==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JAN-09 3FR3 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.PERBANDT,E.LIEBAU,G.RICCI . 398 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.0 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 . 0 0.0 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 . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 46.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 1 1 1 0 2 2 3 2 0 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 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 N 0 0 155 0, 0.0 61,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -12.4 8.2 22.7 -21.1 2 5 A I E +A 61 0A 24 24,-0.3 26,-2.7 59,-0.2 2,-0.4 -0.813 360.0 174.3-105.4 125.6 8.5 19.8 -18.6 3 6 A V E -Ab 60 28A 31 57,-2.9 57,-2.9 -2,-0.5 2,-0.5 -0.988 14.3-160.8-131.1 129.1 8.3 20.2 -14.8 4 7 A L E -Ab 59 29A 0 24,-2.7 26,-2.4 -2,-0.4 2,-0.5 -0.908 13.3-160.3-100.3 125.4 8.2 17.4 -12.3 5 8 A Y E +Ab 58 30A 31 53,-3.2 53,-1.8 -2,-0.5 2,-0.3 -0.933 28.9 128.4-112.4 128.4 6.8 18.4 -8.9 6 9 A Y E - b 0 31A 22 24,-2.5 26,-2.8 -2,-0.5 2,-0.1 -0.900 57.4 -83.0-155.8 176.8 7.5 16.5 -5.8 7 10 A F E - b 0 32A 33 24,-0.3 2,-2.1 -2,-0.3 26,-0.2 -0.288 63.7 -81.9 -74.7 176.7 8.7 17.0 -2.2 8 11 A D S S+ 0 0 74 24,-1.5 2,-0.3 23,-0.2 -1,-0.1 -0.514 100.7 88.7 -86.6 79.3 12.5 17.1 -1.5 9 12 A A S S- 0 0 42 -2,-2.1 4,-0.1 1,-0.2 -3,-0.0 -0.955 77.0-124.6-166.3 162.8 12.8 13.3 -1.5 10 13 A R S >> S+ 0 0 75 -2,-0.3 3,-1.9 3,-0.1 4,-1.0 0.934 74.8 104.7 -81.3 -81.7 13.4 10.3 -3.8 11 14 A G G >4 S- 0 0 44 1,-0.3 3,-0.7 2,-0.2 4,-0.5 -0.003 94.4 -0.4 50.6-131.0 10.3 8.3 -2.9 12 15 A K G 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.469 135.5 51.3 -77.9 -4.0 7.6 8.3 -5.5 13 16 A A G <> S+ 0 0 0 -3,-1.9 4,-2.2 2,-0.1 3,-0.4 0.632 85.7 82.3 -97.9 -23.0 9.5 10.6 -7.9 14 17 A E H S+ 0 0 13 -4,-0.5 4,-2.3 2,-0.2 -1,-0.3 0.909 111.1 50.1 -56.6 -39.0 11.9 6.3 -10.8 16 19 A I H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.941 110.4 49.8 -66.7 -42.7 10.5 9.2 -13.0 17 20 A R H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.920 110.8 50.8 -60.9 -42.4 13.9 11.1 -12.5 18 21 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.907 109.2 50.2 -59.7 -39.6 15.8 7.9 -13.5 19 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.934 111.2 48.0 -65.1 -44.0 13.7 7.5 -16.7 20 23 A F H X>S+ 0 0 3 -4,-2.6 5,-2.4 2,-0.2 4,-0.9 0.913 113.4 48.9 -67.2 -38.2 14.3 11.2 -17.7 21 24 A A H ><5S+ 0 0 20 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.958 112.3 47.2 -59.5 -49.5 18.1 10.7 -17.0 22 25 A Y H 3<5S+ 0 0 73 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.882 117.2 44.2 -58.5 -42.4 18.2 7.5 -19.0 23 26 A L H 3<5S- 0 0 46 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.570 106.2-126.9 -79.9 -9.8 16.3 9.2 -21.8 24 27 A G T <<5 + 0 0 60 -4,-0.9 2,-0.5 -3,-0.9 -3,-0.2 0.839 51.8 160.9 64.2 34.1 18.3 12.4 -21.7 25 28 A I < - 0 0 31 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.748 36.2-132.0 -92.5 127.8 15.1 14.4 -21.4 26 29 A E + 0 0 91 -2,-0.5 2,-0.3 -5,-0.0 -24,-0.3 -0.606 41.3 146.0 -78.0 