==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-JUN-09 3HO6 . COMPND 2 MOLECULE: TOXIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR R.N.PRUITT,D.B.LACY . 495 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 2 4 0 0 0 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 0 4 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 5 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 5 A G 0 0 130 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.2 48.4 27.0 24.3 2 6 A V - 0 0 87 1,-0.1 2,-0.9 2,-0.1 38,-0.1 -0.254 360.0-143.8 -53.9 124.1 50.9 24.4 23.0 3 7 A D > - 0 0 87 1,-0.1 3,-1.0 36,-0.1 38,-0.3 -0.822 19.5-179.6 -92.6 102.9 50.1 23.5 19.4 4 8 A F T 3 S+ 0 0 55 -2,-0.9 35,-1.1 1,-0.2 -1,-0.1 0.510 82.7 57.9 -78.0 -3.3 50.9 19.8 19.0 5 9 A N T 3 S+ 0 0 102 1,-0.1 -1,-0.2 33,-0.1 35,-0.1 0.153 70.2 103.4-110.2 16.9 49.9 20.1 15.4 6 10 A K < - 0 0 114 -3,-1.0 34,-0.2 33,-0.3 -1,-0.1 0.954 56.1-173.5 -62.2 -47.9 52.3 22.8 14.4 7 11 A N - 0 0 52 32,-2.4 2,-0.2 -4,-0.2 33,-0.1 0.905 7.2-160.8 55.2 48.5 54.5 20.2 12.6 8 12 A T - 0 0 40 31,-0.4 2,-0.2 1,-0.1 -1,-0.2 -0.457 18.8-125.2 -55.8 122.9 57.4 22.5 11.7 9 13 A A - 0 0 66 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.530 33.1 -90.9 -76.3 140.4 59.3 20.7 8.9 10 14 A L - 0 0 15 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.292 34.3-146.1 -51.9 126.8 63.0 20.1 9.5 11 15 A D > - 0 0 81 1,-0.2 4,-1.5 -3,-0.1 3,-0.2 -0.874 7.9-163.6 -97.5 107.0 65.0 23.0 8.1 12 16 A K H > S+ 0 0 74 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.872 88.8 52.6 -60.9 -36.4 68.2 21.3 6.8 13 17 A N H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.5 0.833 101.6 61.0 -71.4 -30.1 70.1 24.7 6.7 14 18 A Y H >>S+ 0 0 51 1,-0.2 5,-2.6 2,-0.2 4,-1.6 0.944 110.3 41.9 -58.5 -47.7 69.2 25.3 10.4 15 19 A L H <>S+ 0 0 0 -4,-1.5 5,-3.1 3,-0.2 -2,-0.2 0.953 119.7 41.3 -64.3 -51.8 71.0 22.1 11.3 16 20 A L H <5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.884 125.9 30.7 -66.3 -40.3 74.0 22.7 9.0 17 21 A N H <5S+ 0 0 107 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.665 135.5 12.7 -97.6 -20.4 74.6 26.4 9.6 18 22 A N T X5S+ 0 0 89 -4,-1.6 4,-2.0 -5,-0.5 -3,-0.2 0.710 124.6 39.0-120.8 -61.7 73.4 27.0 13.1 19 23 A K H > S- 0 0 2 -34,-0.2 4,-2.0 -36,-0.1 3,-0.2 -0.497 72.0-119.2 -82.7 155.7 55.0 20.7 19.0 41 48 A D H > S+ 0 0 56 -38,-0.3 4,-2.9 1,-0.2 5,-0.2 0.806 111.9 60.9 -68.7 -27.7 58.0 23.0 18.6 42 49 A I H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.956 108.4 44.2 -59.6 -47.7 59.5 21.9 