==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAR-03 1OE8 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA HAEMATOBIUM; . AUTHOR K.A.JOHNSON,F.ANGELUCCI,D.TSERNOGLOU . 409 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.9 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 46.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 0 0 0 0 1 3 2 2 2 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 150 0, 0.0 2,-0.4 0, 0.0 56,-0.2 0.000 360.0 360.0 360.0 137.0 0.8 12.4 10.0 2 5 A H E -A 56 0A 92 54,-2.7 54,-2.1 26,-0.0 2,-0.5 -0.911 360.0-155.1-109.1 136.5 3.9 13.6 11.7 3 6 A I E -A 55 0A 25 -2,-0.4 26,-2.6 24,-0.2 2,-0.5 -0.972 9.5-172.4-115.9 123.7 6.5 11.0 12.7 4 7 A K E -Ab 54 29A 34 50,-2.3 50,-2.4 -2,-0.5 2,-0.6 -0.996 12.2-151.4-116.4 133.6 8.8 11.9 15.6 5 8 A V E -Ab 53 30A 1 24,-3.0 26,-2.9 -2,-0.5 2,-0.5 -0.953 12.7-161.1-102.7 123.0 11.7 9.6 16.5 6 9 A I E +Ab 52 31A 3 46,-2.8 46,-2.1 -2,-0.6 2,-0.3 -0.857 29.0 134.0-109.9 119.5 12.5 9.8 20.2 7 10 A Y E - b 0 32A 18 24,-2.0 26,-2.9 -2,-0.5 3,-0.1 -0.950 48.8-141.1-156.3 173.7 16.0 8.6 21.2 8 11 A F S S+ 0 0 73 -2,-0.3 2,-0.5 24,-0.2 -1,-0.1 0.787 80.9 59.0-109.2 -45.3 19.1 9.1 23.2 9 12 A N > - 0 0 58 1,-0.1 3,-1.0 23,-0.0 5,-0.3 -0.887 65.4-144.9 -99.2 138.6 22.0 8.0 21.1 10 13 A G T 3 S+ 0 0 35 -2,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.713 102.7 23.8 -65.8 -28.4 22.9 9.5 17.7 11 14 A R T 3 S+ 0 0 70 3,-0.0 -1,-0.3 154,-0.0 2,-0.2 -0.442 104.5 95.6-138.0 65.2 24.1 6.1 16.4 12 15 A G S X S- 0 0 12 -3,-1.0 3,-2.2 -2,-0.1 4,-0.3 -0.252 95.4 -36.7-124.1-144.7 22.3 3.6 18.5 13 16 A R T > S+ 0 0 59 1,-0.3 3,-0.6 -2,-0.2 4,-0.5 0.723 125.9 64.8 -65.3 -18.2 19.1 1.6 18.1 14 17 A A T 3> S+ 0 0 0 -5,-0.3 4,-2.4 1,-0.2 3,-0.5 0.654 79.9 85.0 -77.2 -10.2 17.1 4.3 16.3 15 18 A E H <> S+ 0 0 3 -3,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.850 86.3 54.1 -61.1 -35.6 19.5 4.2 13.3 16 19 A S H <> S+ 0 0 7 -3,-0.6 4,-1.9 -4,-0.3 -1,-0.2 0.871 111.0 46.8 -62.9 -35.0 17.6 1.4 11.7 17 20 A I H > S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.5 -2,-0.2 0.949 114.2 46.1 -71.6 -51.3 14.4 3.4 12.0 18 21 A R H X S+ 0 0 16 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.904 113.6 48.5 -59.5 -47.5 16.0 6.6 10.6 19 22 A M H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.851 109.3 52.2 -64.2 -31.4 17.6 4.8 7.7 20 23 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.960 113.1 44.8 -67.6 -44.2 14.5 2.9 6.7 21 24 A L H <>S+ 0 0 2 -4,-2.1 5,-2.6 1,-0.2 4,-0.5 0.931 113.9 51.0 -67.2 -37.6 12.5 6.2 6.6 22 25 A V H ><5S+ 0 0 22 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.939 109.6 48.3 -63.0 -46.1 15.4 7.9 4.7 23 26 A A H 3<5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 113.2 49.0 -64.9 -31.7 15.6 5.1 2.1 24 27 A A T 3<5S- 0 0 22 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.524 112.4-119.9 -84.0 -12.7 11.8 5.3 1.6 25 28 A G T < 5 + 0 0 45 -3,-1.6 2,-0.4 -4,-0.5 -3,-0.2 0.734 62.8 146.4 75.2 29.6 11.8 9.1 1.3 26 29 A V < - 0 0 38 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.2 -0.804 42.2-134.9-105.9 125.3 9.5 9.6 4.4 27 30 A N + 0 0 147 -2,-0.4 2,-0.3 -3,-0.1 -24,-0.2 -0.639 31.5 161.2 -81.5 158.7 10.2 12.7 6.5 28 31 A Y - 0 0 53 -2,-0.2 2,-0.4 -26,-0.1 -24,-0.2 -0.974 33.9-112.1-162.4 171.3 10.3 12.7 10.3 29 32 A E E -b 4 0A 84 -26,-2.6 -24,-3.0 -2,-0.3 2,-0.4 -0.890 21.4-136.9-118.2 135.4 11.5 14.7 13.2 30 33 A D E -b 5 0A 90 -2,-0.4 2,-0.5 -26,-0.2 -24,-0.2 -0.804 17.3-175.7 -90.4 129.4 14.4 13.8 15.5 31 34 A E E -b 6 0A 65 -26,-2.9 -24,-2.0 -2,-0.4 2,-0.5 -0.969 9.4-163.6-127.3 104.5 13.9 14.4 19.3 32 35 A R E -b 7 0A 179 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.805 8.5-145.9 -95.1 131.8 17.0 13.6 21.2 33 36 A I - 0 0 13 -26,-2.9 2,-0.1 -2,-0.5 5,-0.0 -0.871 12.1-138.1 -97.9 126.8 16.6 13.2 25.0 34 37 A S > - 0 0 49 -2,-0.5 4,-1.0 1,-0.1 3,-0.5 -0.364 23.8-113.0 -81.8 162.5 19.4 14.3 27.2 35 38 A F T >4 S+ 0 0 72 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.873 119.4 54.5 -59.5 -35.6 20.6 12.3 30.3 36 39 A Q T 34 S+ 0 0 164 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.751 108.6 45.5 -70.8 -23.4 19.2 15.2 32.4 37 40 A D T >> S+ 0 0 59 -3,-0.5 4,-1.9 1,-0.1 3,-0.6 0.681 89.0 90.3 -97.9 -6.2 15.7 15.1 30.9 38 41 A W H X S+ 0 0 34 -4,-1.9 3,-2.1 2,-0.1 4,-0.7 0.897 96.2 74.9 -87.1 -31.2 10.4 11.9 30.1 42 45 A K G >< S+ 0 0 92 -4,-3.2 3,-1.6 1,-0.3 6,-0.3 0.832 92.4 52.4 -45.9 -53.3 10.6 8.2 31.1 43 46 A P G 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.756 106.4 57.3 -60.6 -17.3 7.1 8.0 32.6 44 47 A T G <4 S+ 0 0 80 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.674 89.6 81.3 -89.2 -9.5 5.7 9.5 29.4 45 48 A I S X< S- 0 0 7 -3,-1.6 3,-2.9 -4,-0.7 21,-0.0 -0.732 88.7-117.0 -99.3 125.1 7.0 6.9 27.1 46 49 A P T 3 S+ 0 0 60 0, 0.0 3,-0.5 0, 0.0 -2,-0.1 -0.437 104.5 14.1 -53.4 123.2 5.0 3.6 26.9 47 50 A G T 3 S- 0 0 47 1,-0.2 294,-0.1 -4,-0.1 3,-0.1 0.132 108.8-109.9 91.7 -17.8 7.2 0.9 28.2 48 51 A G S < S+ 0 0 10 -3,-2.9 2,-0.3 -6,-0.3 -1,-0.2 0.608 84.3 102.0 64.7 23.2 9.7 3.4 29.6 49 52 A R - 0 0 78 -3,-0.5 -1,-0.2 2,-0.1 18,-0.1 -0.943 61.8 -96.7-138.0 150.8 12.5 2.7 27.1 50 53 A L S S+ 0 0 36 -2,-0.3 2,-0.2 -3,-0.1 -43,-0.1 -0.865 82.5 56.6-108.3 162.6 13.8 4.4 23.9 51 54 A P + 0 0 7 0, 0.0 16,-0.7 0, 0.0 2,-0.3 0.427 67.7 159.4 -82.9 165.8 13.9 4.6 21.1 52 55 A A E -AC 6 66A 0 -46,-2.1 -46,-2.8 -2,-0.2 2,-0.4 -0.945 31.1-138.5-142.0 152.2 10.2 5.2 20.6 53 56 A V E -AC 5 65A 0 12,-3.2 12,-3.0 -2,-0.3 2,-0.5 -0.990 11.4-160.6-121.8 135.3 8.2 6.7 17.7 54 57 A K E -AC 4 64A 58 -50,-2.4 -50,-2.3 -2,-0.4 2,-0.6 -0.950 5.3-165.4-112.2 119.2 5.3 9.1 18.3 55 58 A I E -AC 3 63A 26 8,-3.0 8,-2.1 -2,-0.5 2,-0.5 -0.947 4.8-174.2-114.5 118.7 3.0 9.5 15.4 56 59 A T E -AC 2 62A 41 -54,-2.1 -54,-2.7 -2,-0.6 6,-0.2 -0.974 11.7-151.1-111.5 119.7 0.6 12.4 15.6 57 60 A D > - 0 0 42 4,-2.3 3,-3.2 -2,-0.5 