==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-DEC-05 2CA8 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 28 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA HAEMATOBIUM; . AUTHOR P.BAIOCCO,L.J.GOURLAY,F.ANGELUCCI,A.BELLELLI,A.E.MIELE,M.BRU . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.8 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 . 1 0.5 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 . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 1 1 2 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A D 0 0 146 0, 0.0 2,-0.5 0, 0.0 56,-0.2 0.000 360.0 360.0 360.0 139.7 1.3 33.1 32.7 2 5 A H E -A 56 0A 89 54,-3.3 54,-2.6 26,-0.0 2,-0.5 -0.906 360.0-162.3-102.8 126.1 3.5 30.4 31.4 3 6 A I E -A 55 0A 17 -2,-0.5 26,-3.3 24,-0.3 2,-0.5 -0.929 5.6-172.6-113.8 121.9 2.7 26.9 32.8 4 7 A K E -Ab 54 29A 43 50,-2.1 50,-2.4 -2,-0.5 2,-0.6 -0.955 8.5-158.8-117.9 121.3 5.3 24.1 32.6 5 8 A V E -Ab 53 30A 0 24,-2.8 26,-2.0 -2,-0.5 2,-0.5 -0.891 11.0-162.6 -98.9 122.0 4.4 20.6 33.5 6 9 A I E +Ab 52 31A 3 46,-3.0 46,-2.1 -2,-0.6 2,-0.2 -0.937 30.2 123.1-112.0 120.9 7.4 18.5 34.4 7 10 A Y E - b 0 32A 21 24,-2.0 26,-2.5 -2,-0.5 2,-0.1 -0.860 57.3 -82.4-152.3-177.8 7.2 14.7 34.5 8 11 A F E - b 0 33A 31 -2,-0.2 2,-2.0 24,-0.2 26,-0.1 -0.255 66.3 -70.3 -83.6 176.0 8.8 11.5 33.0 9 12 A N S S+ 0 0 95 24,-0.6 2,-0.3 23,-0.1 199,-0.3 -0.510 102.5 60.6 -73.3 81.8 7.9 10.1 29.5 10 13 A G S S- 0 0 0 -2,-2.0 4,-0.1 1,-0.2 195,-0.0 -0.981 86.4 -97.6-179.8 176.5 4.4 8.8 30.4 11 14 A R S > S+ 0 0 14 -2,-0.3 4,-1.6 3,-0.1 3,-0.5 0.968 75.7 117.5 -70.5 -62.2 0.9 9.3 31.6 12 15 A G T >4 S- 0 0 12 196,-3.0 3,-0.7 1,-0.2 4,-0.3 0.201 89.7 -19.9 32.6-138.6 1.5 8.3 35.2 13 16 A R T 34 S+ 0 0 52 1,-0.2 3,-0.5 2,-0.1 4,-0.4 0.713 133.7 61.2 -73.1 -24.4 0.8 10.9 38.0 14 17 A A T >> S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 3,-0.5 0.658 81.6 84.7 -76.1 -15.0 1.0 13.9 35.6 15 18 A E H S+ 0 0 10 -3,-0.5 4,-1.7 -4,-0.3 -1,-0.3 0.863 110.6 48.9 -66.8 -35.2 -4.6 14.3 35.8 17 20 A I H <> S+ 0 0 2 -3,-0.5 4,-2.4 -4,-0.4 5,-0.2 0.926 112.1 46.9 -66.7 -46.9 -2.9 17.7 35.5 18 21 A R H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.948 114.4 46.8 -62.4 -48.5 -2.5 17.6 31.7 19 22 A M H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.857 110.1 53.3 -61.8 -40.9 -6.1 16.5 31.2 20 23 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.975 113.9 42.4 -57.4 -58.1 -7.4 19.2 33.6 21 24 A L H X>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 4,-1.9 0.915 115.7 49.5 -51.9 -50.7 -5.5 21.9 31.7 22 25 A V H <5S+ 0 0 20 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.954 113.9 44.8 -55.7 -53.4 -6.5 20.5 28.4 23 26 A A H <5S+ 0 0 6 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.5 50.9 -59.4 -38.9 -10.2 20.3 29.4 24 27 A A H <5S- 0 0 24 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.770 113.6-120.5 -71.5 -25.2 -10.0 23.8 30.9 25 28 A G T <5 + 0 0 42 -4,-1.9 2,-0.6 -3,-0.4 -3,-0.2 0.667 60.9 150.6 91.7 21.8 -8.5 25.1 27.7 26 29 A V < - 0 0 36 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.1 -0.785 41.6-133.2 -94.9 122.8 -5.4 26.2 29.4 27 30 A N + 0 0 148 -2,-0.6 2,-0.3 -3,-0.1 -24,-0.3 -0.431 33.7 163.7 -70.0 144.1 -2.2 26.2 27.4 28 31 A Y - 0 0 42 -2,-0.1 2,-0.5 -26,-0.1 -24,-0.2 -0.985 40.8-110.3-156.2 159.7 1.0 24.8 28.9 29 32 A E E -b 4 0A 78 -26,-3.3 -24,-2.8 -2,-0.3 2,-1.0 -0.858 29.4-147.9 -94.8 127.0 4.5 23.5 28.0 30 33 A D E -b 5 0A 53 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.1 -0.763 17.0-169.7-104.8 88.3 4.7 19.7 28.5 31 34 A E E -b 6 0A 61 -26,-2.0 -24,-2.0 -2,-1.0 2,-0.5 -0.682 4.2-166.4 -88.6 118.6 8.3 18.9 29.6 32 35 A R E -b 7 0A 77 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.2 -0.893 7.2-153.0-105.4 126.3 9.4 15.2 29.6 33 36 A I E -b 8 0A 15 -26,-2.5 -24,-0.6 -2,-0.5 2,-0.1 -0.847 14.4-131.5 -97.7 130.4 12.6 14.3 31.5 34 37 A S > - 0 0 49 -2,-0.5 4,-1.1 -26,-0.1 3,-0.3 -0.485 19.8-119.2 -73.7 151.1 14.5 11.2 30.3 35 38 A F T 4 S+ 0 0 146 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.824 116.2 55.0 -59.2 -33.3 15.7 8.7 32.9 36 39 A Q T 4 S+ 0 0 88 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.869 112.2 42.0 -64.6 -40.7 19.3 9.4 31.8 37 40 A D T >> S+ 0 0 87 -3,-0.3 4,-1.5 1,-0.2 3,-0.7 0.565 92.4 87.8 -84.8 -11.1 18.9 13.1 32.5 38 41 A W H 3X S+ 0 0 42 -4,-1.1 4,-3.0 1,-0.2 -1,-0.2 0.862 77.8 61.9 -61.1 -43.7 17.0 12.8 35.8 39 42 A P H 34 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.836 111.3 39.4 -50.3 -35.7 20.1 12.6 38.1 40 43 A K H <4 S+ 0 0 155 -3,-0.7 4,-0.2 -4,-0.2 -2,-0.2 0.770 118.1 47.7 -86.7 -24.6 21.1 16.2 37.0 41 44 A I H >< S+ 0 0 48 -4,-1.5 3,-1.9 1,-0.1 4,-0.5 0.846 93.6 78.1 -79.9 -37.1 17.5 17.6 36.9 42 45 A K G >< S+ 0 0 94 -4,-3.0 3,-1.3 1,-0.3 6,-0.2 0.794 90.7 51.4 -44.8 -49.1 16.5 16.2 40.4 43 46 A P G 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.697 103.6 59.5 -64.7 -21.1 18.3 18.8 42.5 44 47 A T G < S+ 0 0 92 -3,-1.9 -2,-0.2 -4,-0.2 -3,-0.1 0.511 91.3 85.8 -83.1 -3.6 16.7 21.7 40.5 45 48 A I S X S- 0 0 8 -3,-1.3 3,-3.2 -4,-0.5 2,-0.1 -0.879 87.0-120.1-104.0 115.2 13.2 20.5 41.5 46 49 A P T 3 S+ 0 0 60 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 -0.358 106.3 11.1 -49.2 115.9 11.7 21.6 44.9 47 50 A G T 3 S- 0 0 75 1,-0.2 3,-0.1 -2,-0.1 -5,-0.0 0.217 107.6-112.7 91.6 -12.6 11.2 18.4 46.8 48 51 A G S < S+ 0 0 10 -3,-3.2 2,-0.3 -6,-0.2 -1,-0.2 0.675 83.2 103.9 60.8 24.1 13.2 16.4 44.2 49 52 A R - 0 0 186 -3,-0.4 -1,-0.2 2,-0.1 18,-0.1 -0.931 63.5 -90.8-132.3 155.5 10.2 14.5 42.9 50 53 A L S S+ 0 0 21 -2,-0.3 2,-0.1 -3,-0.1 -43,-0.1 -0.870 86.0 53.5-117.6 156.2 8.0 14.6 39.9 51 54 A P + 0 0 8 0, 0.0 16,-0.7 0, 0.0 2,-0.3 0.452 69.4 164.4 -76.3 151.3 5.4 15.7 38.7 52 55 A A E -AC 6 66A 0 -46,-2.1 -46,-3.0 14,-0.2 2,-0.5 -0.977 24.4-149.3-134.0 146.5 6.2 19.3 39.4 53 56 A V E -AC 5 65A 1 12,-3.1 12,-2.8 -2,-0.3 2,-0.6 -0.973 4.8-163.0-123.9 126.7 4.6 22.4 37.9 54 57 A K E -AC 4 64A 61 -50,-2.4 -50,-2.1 -2,-0.5 2,-0.6 -0.948 6.3-169.2-113.6 114.2 6.4 25.7 37.3 55 58 A I E -AC 3 63A 18 8,-3.1 8,-3.0 -2,-0.6 2,-0.5 -0.908 5.4-166.4-106.9 118.3 4.2 28.7 36.8 56 59 A T E -AC 2 62A 37 -54,-2.6 -54,-3.3 -2,-0.6 6,-0.2 -0.942 7.0-145.3-114.6 131.2 5.9 31.9 35.6 57 60 A D > - 0 0 49 4,-2.2 3,-0.7 -2,-0.5 6,-0.0 -0.248 26.0-119.9 -70.7 161.9 4.5 35.4 35.5 58 61 A N T 3 S+ 0 0 134 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.279 116.8 57.3 -84.9 9.0 5.0 38.3 33.0 59 62 A H T 3 S- 0 0 143 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.005 125.5 -96.4-123.8 24.8 6.3 40.1 36.1 60 63 A G S < S+ 0 0 65 -3,-0.7 -2,-0.1 1,-0.2 2,-0.1 0.334 75.2 141.4 84.0 -6.3 9.1 37.7 37.1 61 64 A H - 0 0 125 1,-0.0 -4,-2.2 -5,-0.0 2,-0.4 -0.415 32.7-161.4 -73.2 147.9 7.2 35.6 39.7 62 65 A V E -C 56 0A 77 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.995 5.1-170.4-134.2 121.5 7.9 31.9 39.8 63 66 A K E -C 55 0A 90 -8,-3.0 -8,-3.1 -2,-0.4 2,-0.5 -0.969 5.8-158.8-119.1 126.1 5.5 29.5 41.5 64 67 A W E -C 54 0A 89 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.906 9.5-173.8-103.1 132.8 6.4 25.9 42.1 65 68 A M E +C 53 0A 27 -12,-2.8 -12,-3.1 -2,-0.5 2,-0.3 -0.983 4.5 176.3-123.8 137.3 3.7 23.2 42.7 66 69 A V E +C 52 0A 70 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.799 43.8 68.2-127.6 173.9 4.1 19.6 43.6 67 70 A E >> - 0 0 126 -16,-0.7 4,-2.4 -2,-0.3 3,-1.0 0.924 69.5-132.2 75.7 97.1 1.8 16.7 44.5 68 71 A S H 3> S+ 0 0 3 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.838 98.5 40.4 -53.6 -56.3 -0.1 15.7 41.4 69 72 A L H 3> S+ 0 0 12 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.682 113.0 56.4 -72.2 -17.2 -3.8 15.5 42.6 70 73 A A H <> S+ 0 0 51 -3,-1.0 4,-2.2 2,-0.2 -1,-0.3 0.892 112.4 42.9 -71.8 -42.2 -3.3 18.6 44.8 71 74 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.951 114.0 50.1 -65.6 -48.0 -2.2 20.4 41.6 72 75 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.928 113.0 47.4 -58.1 -42.9 -5.0 18.9 39.6 73 76 A R H X S+ 0 0 74 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.871 110.6 50.4 -68.1 -40.2 -7.6 19.9 42.2 74 77 A Y H X S+ 0 0 95 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.952 115.3 43.6 -61.8 -46.8 -6.3 23.4 42.5 75 78 A M H X S+ 0 0 8 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.899 114.7 49.5 -64.7 -39.5 -6.5 23.8 38.7 76 79 A A H <>S+ 0 0 0 -4,-2.8 5,-2.9 -5,-0.3 6,-0.4 0.917 109.7 51.5 -67.0 -42.0 -9.9 22.1 38.6 77 80 A K H ><5S+ 0 0 158 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.898 108.3 52.8 -60.5 -40.1 -11.1 24.4 41.4 78 81 A K H 3<5S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.9 42.1 -60.0 -40.7 -9.9 27.4 39.4 79 82 A H T 3<5S- 0 0 56 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.009 119.1-103.8-106.0 28.5 -11.8 26.4 36.3 80 83 A H T < 5S+ 0 0 160 -3,-1.1 3,-0.2 1,-0.1 -3,-0.2 0.814 82.9 125.2 61.6 40.7 -15.0 25.2 38.0 81 84 A M < + 0 0 17 -5,-2.9 74,-2.4 -8,-0.1 75,-0.3 0.160 52.4 72.3-118.4 15.6 -14.4 21.5 37.7 82 85 A M S S- 0 0 15 1,-0.4 11,-0.2 -6,-0.4 10,-0.2 0.146 113.4 -71.4-113.2 16.4 -14.7 20.4 41.4 83 86 A G - 0 0 25 -3,-0.2 -1,-0.4 1,-0.1 3,-0.1 -0.085 27.1-122.6 106.3 146.2 -18.5 20.7 41.7 84 87 A G S S+ 0 0 73 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.493 96.0 31.4 -94.9 -11.3 -20.9 