21.9 43 50 A S H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.885 113.3 52.6 -59.5 -43.3 59.7 18.3 20.5 44 51 A Y H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.941 110.6 45.4 -60.1 -49.0 61.1 19.7 17.2 45 52 A E H X S+ 0 0 66 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.905 111.8 52.3 -64.4 -38.5 63.8 21.7 18.9 46 53 A A H X S+ 0 0 12 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.925 110.0 49.0 -60.5 -43.6 64.8 18.8 21.1 47 54 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.948 114.9 44.3 -60.5 -50.1 65.1 16.6 18.1 48 55 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 115.7 47.5 -59.0 -46.8 67.3 19.1 16.2 49 56 A N H X S+ 0 0 8 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.915 112.3 47.6 -68.3 -45.0 69.4 19.9 19.2 50 57 A L H >X S+ 0 0 21 -4,-2.7 4,-0.8 -5,-0.2 3,-0.6 0.927 113.9 48.0 -61.9 -43.3 70.0 16.3 20.1 51 58 A F H >< S+ 0 0 1 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.2 0.919 107.4 56.3 -59.4 -44.3 70.9 15.4 16.6 52 59 A S H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.678 97.6 61.7 -69.6 -19.5 73.3 18.3 16.2 53 60 A K H << S+ 0 0 52 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.831 125.8 13.8 -72.8 -31.7 75.4 17.3 19.2 54 61 A N S X< S+ 0 0 42 -3,-1.0 3,-0.7 -4,-0.8 4,-0.4 -0.542 76.8 160.0-140.5 67.4 76.4 14.0 17.5 55 62 A P G > + 0 0 1 0, 0.0 3,-0.7 0, 0.0 19,-0.7 0.776 62.4 65.6 -72.3 -24.9 75.4 14.4 13.9 56 63 A K G 3 S+ 0 0 151 1,-0.2 -4,-0.1 17,-0.1 22,-0.0 0.820 112.4 30.8 -69.1 -32.3 77.6 11.7 12.3 57 64 A N G < S+ 0 0 13 -3,-0.7 -25,-2.8 -6,-0.1 2,-0.3 0.284 105.4 91.4-109.2 9.7 75.9 8.7 14.0 58 65 A S E < -b 32 0A 0 -3,-0.7 16,-0.5 -4,-0.4 2,-0.4 -0.720 50.2-161.6-113.8 158.6 72.3 10.0 14.3 59 66 A I E -b 33 0A 0 -27,-2.4 -25,-3.1 -2,-0.3 2,-0.5 -0.994 10.9-147.0-134.5 131.8 69.2 9.9 12.3 60 67 A I E +bC 34 72A 0 12,-2.7 12,-2.4 -2,-0.4 2,-0.4 -0.928 15.3 179.3 -99.4 132.8 66.1 12.2 12.6 61 68 A I E -bC 35 71A 0 -27,-2.5 -25,-2.5 -2,-0.5 2,-1.5 -0.979 18.0-156.1-126.3 118.6 62.7 10.9 11.9 62 69 A Q E > +b 36 0A 3 8,-0.6 3,-2.0 -2,-0.4 -25,-0.1 -0.717 18.2 176.8 -89.6 85.5 59.7 13.3 12.3 63 70 A R G > S+ 0 0 15 -2,-1.5 3,-2.1 -27,-1.1 -26,-0.2 0.801 71.4 72.9 -66.6 -22.2 57.2 10.6 12.8 64 71 A N G 3 S+ 0 0 13 -28,-1.3 -1,-0.3 1,-0.3 3,-0.1 0.632 84.4 69.4 -62.2 -14.4 54.5 13.2 13.4 65 72 A M G X S- 0 0 32 -3,-2.0 3,-2.3 1,-0.2 -1,-0.3 0.485 83.0-173.0 -85.0 -4.5 54.7 13.9 9.6 66 73 A N G X + 0 0 38 -3,-2.1 3,-2.2 1,-0.3 -1,-0.2 -0.208 69.4 18.0 58.6-117.8 53.1 10.5 9.0 67 