4,-0.1 -0.422 39.5 -91.5 -81.4 175.8 -2.1 12.7 12.8 58 61 A N T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.554 129.9 56.7 -65.1 0.4 -3.5 16.1 11.8 59 62 A H T 3 S- 0 0 144 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.284 119.1-115.3-101.9 -1.4 -6.3 15.7 14.4 60 63 A G < + 0 0 44 -3,-3.2 2,-0.4 1,-0.2 -2,-0.2 0.807 63.3 152.1 75.1 21.9 -3.5 15.4 16.9 61 64 A H - 0 0 115 -4,-0.1 -4,-2.3 2,-0.0 2,-0.3 -0.822 37.3-139.5 -80.6 136.6 -4.4 11.8 17.8 62 65 A V E -C 56 0A 68 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.758 21.1-175.1-106.9 139.3 -1.2 10.0 19.0 63 66 A K E -C 55 0A 164 -8,-2.1 -8,-3.0 -2,-0.3 2,-0.4 -0.995 15.8-153.9-124.2 131.2 -0.1 6.5 18.1 64 67 A W E -C 54 0A 80 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.884 9.3-169.9-109.8 148.8 3.0 5.2 19.8 65 68 A M E +C 53 0A 14 -12,-3.0 -12,-3.2 -2,-0.4 2,-0.3 -0.978 9.1 176.7-130.5 139.6 5.4 2.6 18.6 66 69 A V E +C 52 0A 22 -2,-0.4 -14,-0.2 -14,-0.2 5,-0.1 -0.896 41.3 69.8-133.6 172.5 8.2 1.0 20.5 67 70 A E S >> S- 0 0 28 -16,-0.7 4,-2.6 -2,-0.3 3,-1.1 0.857 71.0-127.7 81.1 99.5 10.8 -1.7 20.1 68 71 A S H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.771 101.8 36.7 -50.8 -53.1 13.3 -0.5 17.5 69 72 A L H 3> S+ 0 0 14 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.693 112.9 59.0 -81.1 -11.3 13.5 -3.2 15.0 70 73 A A H <> S+ 0 0 1 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.971 111.2 44.2 -71.6 -37.7 9.7 -4.0 15.3 71 74 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.4 0.938 113.5 50.7 -69.1 -48.8 9.2 -0.3 14.2 72 75 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.3 0.915 111.1 47.4 -58.9 -45.4 11.9 -0.7 11.5 73 76 A R H X S+ 0 0 16 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.948 110.7 51.8 -65.0 -28.5 10.3 -3.9 10.1 74 77 A Y H X S+ 0 0 32 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.933 114.6 42.6 -69.5 -43.3 6.8 -2.3 10.1 75 78 A M H X S+ 0 0 10 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.892 115.8 49.2 -69.5 -40.5 8.1 0.8 8.2 76 79 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 -5,-0.4 3,-0.4 0.960 109.8 51.1 -65.4 -40.6 10.2 -1.4 5.8 77 80 A K H ><5S+ 0 0 74 -4,-3.3 3,-1.7 1,-0.3 5,-0.2 0.957 109.2 51.9 -59.5 -45.3 7.2 -3.7 5.2 78 81 A K H 3<5S+ 0 0 64 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 114.6 43.0 -58.1 -35.5 5.2 -0.6 4.3 79 82 A H T 3<5S- 0 0 71 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 -0.018 117.1-104.5-107.8 31.8 7.9 0.5 1.9 80 83 A H T < 5S+ 0 0 168 -3,-1.7 3,-0.2 1,-0.1 -3,-0.2 0.832 85.6 121.2 52.2 48.0 8.7 -2.8 0.1 81 84 A M < + 0 0 12 -5,-2.9 74,-2.9 -8,-0.2 75,-0.3 0.227 51.6 76.8-126.7 26.6 12.0 -3.3 2.0 82 85 A M S S- 0 0 5 1,-0.4 10,-0.2 -6,-0.4 -1,-0.1 -0.002 111.7 -79.4-121.3 23.9 11.2 -6.7 3.6 83 86 A G - 0 0 27 -3,-0.2 -1,-0.4 70,-0.2 -2,-0.1 0.154 29.9-113.8 99.5 159.4 11.7 -8.8 0.5 84 87 A G S S+ 0 0 68 -3,-0.1 2,-0.3 -4,-0.0 -1,-0.1 0.539 95.9 30.1-102.4 -15.0 9.4 -9.5 -2.5 85 88 A T S > S- 0 0 74 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.911 89.6-103.7-130.5 171.2 8.9 -13.2 -1.9 86 89 A E H > S+ 0 0 68 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.780 122.3 54.7 -64.6 -34.9 8.7 -15.3 1.2 87 90 A E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 109.2 46.1 -63.4 -46.7 12.3 -16.7 0.4 88 91 A E H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.866 109.6 55.6 -63.9 -42.4 13.7 -13.1 0.2 89 92 A Y H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.903 107.6 49.3 -53.4 -42.0 11.9 -12.3 3.5 90 93 A Y H X S+ 0 0 18 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.954 112.1 47.6 -61.5 -43.7 13.7 -15.3 5.0 91 94 A N H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.830 110.4 52.3 -68.3 -34.2 17.1 -14.0 3.6 92 95 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.966 113.9 43.6 -63.9 -49.2 16.3 -10.5 4.9 93 96 A E H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.839 109.2 58.0 -66.6 -27.7 15.6 -11.9 8.4 94 97 A K H X S+ 0 0 30 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.982 110.8 41.7 -66.0 -44.8 18.7 -14.2 8.2 95 98 A L H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.882 112.0 54.6 -76.5 -34.7 21.0 -11.3 7.7 96 99 A I H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -1,-0.3 0.905 109.4 48.5 -60.5 -45.5 19.2 -9.1 10.3 97 100 A G H X S+ 0 0 13 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.905 112.1 49.1 -63.4 -35.7 19.7 -11.9 12.8 98 101 A Q H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.912 112.8 47.0 -65.6 -48.4 23.4 -12.2 11.9 99 102 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.871 110.4 52.8 -59.0 -42.1 23.9 -8.4 12.2 100 103 A E H X S+ 0 0 25 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.848 105.7 54.0 -69.1 -26.9 22.0 -8.4 15.6 101 104 A D H X S+ 0 0 42 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.967 110.8 46.6 -74.1 -32.6 24.3 -11.1 16.9 102 105 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.3 3,-0.3 0.887 110.6 52.4 -69.2 -41.1 27.3 -8.8 15.9 103 106 A E H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.867 103.2 59.5 -60.1 -40.4 25.5 -5.8 17.6 104 107 A H H X S+ 0 0 57 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.834 104.0 49.4 -64.6 -28.1 25.1 -7.8 20.8 105 108 A E H >< S+ 0 0 17 -4,-1.3 3,-1.1 -3,-0.3 4,-0.4 0.955 111.5 50.2 -69.9 -45.5 29.0 -8.2 21.0 106 109 A Y H >< S+ 0 0 28 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.893 102.6 60.5 -57.1 -44.0 29.3 -4.5 20.5 107 110 A Y H >< S+ 0 0 53 -4,-2.6 3,-1.6 1,-0.3 -1,-0.3 0.775 88.3 72.4 -58.3 -20.8 26.8 -3.8 23.2 108 111 A K T << S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.760 97.5 52.1 -62.2 -24.0 29.1 -5.6 25.7 109 112 A T T X S+ 0 0 3 -3,-1.9 3,-0.6 -4,-0.4 -1,-0.3 0.371 86.8 111.9 -88.5 -6.2 31.4 -2.5 25.5 110 113 A L T < S+ 0 0 52 -3,-1.6 -3,-0.0 1,-0.2 0, 0.0 -0.495 79.1 0.4 -85.6 147.3 28.9 0.3 26.1 111 114 A M T 3 S+ 0 0 162 