23.7 41.8 85 88 A T S > S- 0 0 75 1,-0.1 4,-3.4 -3,-0.0 5,-0.1 -0.913 88.8-103.9-137.1 168.7 -22.3 22.6 45.2 86 89 A E H > S+ 0 0 175 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.902 122.6 52.1 -56.8 -45.3 -21.2 20.7 48.4 87 90 A E H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 111.9 44.4 -58.7 -46.1 -23.1 17.6 47.2 88 91 A E H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.926 110.7 55.0 -68.5 -42.2 -21.3 17.8 43.8 89 92 A Y H X S+ 0 0 127 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.950 108.4 49.3 -49.3 -52.8 -18.0 18.4 45.5 90 93 A Y H X S+ 0 0 130 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.919 111.6 48.5 -51.5 -49.7 -18.7 15.1 47.5 91 94 A N H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 108.7 52.3 -67.0 -35.8 -19.5 13.1 44.4 92 95 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.990 114.4 43.9 -56.8 -55.3 -16.4 14.4 42.5 93 96 A E H X S+ 0 0 42 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.832 109.1 57.0 -60.5 -36.2 -14.2 13.3 45.5 94 97 A K H X S+ 0 0 46 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.946 111.1 43.3 -60.7 -47.7 -16.1 10.0 45.9 95 98 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.824 113.2 52.4 -68.2 -32.6 -15.3 9.0 42.3 96 99 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.951 110.3 47.3 -67.8 -46.8 -11.7 10.3 42.7 97 100 A G H X S+ 0 0 37 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.912 113.7 47.8 -61.3 -45.6 -11.1 8.2 45.8 98 101 A Q H X S+ 0 0 36 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.925 112.4 49.2 -58.0 -47.2 -12.7 5.1 44.1 99 102 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.852 111.4 50.2 -59.9 -38.6 -10.5 5.7 40.9 100 103 A E H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.845 103.0 58.7 -71.6 -36.1 -7.4 6.0 43.1 101 104 A D H X S+ 0 0 78 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.943 109.9 44.9 -51.0 -48.0 -8.1 2.8 45.0 102 105 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.871 108.2 56.6 -68.2 -38.3 -8.0 1.1 41.6 103 106 A E H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.905 104.9 53.3 -56.9 -42.7 -4.8 3.0 40.6 104 107 A H H X S+ 0 0 96 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.841 105.0 53.2 -65.9 -32.7 -3.2 1.6 43.7 105 108 A E H >< S+ 0 0 12 -4,-1.4 3,-0.6 2,-0.2 4,-0.3 0.948 109.9 49.1 -59.5 -46.8 -4.2 -1.9 42.7 106 109 A Y H >< S+ 0 0 13 -4,-2.3 3,-1.9 1,-0.2 4,-0.2 0.878 103.8 60.3 -59.1 -41.3 -2.4 -1.1 39.3 107 110 A Y H >< S+ 0 0 63 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.804 89.9 70.4 -55.6 -37.4 0.7 0.2 41.2 108 111 A K T << S+ 0 0 106 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.658 94.2 56.5 -53.3 -20.2 1.2 -3.2 42.8 109 112 A T T < S+ 0 0 2 -3,-1.9 3,-0.5 -4,-0.3 -1,-0.3 0.551 89.7 95.6 -91.9 -8.7 2.2 -4.5 39.4 110 113 A L S < S+ 0 0 65 -3,-1.9 -3,-0.0 -4,-0.2 0, 0.0 -0.375 79.4 23.8 -82.9 159.1 5.0 -2.0 38.9 111 114 A M S S+ 0 0 151 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.808 90.0 138.8 59.6 31.4 8.8 -2.6 39.7 112 115 A K - 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