74 A E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.771 131.2 51.2 -62.8 -24.0 53.1 9.6 5.3 68 75 A S G < S+ 0 0 64 -3,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.360 81.6 125.8 -94.1 5.1 55.8 12.2 4.7 69 76 A A < + 0 0 12 -3,-2.2 17,-0.7 -6,-0.2 2,-0.3 -0.357 32.6 163.7 -63.9 140.4 58.1 10.9 7.5 70 77 A K E - D 0 85A 59 15,-0.2 -8,-0.6 -10,-0.1 2,-0.5 -0.962 41.6 -94.9-148.7 165.2 61.6 10.2 6.3 71 78 A S E -CD 61 84A 0 13,-1.9 13,-2.1 -2,-0.3 2,-0.4 -0.785 36.2-168.8 -81.1 127.6 65.1 9.5 7.7 72 79 A Y E +CD 60 83A 23 -12,-2.4 -12,-2.7 -2,-0.5 2,-0.3 -0.941 18.6 152.4-114.4 139.8 67.3 12.6 7.7 73 80 A F E - D 0 82A 9 9,-1.6 9,-2.5 -2,-0.4 2,-0.3 -0.955 44.8 -83.0-159.5 168.2 71.0 12.3 8.4 74 81 A L E - D 0 81A 10 -19,-0.7 7,-0.2 -16,-0.5 5,-0.0 -0.631 44.7-114.6 -83.2 138.7 74.4 13.8 7.7 75 82 A S > - 0 0 10 5,-2.6 3,-1.9 -2,-0.3 -1,-0.1 -0.247 32.1-104.9 -62.1 158.0 76.3 13.1 4.4 76 83 A D T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.835 124.2 46.1 -53.1 -35.7 79.6 11.2 4.6 77 84 A D T 3 S- 0 0 114 3,-0.0 -1,-0.3 1,-0.0 -2,-0.0 0.358 108.3-124.0 -94.3 5.1 81.4 14.6 4.0 78 85 A G S < S+ 0 0 31 -3,-1.9 -2,-0.1 2,-0.2 3,-0.0 0.451 84.5 103.0 75.8 1.1 79.4 16.6 6.5 79 86 A E S S+ 0 0 144 1,-0.1 2,-0.3 -5,-0.0 -1,-0.1 0.603 77.1 38.9 -96.2 -9.6 78.2 19.2 4.0 80 87 A S - 0 0 53 -64,-0.0 -5,-2.6 -5,-0.0 2,-0.6 -0.966 66.2-130.4-140.3 152.8 74.6 18.1 3.5 81 88 A I E -D 74 0A 9 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.1 -0.947 39.4-167.2 -97.9 115.6 71.6 16.7 5.2 82 89 A L E -D 73 0A 78 -9,-2.5 -9,-1.6 -2,-0.6 2,-0.3 -0.408 6.4-135.5 -97.1 175.7 70.5 13.7 3.1 83 90 A E E +D 72 0A 81 -11,-0.2 2,-0.3 -2,-0.1 -11,-0.2 -0.988 20.7 169.9-140.2 143.2 67.3 11.6 3.1 84 91 A L E -D 71 0A 68 -13,-2.1 -13,-1.9 -2,-0.3 3,-0.2 -0.869 50.2 -69.5-136.5 174.5 66.2 8.0 3.0 85 92 A N E > S-D 70 0A 134 -2,-0.3 3,-2.5 -15,-0.2 -15,-0.2 -0.265 80.6 -60.0 -62.7 156.6 62.8 6.3 3.5 86 93 A K T 3 S- 0 0 62 -17,-0.7 -1,-0.2 1,-0.3 3,-0.1 -0.096 122.3 -1.1 -43.0 121.9 61.5 6.3 7.0 87 94 A Y T 3 S+ 0 0 0 1,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.451 98.9 126.5 74.8 3.4 63.9 4.5 9.5 88 95 A R < - 0 0 71 -3,-2.5 -1,-0.3 49,-0.1 -4,-0.2 -0.599 44.0-152.7 -84.9 158.6 66.5 3.6 6.8 89 96 A I - 0 0 3 -2,-0.2 -4,-0.1 -3,-0.1 5,-0.0 -0.878 20.2 -92.8-131.1 157.4 70.1 4.6 7.3 90 97 A P > - 0 0 13 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.298 40.4-106.3 -67.9 160.2 73.2 5.3 5.1 91 98 A E G > S+ 0 0 148 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.836 