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.888 95.9 126.6 48.3 49.1 28.6 2.7 29.1 112 115 A K < - 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0 0 27 70,-0.2 -1,-0.4 -3,-0.2 -2,-0.1 0.139 29.2-115.0 94.3 164.8 -0.3 -11.3 11.7 290 87 B G S S+ 0 0 68 -3,-0.1 2,-0.3 -4,-0.0 -1,-0.1 0.472 95.8 38.2-109.8 -9.9 -3.0 -10.6 9.2 291 88 B T S > S- 0 0 72 1,-0.1 4,-2.3 -3,-0.0 5,-0.1 -0.929 89.0-109.5-129.0 165.4 -2.5 -6.8 8.8 292 89 B E H > S+ 0 0 65 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.804 121.7 54.4 -63.2 -34.0 0.7 -4.7 8.8 293 90 B E H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.842 108.3 46.8 -62.3 -49.2 -0.4 -3.4 12.3 294 91 B E H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.878 110.5 53.6 -62.8 -44.7 -0.7 -7.0 13.7 295 92 B Y H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.884 108.2 50.3 -55.7 -43.4 2.7 -7.8 12.1 296 93 B Y H X S+ 0 0 17 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.950 112.2 46.8 -54.9 -49.7 4.2 -4.7 14.0 297 94 B N H X S+ 0 0 58 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.875 110.4 52.3 -64.7 -38.7 2.6 -6.0 17.2 298 95 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.968 113.7 44.7 -60.8 -44.5 3.9 -9.5 16.6 299 96 B E H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.854 108.1 57.6 -65.5 -33.5 7.4 -8.1 16.1 300 97 B K H X S+ 0 0 31 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.977 110.8 42.3 -63.9 -42.6 7.1 -5.8 19.2 301 98 B L H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.3 -2,-0.2 0.885 112.2 54.3 -77.7 -33.3 6.4 -8.8 21.5 302 99 B I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.3 0.923 108.9 48.7 -63.1 -42.9 9.1 -10.9 19.9 303 100 B G H X S+ 0 0 12 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.901 111.9 49.4 -68.7 -33.4 11.6 -8.1 20.4 304 101 B Q H X S+ 0 0 6 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.932 112.1 47.9 -67.8 -40.1 10.5 -7.9 24.1 305 102 B A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.870 109.8 52.8 -70.1 -34.5 10.8 -11.6 24.6 306 103 B E H X S+ 0 0 40 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.842 105.8 53.6 -70.6 -27.6 14.2 -11.7 23.0 307 104 B D H X S+ 0 0 43 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.951 110.8 47.4 -71.8 -33.3 15.5 -9.0 25.3 308 105 B L H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.886 110.5 51.6 -67.0 -44.2 14.3 -11.2 28.2 309 106 B E H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.879 102.5 60.8 -59.6 -39.0 16.0 -14.2 26.6 310 107 B H H X S+ 0 0 48 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.838 103.6 49.6 -61.5 -32.5 19.2 -12.2 26.4 311 108 B E H >< S+ 0 0 18 -4,-1.2 3,-1.2 -3,-0.3 4,-0.5 0.952 110.7 50.6 -67.2 -45.5 19.2 -11.8 30.2 312 109 B Y H >< S+ 0 0 27 -4,-1.9 3,-2.0 1,-0.3 4,-0.2 0.894 102.8 60.2 -53.3 -46.5 18.7 -15.6 30.5 313 110 B Y H >< S+ 0 0 52 -4,-2.6 3,-1.5 1,-0.3 -1,-0.3 0.737 88.5 72.0 -59.4 -21.0 21.6 -16.3 28.2 314 111 B K T << S+ 