137.7 15.4 18.0 -20.0 27 30 A Y - 0 0 54 -2,-0.3 2,-0.5 -26,-0.1 -24,-0.2 -0.971 50.3-101.8-160.8 164.2 13.0 19.0 -17.3 28 31 A T E -b 3 0A 84 -26,-2.7 -24,-2.7 -2,-0.3 2,-1.2 -0.850 26.7-149.1 -95.7 126.9 12.7 21.1 -14.2 29 32 A D E -b 4 0A 53 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.1 -0.750 19.4-168.4 -99.1 87.2 13.0 19.1 -11.0 30 33 A K E -b 5 0A 78 -26,-2.4 -24,-2.5 -2,-1.2 2,-0.5 -0.694 3.7-171.9 -86.8 122.5 10.8 21.1 -8.7 31 34 A R E > -b 6 0A 41 -2,-0.5 3,-1.1 -26,-0.2 2,-0.3 -0.939 14.9-142.4-122.3 116.1 11.1 20.1 -5.0 32 35 A F E 3 S+b 7 0A 5 -26,-2.8 -24,-1.5 -2,-0.5 6,-0.2 -0.569 85.4 21.8 -76.4 135.7 8.9 21.4 -2.2 33 36 A G T 3 S+ 0 0 22 -2,-0.3 5,-0.2 4,-0.2 -1,-0.2 0.587 75.2 127.1 91.7 10.2 10.6 22.0 1.1 34 37 A V S < S- 0 0 70 -3,-1.1 -2,-0.1 3,-0.1 3,-0.0 0.902 101.0 -9.9 -66.8 -37.0 14.1 22.4 -0.2 35 38 A N S S+ 0 0 156 2,-0.0 3,-0.1 3,-0.0 -3,-0.1 0.668 132.2 44.2-124.5 -51.7 14.3 25.7 1.7 36 39 A G S S- 0 0 47 1,-0.2 2,-0.7 2,-0.1 3,-0.1 0.101 105.7 -52.3 -88.8-159.6 10.9 26.7 2.9 37 40 A D > - 0 0 74 1,-0.2 4,-2.8 2,-0.1 5,-0.2 -0.686 45.0-153.3 -82.4 116.2 8.0 24.9 4.6 38 41 A A H > S+ 0 0 28 -2,-0.7 4,-2.7 -5,-0.2 5,-0.2 0.926 94.6 46.4 -56.6 -45.5 7.2 21.8 2.5 39 42 A F H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 114.0 47.5 -67.0 -42.0 3.6 21.7 3.6 40 43 A V H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 114.3 47.1 -62.2 -39.1 3.1 25.4 3.0 41 44 A E H X S+ 0 0 50 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.906 113.6 47.8 -72.2 -39.3 4.7 25.2 -0.4 42 45 A F H X S+ 0 0 10 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.934 111.3 50.4 -63.5 -46.8 2.7 22.1 -1.3 43 46 A K H X S+ 0 0 99 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.919 111.5 48.6 -58.0 -41.8 -0.6 23.8 -0.1 44 47 A N H X S+ 0 0 83 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.893 109.8 53.5 -66.2 -40.4 0.3 26.8 -2.2 45 48 A F H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 104.9 53.0 -55.0 -47.8 1.0 24.5 -5.2 46 49 A K H < S+ 0 0 36 -4,-2.6 5,-0.3 1,-0.2 -1,-0.2 0.855 106.8 54.5 -64.2 -29.9 -2.4 22.9 -4.9 47 50 A K H < S+ 0 0 153 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.923 115.4 37.7 -62.2 -45.0 -4.0 26.3 -5.0 48 51 A E H < S+ 0 0 66 -4,-1.6 2,-0.4 -3,-0.1 -2,-0.2 0.683 115.2 54.3 -83.0 -25.1 -2.2 27.3 -8.3 49 52 A K S < S- 0 0 54 -4,-2.4 2,-1.0 -5,-0.1 -1,-0.0 -0.946 77.9-129.6-118.4 139.1 -2.4 23.9 -10.1 50 53 A D - 0 0 140 -2,-0.4 -3,-0.1 4,-0.0 15,-0.1 -0.730 35.9-178.0 -82.2 98.9 -5.4 21.8 -10.8 51 54 A T - 0 0 14 -2,-1.0 5,-0.1 -5,-0.3 7,-0.0 -0.785 28.3-137.0-100.6 144.5 -4.4 18.3 -9.5 52 55 A P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.874 99.0 11.4 -68.4 -32.4 -6.7 15.3 -9.8 53 56 A F S S- 0 0 126 2,-0.2 3,-0.1 0, 0.0 14,-0.0 0.184 100.0-110.5-130.0 14.2 -6.1 13.9 -6.3 54 57 A E S S+ 0 0 124 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.839 82.4 114.8 52.8 38.3 -4.1 16.7 -4.5 55 58 A Q - 0 0 99 2,-0.1 -2,-0.2 -9,-0.0 -1,-0.2 -0.908 56.0-102.6-130.2 158.7 -1.0 14.5 -4.5 56 59 A V S S+ 0 0 16 -2,-0.3 2,-0.2 -3,-0.1 -50,-0.1 -0.868 78.2 76.3-116.6 