114.6 64.6 -53.9 -39.4 75.6 2.6 4.1 92 99 A R G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.677 102.6 47.9 -65.3 -17.3 78.3 4.0 6.5 93 100 A L G X S+ 0 0 4 -3,-1.8 3,-1.2 1,-0.1 -1,-0.3 0.364 83.3 93.6-101.1 3.0 76.2 3.2 9.6 94 101 A K T < S+ 0 0 49 -3,-1.8 46,-0.5 -4,-0.3 -1,-0.1 0.618 80.7 56.1 -80.6 -8.7 75.2 -0.4 8.7 95 102 A N T 3 S+ 0 0 151 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.355 73.9 121.8-104.9 6.1 78.0 -2.1 10.6 96 103 A K < - 0 0 60 -3,-1.2 44,-0.3 1,-0.1 -66,-0.1 -0.371 55.5-147.1 -61.4 150.0 77.4 -0.5 14.0 97 104 A E S S+ 0 0 111 -68,-0.6 45,-3.0 44,-0.1 46,-1.1 0.414 74.8 52.2-106.1 0.2 76.8 -3.2 16.6 98 105 A K E -ae 30 143A 44 -69,-0.8 -67,-1.9 43,-0.2 2,-0.4 -0.990 62.1-155.4-135.1 146.4 74.3 -1.3 18.8 99 106 A V E -ae 31 144A 1 44,-2.2 46,-2.4 -2,-0.3 2,-0.5 -0.987 5.3-171.0-114.9 128.1 71.0 0.6 18.1 100 107 A K E -ae 32 145A 26 -69,-2.7 -67,-2.8 -2,-0.4 2,-0.5 -0.992 7.2-172.7-109.0 122.4 69.8 3.3 20.4 101 108 A V E -ae 33 146A 2 44,-3.0 46,-3.1 -2,-0.5 2,-0.5 -0.962 3.5-166.7-119.4 114.0 66.2 4.4 19.5 102 109 A T E -ae 34 147A 1 -69,-2.7 -67,-3.2 -2,-0.5 2,-0.7 -0.882 7.2-158.6-102.5 123.7 65.0 7.5 21.4 103 110 A F E -ae 35 148A 0 44,-2.8 46,-2.3 -2,-0.5 2,-0.6 -0.916 12.7-148.4 -96.8 114.6 61.3 8.3 21.3 104 111 A I E +ae 36 149A 7 -69,-2.7 -67,-1.5 -2,-0.7 -66,-0.5 -0.774 37.6 143.9 -85.2 118.9 60.9 12.0 22.1 105 112 A G - 0 0 9 44,-2.4 2,-0.4 -2,-0.6 46,-0.2 -0.939 50.5-106.0-144.8 167.0 57.6 12.4 23.9 106 113 A H - 0 0 62 -2,-0.3 11,-2.2 44,-0.2 12,-0.3 -0.829 28.6-162.4 -90.9 136.7 55.8 14.3 26.6 107 114 A G - 0 0 20 -2,-0.4 2,-0.2 9,-0.2 45,-0.2 -0.207 33.3 -89.4 -88.7-162.1 55.0 12.4 29.8 108 115 A K - 0 0 81 43,-0.5 -1,-0.1 2,-0.4 4,-0.1 -0.564 34.1 -98.6-107.1 174.5 52.4 13.8 32.1 109 116 A D S S+ 0 0 136 -2,-0.2 2,-0.3 2,-0.1 43,-0.1 0.769 111.6 33.1 -62.1 -23.3 52.5 16.3 35.0 110 117 A E S S- 0 0 109 41,-0.1 -2,-0.4 1,-0.1 0, 0.0 -0.902 104.2 -78.0-130.8 160.8 52.6 13.1 37.2 111 118 A F + 0 0 53 -2,-0.3 2,-0.3 -4,-0.1 42,-0.2 -0.219 54.6 176.3 -48.1 139.1 53.9 9.6 37.1 112 119 A N - 0 0 19 40,-1.3 52,-0.4 -4,-0.1 -4,-0.1 -0.978 31.9-160.5-150.1 159.5 51.7 7.4 35.0 113 120 A T S S+ 0 0 40 -2,-0.3 54,-0.1 50,-0.1 3,-0.1 0.364 81.5 62.2-118.5 0.2 51.7 3.8 33.7 114 121 A S S S+ 0 0 73 1,-0.2 7,-0.4 6,-0.1 2,-0.4 0.754 98.8 26.8-102.9 -37.0 49.3 4.0 30.8 115 122 A E - 0 0 38 5,-0.2 2,-0.4 6,-0.1 5,-0.2 -0.986 41.4-168.4-138.6 146.9 50.6 6.3 28.1 116 123 A F B > S-J 119 0B 0 3,-2.1 3,-2.0 -2,-0.4 -9,-0.2 -0.994 93.9 -7.7-126.1 124.3 53.8 7.8 26.7 117 124 A A T 3 S- 0 0 5 -11,-2.2 -10,-0.1 -2,-0.4 -1,-0.1 0.872 132.2 -59.5 56.2 34.4 53.3 10.8 24.2 118 125 A R T 3 S+ 0 0 75 -12,-0.3 2,-0.5 1,-0.2 346,-0.3 0.559 112.6 127.6 67.4 15.8 49.6 9.8 24.5 119 126 A L B < -J 116 0B 5 -3,-2.0 -3,-2.1 344,-0.1 -1,-0.2 -0.875 55.0-134.8-107.7 127.4 50.3 6.3 23.2 120 127 A S > - 0 0 33 -2,-0.5 4,-2.4 -5,-0.2 5,-0.3 -0.162 33.1-102.9 -62.3 166.0 49.3 3.1 25.0 121 128 A V H > S+ 0 0 23 -7,-0.4 4,-2.8 1,-0.2 5,-0.2 0.922 124.9 51.5 -56.2 -44.4 51.8 0.3 25.4 122 129 A D H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 110.1 48.2 -61.5 -46.2 50.0 -1.5 22.5 123 130 A S H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 115.4 42.1 -60.2 -49.0 50.2 1.5 20.2 124 131 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.881 112.5 55.7 -69.2 -37.0 53.9 2.2 20.8 125 132 A S H X S+ 0 0 12 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.913 106.4 51.1 -57.7 -44.0 54.7 -1.5 20.6 126 133 A N H X S+ 0 0 94 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.897 110.0 48.6 -64.3 -38.5 53.0 -1.7 17.2 127 134 A E H X S+ 0 0 10 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.913 109.8 52.5 -66.0 -38.0 55.1 1.3 16.0 128 135 A I H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.881 105.1 55.4 -64.5 -37.1 58.2 -0.4 17.3 129 136 A S H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 109.8 46.3 -59.3 -43.0 57.3 -3.6 15.4 130 137 A S H X S+ 0 0 44 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.925 112.5 51.0 -66.1 -44.2 57.1 -1.5 12.1 131 138 A F H >X S+ 0 0 4 -4,-2.6 4,-3.0 2,-0.2 3,-0.5 0.927 110.6 48.2 -54.0 -51.2 60.5 0.1 13.1 132 139 A L H 3X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.905 108.4 53.6 -62.2 -43.5 62.1 -3.3 13.7 133 140 A D H 3< S+ 0 0 57 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.755 114.6 44.1 -62.3 -25.1 60.8 -4.7 10.4 134 141 A T H X< S+ 0 0 30 -4,-1.2 3,-1.8 -3,-0.5 4,-0.3 0.904 110.9 48.7 -85.5 -50.2 62.4 -1.7 8.6 135 142 A I H >X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.3 3,-2.2 0.803 97.0 71.2 -67.4 -23.7 65.8 -1.4 10.3 136 143 A K T 3< S+ 0 0 96 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.722 87.5 66.7 -63.0 -15.7 66.5 -5.1 9.8 137 144 A L T <4 S+ 0 0 107 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.724 117.3 23.7 -72.8 -19.4 66.9 -4.3 6.1 138 145 A D T <4 S+ 0 0 16 -3,-2.2 2,-0.3 -4,-0.3 -2,-0.2 0.708 122.4 29.0-112.7 -37.6 70.0 -2.3 7.1 139 146 A I < - 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