0 0 92 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.720 97.8 52.4 -63.7 -24.6 24.0 -14.5 30.6 315 112 B T T X S+ 0 0 0 -3,-2.0 3,-0.7 -4,-0.5 -1,-0.3 0.436 86.9 112.4 -84.2 -10.9 23.5 -17.6 32.8 316 113 B L T < S- 0 0 51 -3,-1.5 -3,-0.0 -4,-0.2 0, 0.0 -0.414 80.0 -1.0 -80.3 145.9 24.3 -20.4 30.3 317 114 B M T 3 S+ 0 0 166 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.644 95.3 127.8 53.9 29.2 27.3 -22.8 30.3 318 115 B K < - 0 0 97 -3,-0.7 -1,-0.2 1,-0.1 2,-0.0 -0.738 68.2 -95.9-108.3 153.8 28.8 -21.2 33.4 319 116 B P > - 0 0 86 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.336 45.1 -97.6 -59.1 161.6 29.8 -23.1 36.4 320 117 B E H > S+ 0 0 163 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 119.4 50.1 -45.3 -60.7 27.3 -23.3 39.3 321 118 B E H > S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.894 115.0 41.5 -53.7 -55.4 28.8 -20.5 41.4 322 119 B E H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.893 112.3 56.9 -63.3 -37.9 29.0 -17.9 38.6 323 120 B K H X S+ 0 0 62 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.951 107.8 47.1 -55.8 -51.7 25.5 -19.0 37.3 324 121 B Q H X S+ 0 0 94 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.781 110.7 52.4 -60.2 -32.5 23.9 -18.3 40.7 325 122 B K H X S+ 0 0 99 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.937 112.2 44.6 -69.2 -44.3 25.6 -14.9 40.9 326 123 B I H X S+ 0 0 23 -4,-2.7 4,-2.8 2,-0.2 5,-0.4 0.944 110.9 56.1 -68.2 -38.5 24.3 -14.0 37.4 327 124 B I H X S+ 0 0 6 -4,-3.3 4,-2.5 1,-0.3 5,-0.3 0.953 106.4 48.2 -57.1 -49.1 20.9 -15.3 38.3 328 125 B K H X S+ 0 0 155 -4,-2.0 4,-0.8 1,-0.2 -1,-0.3 0.882 112.2 51.5 -58.0 -38.5 20.6 -13.1 41.4 329 126 B E H < S+ 0 0 148 -4,-1.6 3,-0.4 -3,-0.2 -2,-0.2 0.969 113.7 40.0 -68.6 -48.8 21.7 -10.1 39.4 330 127 B I H ><>S+ 0 0 6 -4,-2.8 5,-1.9 1,-0.2 3,-0.9 0.871 112.0 54.9 -72.1 -27.6 19.2 -10.4 36.5 331 128 B L H 3<5S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.1 0.797 113.8 42.3 -77.3 -15.9 16.2 -11.5 38.6 332 129 B N T 3<5S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.371 126.8 39.9-100.2 3.3 16.7 -8.3 40.6 333 130 B G T <>5S- 0 0 30 -3,-0.9 4,-0.9 -4,-0.1 -3,-0.2 0.312 122.4 -12.5-115.5-110.8 17.3 -6.5 37.4 334 131 B K H >5S+ 0 0 124 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.681 111.9 78.4 -79.1 -17.7 16.0 -6.4 33.9 335 132 B V H > S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.854 114.4 57.1 -64.9 -33.0 11.0 -8.1 36.2 337 134 B V H X S+ 0 0 77 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.955 111.0 43.0 -58.9 -43.5 11.2 -5.0 34.2 338 135 B L H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.909 110.1 55.3 -73.4 -31.9 10.8 -6.9 31.0 339 136 B L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.915 109.2 49.8 -67.3 -38.9 8.0 -9.2 32.5 340 137 B D H X S+ 0 0 90 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.911 110.6 47.9 -67.2 -39.1 6.1 -6.0 33.3 341 138 B I