161.6 2.4 14.6 -6.0 57 60 A P + 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.4 0.326 61.6 172.8 -64.8 148.5 4.3 13.6 -8.1 58 61 A I E -AC 5 67A 0 -53,-1.8 -53,-3.2 9,-0.2 2,-0.5 -0.994 16.8-159.4-124.6 135.3 2.7 15.7 -10.7 59 62 A L E -AC 4 66A 0 7,-2.8 7,-2.8 -2,-0.4 2,-0.5 -0.983 5.6-166.1-116.4 120.4 4.3 16.0 -14.2 60 63 A Q E -AC 3 65A 24 -57,-2.9 -57,-2.9 -2,-0.5 2,-0.6 -0.912 6.8-175.9-106.5 123.1 3.4 19.0 -16.2 61 64 A I E > S-AC 2 64A 42 3,-2.6 3,-2.4 -2,-0.5 2,-0.3 -0.977 70.4 -50.3-122.1 107.4 4.3 18.8 -19.9 62 65 A G T 3 S- 0 0 37 -61,-2.4 -59,-0.1 -2,-0.6 -2,-0.0 -0.452 124.0 -22.9 60.4-117.6 3.4 22.2 -21.3 63 66 A D T 3 S+ 0 0 161 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.540 114.7 106.6 -96.0 -10.0 -0.2 22.7 -20.1 64 67 A L E < -C 61 0A 92 -3,-2.4 -3,-2.6 1,-0.0 2,-0.6 -0.619 56.4-156.2 -78.6 120.3 -0.9 19.0 -19.6 65 68 A I E -C 60 0A 50 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.874 11.3-173.3 -98.8 117.7 -1.0 17.9 -15.9 66 69 A L E -C 59 0A 31 -7,-2.8 -7,-2.8 -2,-0.6 2,-0.3 -0.940 4.4-177.8-113.0 134.3 -0.3 14.2 -15.3 67 70 A A E +C 58 0A 19 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.790 41.6 64.7-121.5 169.7 -0.6 12.6 -11.8 68 71 A Q > - 0 0 84 -11,-0.9 4,-2.1 -2,-0.3 3,-0.5 0.860 66.4-130.7 83.4 97.4 -0.0 9.2 -10.3 69 72 A S H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.838 103.3 47.8 -45.9 -46.4 3.5 8.1 -10.3 70 73 A Q H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 112.0 50.1 -66.3 -39.2 3.0 4.6 -11.8 71 74 A A H > S+ 0 0 47 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.863 110.5 49.9 -66.0 -37.3 0.8 5.9 -14.6 72 75 A I H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.931 110.9 50.8 -63.2 -47.2 3.4 8.6 -15.4 73 76 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.917 112.1 46.0 -53.9 -49.3 6.1 5.9 -15.5 74 77 A R H X S+ 0 0 81 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.888 113.2 49.1 -66.6 -39.1 4.0 3.7 -17.8 75 78 A Y H X S+ 0 0 91 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.929 114.6 43.8 -63.8 -49.2 3.1 6.6 -20.1 76 79 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.892 112.4 53.6 -62.3 -40.0 6.7 7.8 -20.5 77 80 A S H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 6,-0.4 0.882 112.1 45.1 -67.6 -35.1 7.9 4.2 -20.9 78 81 A K H ><5S+ 0 0 138 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.934 113.2 48.4 -70.6 -49.8 5.5 3.6 -23.8 79 82 A K H 3<5S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.839 119.7 40.0 -60.1 -34.4 6.2 7.0 -25.5 80 83 A Y T 3<5S- 0 0 94 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.088 111.3-112.5-109.5 21.9 10.0 6.3 -25.2 81 84 A N T < 5S+ 0 0 131 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.819 81.4 116.7 56.3 44.6 10.2 2.6 -26.0 82 85 A I < + 0 0 6 -5,-2.8 72,-2.4 -6,-0.1 73,-0.3 -0.171 51.8 87.5-124.0 36.6 11.3 1.2 -22.7 83 86 A C S S- 0 0 19 -6,-0.4 10,-0.3 1,-0.3 11,-0.2 0.333 101.9 -85.4-116.9 6.3 8.2 -0.9 -22.1 84 87 A G - 0 0 21 68,-0.3 -1,-0.3 -7,-0.2 6,-0.1 -0.107 30.9-110.4 101.8 154.4 9.1 -4.1 -23.9 85 88 A E S S+ 0 0 157 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.244 