73.6 28.4 11.3 94 94 A S + 0 0 21 -25,-2.2 -25,-0.2 -66,-0.1 3,-0.0 -0.872 36.0 163.3 -94.4 110.0 74.7 31.1 13.8 95 95 A V - 0 0 91 -2,-0.8 2,-0.2 33,-0.1 -1,-0.1 0.437 56.0 -5.8-110.7 -0.8 78.4 31.3 13.2 96 96 A N S S- 0 0 63 0, 0.0 -69,-0.1 0, 0.0 30,-0.0 -0.849 101.5 -47.0-163.8-159.6 79.4 34.6 14.7 97 97 A S - 0 0 91 -2,-0.2 29,-0.0 1,-0.1 -3,-0.0 0.502 66.7-132.4 -67.3 -3.4 78.3 37.9 16.4 98 98 A N S S+ 0 0 20 1,-0.1 28,-0.1 -27,-0.0 27,-0.1 0.928 70.9 121.1 49.2 53.2 75.7 38.2 13.6 99 99 A S + 0 0 61 25,-0.1 27,-0.2 2,-0.0 -1,-0.1 -0.212 32.9 161.4-137.6 42.2 76.6 41.8 13.1 100 100 A E - 0 0 60 25,-3.9 24,-0.0 1,-0.1 26,-0.0 -0.374 24.5-165.4 -67.0 142.9 77.6 41.8 9.4 101 101 A N + 0 0 126 -2,-0.1 2,-0.3 22,-0.0 24,-0.1 -0.449 30.0 154.1-127.7 56.9 77.7 45.2 7.7 102 102 A S - 0 0 49 22,-0.5 22,-0.3 1,-0.1 2,-0.3 -0.620 45.5-112.3 -88.7 146.8 77.9 44.1 4.1 103 103 A K - 0 0 129 -2,-0.3 2,-0.6 20,-0.1 20,-0.1 -0.599 23.7-157.3 -81.3 133.5 76.6 46.2 1.2 104 104 A I + 0 0 0 -2,-0.3 16,-2.8 18,-0.2 2,-0.4 -0.946 17.0 176.2-115.6 113.2 73.6 45.0 -0.7 105 105 A V E +G 119 0B 39 -2,-0.6 99,-1.2 97,-0.3 2,-0.3 -0.899 3.0 164.3-118.4 145.4 73.2 46.4 -4.2 106 106 A G E -Gh 118 204B 0 12,-2.2 12,-2.7 -2,-0.4 2,-0.4 -0.967 31.1-116.8-153.3 168.5 70.7 45.6 -6.9 107 107 A N E -Gh 117 205B 42 97,-2.3 99,-3.0 -2,-0.3 2,-0.6 -0.904 15.7-152.6-113.1 138.4 69.1 46.7 -10.2 108 108 A L E -Gh 116 206B 0 8,-2.4 7,-3.2 -2,-0.4 8,-1.1 -0.934 18.6-177.9-112.2 109.4 65.5 47.7 -10.6 109 109 A L E -Gh 114 207B 28 97,-3.4 99,-3.2 -2,-0.6 2,-0.5 -0.903 9.2-169.1-111.0 136.4 64.2 47.1 -14.2 110 110 A I E > S-Gh 113 208B 23 3,-2.3 3,-1.3 -2,-0.4 99,-0.2 -0.987 77.3 -10.8-126.5 120.7 60.7 47.9 -15.4 111 111 A D T 3 S- 0 0 71 97,-2.8 -1,-0.2 -2,-0.5 98,-0.1 0.904 131.6 -52.9 57.1 44.4 59.6 46.6 -18.8 112 112 A G T 3 S+ 0 0 46 96,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.467 115.7 110.5 74.6 3.2 63.1 45.5 -19.6 113 113 A V E < S-G 110 0B 89 -3,-1.3 -3,-2.3 0, 0.0 -1,-0.2 -0.945 71.8-116.6-119.4 129.1 64.7 48.9 -18.8 114 114 A Q E +G 109 0B 78 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.355 32.8 174.3 -58.0 126.2 67.0 49.7 -15.9 115 115 A Q E - 0 0 105 -7,-3.2 2,-0.3 1,-0.4 -6,-0.2 0.766 59.5 -20.6-104.2 -37.9 65.4 52.4 -13.8 116 116 A K E -G 108 0B 120 -8,-1.1 -8,-2.4 2,-0.0 2,-0.7 -0.977 52.5-115.8-169.6 155.7 67.8 52.6 -10.9 117 117 A T E -G 107 0B 66 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.907 36.5-141.7 -99.5 116.0 70.6 50.9 -9.0 118 118 A L E -G 106 0B 2 -12,-2.7 -12,-2.2 -2,-0.7 2,-0.6 -0.699 12.3-160.2 -83.8 124.8 69.3 50.3 -5.4 119 119 A I E S-G 105 0B 107 -2,-0.5 -14,-0.2 -14,-0.2 -2,-0.0 -0.922 70.9 -26.3-109.7 115.8 72.0 50.8 -2.7 120 120 A N S S+ 0 0 82 -16,-2.8 -1,-0.2 -2,-0.6 -15,-0.1 0.900 75.1 160.7 49.2 49.3 71.3 49.1 0.6 121 121 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.802 74.2 18.4 -67.1 -26.5 67.5 49.1 0.0 122 122 A I S S- 0 0 14 -18,-0.2 2,-0.4 2,-0.0 -18,-0.2 -0.891 78.8-137.1-136.1 164.6 67.4 46.4 2.7 123 123 A K - 0 0 118 -2,-0.3 2,-0.4 -20,-0.1 -20,-0.1 -0.992 13.3-175.8-133.2 136.6 69.8 45.3 5.4 124 124 A I - 0 0 1 -2,-0.4 -22,-0.5 -22,-0.3 -25,-0.1 -0.988 3.0-174.7-130.3 119.1 70.9 41.8 6.5 125 125 A D + 0 0 53 -2,-0.4 -25,-3.9 -27,-0.1 -1,-0.1 0.550 57.7 89.1 -91.6 -11.0 73.3 41.5 9.4 126 126 A K S S- 0 0 12 -27,-0.2 72,-0.1 -28,-0.1 3,-0.1 -0.683 70.5-139.5 -91.7 144.1 73.9 37.7 9.4 127 127 A P S S+ 0 0 22 0, 0.0 71,-2.7 0, 0.0 72,-0.5 0.701 97.3 39.0 -70.5 -21.7 76.7 36.2 7.3 128 128 A I E S+K 197 0C 28 69,-0.2 2,-0.3 -35,-0.2 69,-0.2 -0.998 80.9 170.6-130.6 123.6 74.4 33.3 6.2 129 129 A F E -K 196 0C 0 67,-2.7 67,-3.2 -2,-0.4 2,-0.2 -0.937 31.1-112.4-137.6 159.4 70.8 34.1 5.5 130 130 A T E > -K 195 0C 3 -2,-0.3 4,-1.8 65,-0.2 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