H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.936 112.9 50.2 -61.6 -47.2 6.6 -4.6 29.7 342 139 B I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.933 107.9 52.5 -57.5 -47.9 5.4 -8.0 28.4 343 140 B C H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.873 110.2 48.6 -58.7 -37.4 2.4 -7.9 30.7 344 141 B E H X S+ 0 0 123 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.902 109.4 51.8 -73.9 -30.1 1.5 -4.5 29.4 345 142 B S H < S+ 0 0 13 -4,-2.3 -1,-0.2 2,-0.2 3,-0.2 0.861 109.9 50.2 -58.9 -51.3 1.9 -5.7 25.8 346 143 B L H >< S+ 0 0 18 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.860 105.6 56.0 -58.7 -43.5 -0.4 -8.6 26.5 347 144 B K H 3< S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 104.2 55.9 -55.8 -36.9 -3.1 -6.3 28.0 348 145 B A T 3< S+ 0 0 74 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.428 78.0 117.9 -79.4 -5.2 -3.1 -4.3 24.7 349 146 B S < - 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0 0 6 -72,-0.1 3,-1.3 -4,-0.1 4,-1.1 -0.946 49.3-100.2-134.8 175.5 1.2 -16.0 16.1 361 158 B L H 3> S+ 0 0 0 -74,-3.0 4,-3.0 -2,-0.3 5,-0.3 0.853 118.9 67.0 -64.6 -34.7 4.9 -16.5 16.4 362 159 B A H 3> S+ 0 0 0 -75,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.875 97.2 52.0 -51.0 -45.9 4.8 -14.0 19.3 363 160 B D H <> S+ 0 0 0 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.927 112.0 45.6 -59.9 -39.1 2.9 -16.4 21.5 364 161 B L H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 5,-0.2 0.914 111.3 49.9 -76.2 -34.7 5.4 -19.2 20.9 365 162 B V H X S+ 0 0 5 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.882 110.6 53.3 -69.0 -38.5 8.5 -17.1 21.5 366 163 B L H X S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.954 107.5 47.9 -63.2 -42.4 6.9 -15.9 24.7 367 164 B I H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.925 111.8 51.7 -66.4 -36.1 6.2 -19.4 26.1 368 165 B A H X S+ 0 0 10 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.890 113.3 44.6 -55.7 -47.6 9.8 -20.5 25.3 369 166 B V H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.895 110.0 52.9 -68.2 -40.4 11.2 -17.4 27.1 370 167 B I H X S+ 0 0 16 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.927 106.3 54.8 -62.9 -36.2 9.0 -17.7 30.2 371 168 B D H X S+ 0 0 20 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.857 106.6 52.7 -59.9 -36.5 10.1 -21.5 30.5 372 169 B H H X S+ 0 0 6 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.2 0.909 106.7 50.8 -67.3 -43.3 13.7 -20.1 30.6 373 170 B V H >X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 3,-1.3 0.925 112.1 47.1 -61.1 -52.4 12.9 -17.6 33.5 374 171 B T H 3< S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.673 102.3 64.6 -65.0 -23.8 11.3 -20.4 35.6 375 172 B D H 3< S+ 0 0 73 -4,-1.3 -1,-0.3 -5,-0.2 3,-0.2 0.747 106.7 43.7 -56.9 -35.3 14.3 -22.5 34.8 376 173 B L H << S+ 0 0 19 -3,-1.3 2,-0.3 -4,-0.7 -2,-0.2 0.868 140.6 0.4 -81.7 -37.3 16.3 -19.9 36.8 377 174 B D >< - 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