91.6 49.3-113.5 12.3 8.7 -5.0 -27.6 86 89 A S S > S- 0 0 51 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.970 86.1-111.0-143.0 157.6 5.9 -7.6 -27.4 87 90 A E H > S+ 0 0 175 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.901 122.0 46.8 -54.5 -40.4 2.5 -7.8 -25.8 88 91 A L H > S+ 0 0 93 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.919 111.9 48.5 -69.9 -42.4 3.9 -10.5 -23.4 89 92 A N H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.848 109.6 52.7 -64.6 -34.4 7.1 -8.5 -22.6 90 93 A E H X S+ 0 0 85 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.922 111.1 47.9 -63.0 -45.6 5.0 -5.4 -21.9 91 94 A F H X S+ 0 0 108 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.926 111.8 49.9 -59.6 -49.9 3.0 -7.5 -19.5 92 95 A Y H X S+ 0 0 92 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.882 108.7 50.8 -59.1 -40.4 6.1 -8.9 -17.9 93 96 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -10,-0.3 -1,-0.2 0.913 113.7 46.1 -60.6 -41.3 7.7 -5.5 -17.4 94 97 A D H X S+ 0 0 55 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.933 111.6 51.3 -66.2 -47.5 4.4 -4.3 -15.8 95 98 A M H X S+ 0 0 70 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.925 111.8 47.4 -56.3 -46.0 4.3 -7.5 -13.6 96 99 A I H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.947 111.3 50.3 -65.1 -42.7 7.8 -7.0 -12.4 97 100 A F H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 109.4 52.2 -58.1 -42.3 7.2 -3.3 -11.7 98 101 A C H X S+ 0 0 48 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.889 109.1 49.3 -63.1 -39.3 4.1 -4.3 -9.7 99 102 A G H X S+ 0 0 14 -4,-2.1 4,-2.1 -5,-0.2 5,-0.3 0.911 106.8 55.8 -64.3 -39.7 6.2 -6.8 -7.7 100 103 A V H X S+ 0 0 4 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.912 105.0 53.9 -57.8 -41.4 8.8 -4.0 -7.0 101 104 A Q H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 105.9 52.8 -60.6 -40.9 6.0 -1.9 -5.5 102 105 A D H X S+ 0 0 85 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.965 116.3 36.8 -60.0 -55.6 5.0 -4.7 -3.1 103 106 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.869 115.1 54.3 -69.4 -34.3 8.5 -5.2 -1.7 104 107 A H H X S+ 0 0 24 -4,-3.0 4,-2.9 -5,-0.3 -1,-0.2 0.927 107.9 52.3 -63.7 -41.0 9.4 -1.4 -1.8 105 108 A Y H X S+ 0 0 154 -4,-2.4 4,-1.2 -5,-0.3 -2,-0.2 0.924 109.4 48.4 -54.8 -51.5 6.2 -0.8 0.2 106 109 A K H >< S+ 0 0 70 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.928 112.8 48.4 -54.0 -48.3 7.4 -3.4 2.8 107 110 A F H >< S+ 0 0 12 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.929 113.3 48.0 -56.4 -46.9 10.8 -1.7 2.9 108 111 A N H 3< S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.677 109.1 52.5 -69.6 -18.2 9.2 1.7 3.3 109 112 A N T << S- 0 0 79 -4,-1.2 -1,-0.2 -3,-0.6 3,-0.2 -0.077 116.6 -12.5-121.5 25.6 6.8 0.6 6.1 110 113 A T < + 0 0 73 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.666 28.2 155.8 84.0 153.1 9.5 -0.9 8.2 111 114 A A S S+ 0 0 29 -4,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.988 73.7 100.6 80.9 10.2 12.0 -2.0 9.3 112 115 A A S S+ 0 0 86 -3,-0.2 2,-0.7 0, 0.0 3,-0.2 0.240 100.9 44.1-102.2 -35.1 11.0 -1.1 12.8 113 116 A N S > S+ 0 0 102 1,-0.2 4,-1.8 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B K H < S+ 0 0 37 -4,-1.9 5,-0.3 1,-0.3 -1,-0.2 0.781 110.5 49.1 -65.8 -31.7 20.6 -10.4 21.6 249 50 B K H < S+ 0 0 194 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.803 121.1 36.7 -71.8 -34.0 23.2 -13.2 21.8 250 51 B E H < S+ 0 0 68 -4,-1.9 2,-0.4 -3,-0.3 -2,-0.2 0.920 115.1 52.8 -85.1 -51.0 24.7 -11.7 24.9 251 52 B K S < S- 0 0 52 -4,-4.0 2,-1.7 -5,-0.2 -1,-0.1 -0.764 79.7-129.9 -96.8 131.8 21.6 -10.3 26.7 252 53 B D + 0 0 144 -2,-0.4 15,-0.1 -3,-0.1 -4,-0.1 -0.577 36.9 177.4 -81.9 80.7 18.5 -12.5 27.5 253 54 B T - 0 0 13 -2,-1.7 5,-0.1 -5,-0.3 7,-0.1 -0.588 29.7-137.4 -81.7 148.0 15.7 -10.3 26.1 254 55 B P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.767 98.1 18.0 -80.3 -23.8 12.2 -11.7 26.3 255 56 B F S S- 0 0 125 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.212 101.2-112.4-130.8 12.1 11.0 -10.6 22.8 256 57 B E S S+ 0 0 130 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.830 82.2 117.5 52.4 37.8 14.3 -9.9 21.0 257 58 B Q - 0 0 91 2,-0.1 -2,-0.2 -9,-0.0 -1,-0.2 -0.862 54.7-102.6-125.4 161.8 13.3 -6.2 21.0 258 59 B V S S+ 0 0 21 -2,-0.3 2,-0.2 -3,-0.1 -50,-0.1 -0.858 78.6 76.6-122.0 159.8 14.6 -2.9 22.4 259 60 B P + 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.371 61.5 177.1 -61.1 144.6 14.3 -0.7 24.5 260 61 B I E -DF 207 269B 0 -53,-1.9 -53,-3.4 -2,-0.2 2,-0.5 -0.993 13.6-162.9-116.3 132.7 15.9 -2.9 27.1 261 62 B L E -DF 206 268B 0 7,-2.6 7,-2.3 -2,-0.4 2,-0.5 -0.981 8.3-165.7-111.0 115.1 16.5 -1.3 30.6 262 63 B Q E -DF 205 267B 28 -57,-3.1 -57,-2.3 -2,-0.5 2,-0.5 -0.880 8.9-175.9-100.3 129.3 19.0 -3.3 32.7 263 64 B I E > -DF 204 266B 38 3,-2.3 3,-2.7 -2,-0.5 2,-0.4 -0.980 69.6 -49.1-123.4 110.1 19.2 -2.6 36.4 264 65 B G T 3 S- 0 0 50 -61,-2.3 -59,-0.1 -2,-0.5 -2,-0.0 -0.468 124.9 -23.9 61.4-115.4 22.0 -4.6 37.9 265 66 B D T 3 S+ 0 0 67 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.584 114.5 110.1 -94.2 -13.2 21.3 -8.1 36.6 266 67 B L E < -F 263 0B 88 -3,-2.7 -3,-2.3 1,-0.1 2,-0.5 -0.488 55.0-153.4 -79.9 126.9 17.6 -7.4 36.0 267 68 B I E -F 262 0B 44 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.857 10.8-172.1 -99.0 123.3 16.4 -7.2 32.4 268 69 B L E -F 261 0B 30 -7,-2.3 -7,-2.6 -2,-0.5 2,-0.2 -0.972 6.3-178.6-113.9 125.6 13.3 -5.1 31.7 269 70 B A E +F 260 0B 21 -2,-0.5 -9,-0.1 -9,-0.2 -11,-0.1 -0.730 42.4 60.9-113.0 172.2 11.6 -5.0 28.2 270 71 B Q >> - 0 0 84 -11,-0.7 4,-2.9 -2,-0.2 3,-0.5 0.894 66.6-131.4 75.4 99.9 8.6 -3.2 26.7 271 72 B S H 3> S+ 0 0 18 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.831 105.0 47.0 -46.0 -46.7 8.9 0.5 26.7 272 73 B Q H 3> S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.874 113.6 48.7 -70.7 -36.1 5.4 1.2 28.1 273 74 B A H <> S+ 0 0 46 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.880 112.7 49.9 -65.5 -38.2 5.9 -1.4 30.9 274 75 B I H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.964 111.0 48.6 -65.5 -47.9 9.3 0.2 31.6 275 76 B V H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.937 112.5 47.6 -55.0 -53.6 7.7 3.6 31.8 276 77 B R H X S+ 0 0 82 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.903 111.7 50.6 -54.3 -45.5 4.9 2.4 34.2 277 78 B Y H X S+ 0 0 102 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.916 113.3 44.1 -62.1 -47.5 7.3 0.6 36.5 278 79 B L H X S+ 0 0 4 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-0.952 85.0-114.9-142.0 159.3 -5.1 8.2 43.8 289 90 B E H > S+ 0 0 173 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.915 119.9 47.5 -54.9 -47.4 -6.5 5.1 42.1 290 91 B L H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.918 113.0 47.9 -64.3 -42.8 -8.6 7.3 39.8 291 92 B N H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.891 108.3 54.3 -68.5 -34.9 -5.6 9.6 39.0 292 93 B E H X S+ 0 0 101 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.928 111.6 46.2 -60.7 -43.4 -3.4 6.6 38.3 293 94 B F H X S+ 0 0 113 -4,-2.0 4,-3.8 2,-0.2 -2,-0.2 0.923 112.3 49.5 -62.6 -47.7 -6.0 5.4 35.9 294 95 B Y H X S+ 0 0 100 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.928 109.8 51.6 -61.8 -39.8 -6.3 8.9 34.2 295 96 B A H X S+ 0 0 0 -4,-2.9 4,-2.2 -10,-0.2 -1,-0.2 0.923 114.9 43.6 -55.7 -44.9 -2.5 9.1 33.9 296 97 B D H X S+ 0 0 54 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.959 112.2 51.0 -67.8 -55.6 -2.6 5.7 32.2 297 98 B M H X S+ 0 0 69 -4,-3.8 4,-2.1 1,-0.2 -1,-0.2 0.880 111.1 50.2 -47.3 -45.2 -5.7 6.6 30.0 298 99 B I H X S+ 0 0 4 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.920 109.8 48.8 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-0.7 8.3 13.5 309 110 B F H >< S+ 0 0 21 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.900 111.6 48.6 -63.7 -41.7 2.0 11.0 13.5 310 111 B N H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.594 121.9 34.1 -73.3 -15.7 4.7 8.3 13.0 311 112 B N T 3< S+ 0 0 91 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.037 90.6 92.8-127.9 23.4 2.8 6.6 10.1 312 113 B T S <> S- 0 0 17 -3,-0.8 4,-0.7 -4,-0.1 7,-0.2 0.148 77.5-144.8-107.3 22.6 1.1 9.6 8.4 313 114 B A T 4 - 0 0 82 1,-0.1 -3,-0.0 2,-0.1 -4,-0.0 0.056 50.3 -13.1 -60.6 136.6 3.9 10.1 5.9 314 115 B A T 4 S- 0 0 46 2,-0.1 -1,-0.1 -5,-0.1 3,-0.1 0.557 112.6 -37.5-147.0 148.8 4.4 12.8 5.1 315 116 B N T 4 S- 0 0 14 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.880 74.2-174.4 31.1 56.0 2.8 16.1 5.4 316 117 B E X - 0 0 86 -4,-0.7 4,-2.1 1,-0.1 -1,-0.2 -0.588 22.5-145.1 -66.3 128.6 -0.4 14.2 4.9 317 118 B T H > S+ 0 0 36 -2,-0.3 4,-3.3 2,-0.2 5,-0.3 0.823 97.4 56.1 -67.5 -38.1 -3.2 16.7 4.7 318 119 B T H >>S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-1.4 0.924 107.7 49.8 -65.1 -44.4 -5.7 14.4 6.5 319 120 B F H 4>S+ 0 0 0 3,-0.2 5,-2.9 -7,-0.2 -2,-0.2 0.963 117.2 40.4 -53.5 -53.3 -3.3 14.2 9.4 320 121 B L H <5S+ 0 0 33 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.840 125.9 34.0 -68.8 -33.9 -2.9 18.0 9.6 321 122 B N H <5S+ 0 0 105 -4,-3.3 -1,-0.2 -5,-0.1 -3,-0.2 0.607 134.4 14.4 -97.8 -14.4 -6.6 18.9 8.9 322 123 B E T X5S+ 0 0 101 -4,-2.3 4,-1.5 -5,-0.3 -3,-0.2 0.669 125.2 34.8-123.8 -68.6 -8.4 16.0 10.7 323 124 B D H > S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.845 115.5 51.3 -49.4 -39.1 -6.5 19.1 15.4 326 127 B K H X S+ 0 0 73 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.936 113.0 41.8 -70.0 -51.1 -9.0 16.5 16.8 327 128 B W H X S+ 0 0 36 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.879 112.0 55.8 -66.0 -35.2 -6.6 14.8 19.2 328 129 B S H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.889 105.7 52.8 -61.3 -40.7 -5.2 18.2 20.2 329 130 B G H X S+ 0 0 23 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.892 105.7 54.6 -58.7 -44.8 -8.7 19.2 21.1 330 131 B Y H X S+ 0 0 105 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.932 112.6 41.1 -52.2 -51.8 -9.0 16.0 23.3 331 132 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-6,-0.1 2,-0.3 -0.362 45.7-174.3 -65.1 134.8 3.8 15.9 37.5 352 156 B T >> - 0 0 2 -67,-0.1 4,-1.2 -2,-0.1 3,-1.2 -0.847 44.0-107.1-115.8 161.9 2.9 12.4 36.1 353 157 B Y H 3> S+ 0 0 6 -69,-2.7 4,-2.0 -2,-0.3 5,-0.1 0.739 119.3 70.8 -56.1 -22.3 4.5 10.5 33.3 354 158 B A H 3> S+ 0 0 0 -70,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.870 95.6 50.6 -62.6 -37.0 1.4 11.6 31.3 355 159 B D H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.898 112.0 46.4 -61.2 -40.3 2.8 15.2 31.3 356 160 B L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.792 111.4 52.9 -78.1 -28.8 6.1 14.0 30.0 357 161 B A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 111.7 43.6 -67.5 -48.5 4.3 11.8 27.4 358 162 B V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.924 113.8 52.7 -65.0 -42.2 2.2 14.7 26.0 359 163 B F H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.957 110.8 46.7 -55.0 -52.2 5.4 16.8 26.1 360 164 B N H X S+ 0 0 17 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.909 111.6 52.5 -52.9 -51.2 7.3 14.2 24.1 361 165 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.956 115.4 37.3 -45.9 -65.7 4.4 13.9 21.6 362 166 B Y H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.789 114.5 55.9 -68.3 -28.0 4.1 17.6 20.7 363 167 B D H X S+ 0 0 30 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.942 110.5 45.5 -61.5 -50.9 7.8 18.1 20.9 364 168 B D H X S+ 0 0 50 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.917 117.4 45.7 -54.7 -47.4 8.2 15.3 18.3 365 169 B I H >X S+ 0 0 0 -4,-2.5 3,-3.5 1,-0.2 4,-2.6 0.989 106.1 57.5 -62.0 -66.6 5.4 16.9 16.3 366 170 B E H 3< S+ 0 0 57 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.697 97.6 62.7 -30.7 -40.3 6.7 20.5 16.5 367 171 B T H 3< S+ 0 0 98 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.787 118.9 27.4 -63.9 -27.1 10.0 19.5 14.9 368 172 B K H << S+ 0 0 104 -3,-3.5 -2,-0.2 -4,-0.5 -1,-0.2 0.806 133.3 33.7-101.0 -42.4 8.1 18.6 11.8 369 173 B Y S >< S- 0 0 17 -4,-2.6 3,-1.3 -5,-0.1 -1,-0.2 -0.797 77.2-158.5-118.8 89.3 5.1 20.9 12.1 370 174 B P T 3 S+ 0 0 70 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.346 78.7 26.3 -59.1 147.9 6.0 24.2 13.8 371 175 B S T > S+ 0 0 68 1,-0.1 3,-1.3 3,-0.0 4,-0.3 0.597 74.3 137.0 73.1 16.5 3.1 26.1 15.3 372 176 B S T < S+ 0 0 20 -3,-1.3 3,-0.3 1,-0.2 -1,-0.1 0.792 72.8 51.6 -57.2 -31.8 1.0 22.9 15.9 373 177 B L T > S+ 0 0 7 1,-0.2 3,-2.0 -11,-0.1 7,-0.4 0.432 78.6 107.6 -89.2 2.4 0.1 24.2 19.4 374 178 B K T < S+ 0 0 134 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.883 82.2 38.4 -46.9 -54.8 -1.2 27.6 18.1 375 179 B N T 3 S+ 0 0 135 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.149 105.3 74.7 -86.8 20.2 -4.9 27.1 18.6 376 180 B F <> + 0 0 31 -3,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.771 56.5 177.6-137.0 83.3 -4.6 25.2 21.9 377 181 B P H > S+ 0 0 83 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.880 80.7 43.1 -63.0 -45.0 -3.7 27.7 24.7 378 182 B L H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 116.0 51.2 -66.6 -38.7 -3.6 25.3 27.7 379 183 B L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 111.5 45.1 -66.2 -40.2 -1.7 22.7 25.6 380 184 B K H X S+ 0 0 80 -4,-2.4 4,-2.1 -7,-0.4 -1,-0.2 0.916 114.7 48.9 -68.3 -43.0 1.0 25.2 24.4 381 185 B A H X S+ 0 0 25 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.861 111.4 50.2 -63.6 -40.1 1.3 26.6 28.0 382 186 B H H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.926 109.2 51.7 -61.1 -46.9 1.7 23.0 29.3 383 187 B N H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.867 113.3 44.4 -58.6 -37.5 4.3 22.3 26.7 384 188 B E H X S+ 0 0 129 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.910 110.5 54.3 -72.9 -47.7 6.2 25.4 27.8 385 189 B F H >X S+ 0 0 62 -4,-2.8 4,-0.7 1,-0.2 3,-0.7 0.971 113.7 42.2 -47.5 -56.0 5.8 24.7 31.5 386 190 B I H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 7,-0.2 0.889 109.3 56.3 -64.5 -40.9 7.3 21.2 31.0 387 191 B S H 3< S+ 0 0 37 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 109.3 48.9 -65.8 -22.3 10.1 22.2 28.7 388 192 B N H << S+ 0 0 82 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.539 72.2 117.5 -96.5 -9.2 11.4 24.7 31.3 389 193 B L S XX S- 0 0 34 -3,-1.0 4,-3.1 -4,-0.7 3,-0.6 -0.448 78.4-119.1 -56.2 129.4 11.4 22.5 34.4 390 194 B P H 3> S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 108.5 49.6 -49.8 -45.6 15.2 22.7 35.0 391 195 B N H 3> S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -167,-0.1 0.897 118.1 39.4 -61.4 -39.8 16.0 19.0 34.7 392 196 B I H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.931 112.2 56.2 -77.9 -44.2 14.1 18.7 31.3 393 197 B K H X S+ 0 0 103 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.911 112.3 44.8 -44.2 -49.4 15.4 22.1 30.1 394 198 B N H X S+ 0 0 102 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.887 110.2 52.9 -63.5 -43.8 18.9 20.8 30.6 395 199 B Y H X S+ 0 0 35 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.856 111.0 48.6 -60.0 -39.0 18.2 17.4 29.0 396 200 B I H < S+ 0 0 46 -4,-2.3 3,-0.3 2,-0.2 -1,-0.2 0.878 107.7 51.4 -73.3 -45.4 16.9 19.1 25.9 397 201 B T H < S+ 0 0 96 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.2 43.4 -60.4 -41.6 19.8 21.6 25.4 398 202 B N H < S+ 0 0 121 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.649 91.8 100.4 -81.1 -14.8 22.2 18.7 25.7 399 203 B R < 0 0 30 -4,-0.8 -3,-0.0 -3,-0.3 -4,-0.0 -0.470 360.0 360.0 -70.5 142.9 20.3 16.3 23.5 400 204 B K 0 0 157 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.343 360.0 360.0 -74.9 360.0 21.6 16.1 19.9