==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-AUG-03 1Q4J . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.PERBANDT,C.BETZEL,E.LIEBAU . 418 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 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 . 32 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 0 2 0 0 2 2 4 2 0 0 2 2 0 0 0 0 0 0 0 1 1 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 3 A D 0 0 159 0, 0.0 2,-0.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0-169.5 7.0 22.2 -23.9 2 4 A N - 0 0 95 26,-0.0 61,-1.9 60,-0.0 2,-0.5 -0.604 360.0-146.9 -67.4 125.4 8.7 22.6 -20.5 3 5 A I E -A 62 0A 25 -2,-0.4 26,-2.7 24,-0.3 2,-0.4 -0.876 18.3-176.1 -94.1 124.5 8.5 19.5 -18.5 4 6 A V E -Ab 61 29A 14 57,-2.7 57,-3.1 -2,-0.5 2,-0.5 -0.998 11.2-159.9-124.4 128.2 8.2 20.1 -14.8 5 7 A L E -Ab 60 30A 0 24,-3.0 26,-1.9 -2,-0.4 2,-0.5 -0.921 11.2-160.5-103.5 129.5 8.3 17.3 -12.2 6 8 A Y E +Ab 59 31A 29 53,-2.7 53,-1.7 -2,-0.5 2,-0.3 -0.957 29.8 123.7-118.5 124.2 6.8 18.2 -8.8 7 9 A Y E - b 0 32A 12 24,-2.0 26,-2.7 -2,-0.5 2,-0.0 -0.928 59.0 -76.2-159.8 176.2 7.5 16.3 -5.7 8 10 A F E - b 0 33A 14 -2,-0.3 2,-2.2 24,-0.3 26,-0.2 -0.284 63.8 -83.8 -73.0 167.7 8.8 16.6 -2.1 9 11 A D S S+ 0 0 55 24,-1.4 2,-0.3 23,-0.2 -1,-0.1 -0.484 100.5 79.1 -74.2 74.0 12.6 16.9 -1.5 10 12 A A S S- 0 0 1 -2,-2.2 4,-0.1 1,-0.2 197,-0.0 -0.985 81.8-114.2-167.2 169.1 13.2 13.1 -1.7 11 13 A R S >> S+ 0 0 29 198,-2.2 3,-1.7 -2,-0.3 4,-1.5 0.960 75.8 107.8 -77.8 -69.1 13.6 10.1 -3.8 12 14 A G G >4 S- 0 0 24 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.104 93.8 -4.6 32.8-124.3 10.4 8.2 -2.8 13 15 A K G 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.521 135.6 51.4 -76.6 -12.1 7.7 8.1 -5.5 14 16 A A G X> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.1 3,-0.5 0.682 83.8 85.3 -97.3 -19.3 9.4 10.4 -7.9 15 17 A E H S+ 0 0 12 -4,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.917 109.0 51.4 -58.9 -42.6 12.0 6.2 -10.9 17 19 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 -4,-0.2 -1,-0.2 0.907 110.3 49.1 -58.5 -41.1 10.6 9.0 -13.0 18 20 A R H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.836 109.2 53.2 -67.3 -34.2 13.8 10.9 -12.6 19 21 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.2 -2,-0.2 0.910 108.0 49.7 -68.9 -41.0 15.8 7.9 -13.5 20 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 6,-0.2 0.934 112.4 47.2 -60.2 -49.1 13.8 7.5 -16.7 21 23 A F H X>S+ 0 0 3 -4,-2.5 4,-1.5 2,-0.2 5,-1.4 0.943 114.3 47.7 -57.0 -49.3 14.4 11.1 -17.6 22 24 A A H ><5S+ 0 0 18 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.961 114.2 47.5 -53.7 -50.1 18.1 10.7 -16.8 23 25 A Y H 3<5S+ 0 0 70 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.5 42.1 -61.4 -41.3 18.2 7.5 -18.8 24 26 A L H 3<5S- 0 0 49 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.601 106.3-123.7 -82.9 -11.9 16.4 9.1 -21.8 25 27 A G T <<5 + 0 0 57 -4,-1.5 2,-0.4 -3,-0.6 -3,-0.2 0.692 53.3 159.7 76.7 19.4 18.3 12.4 -21.7 26 28 A I < - 0 0 31 -5,-1.4 2,-0.3 -6,-0.2 -1,-0.3 -0.639 36.3-133.3 -82.1 124.4 15.1 14.4 -21.4 27 29 A E + 0 0 181 -2,-0.4 -24,-0.3 -5,-0.0 2,-0.3 -0.556 40.7 145.5 -75.5 138.1 15.5 17.9 -20.0 28 30 A Y - 0 0 49 -2,-0.3 2,-0.6 -26,-0.1 -24,-0.2 -0.979 49.8 -97.9-162.6 169.9 13.1 19.0 -17.3 29 31 A T E -b 4 0A 78 -26,-2.7 -24,-3.0 -2,-0.3 2,-1.2 -0.857 26.2-151.6-100.4 123.2 12.7 21.0 -14.2 30 32 A D E -b 5 0A 51 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.1 -0.676 17.6-171.3 -96.6 81.1 13.0 19.0 -10.9 31 33 A K E -b 6 0A 88 -26,-1.9 -24,-2.0 -2,-1.2 2,-0.5 -0.609 1.8-172.4 -79.7 126.7 10.8 21.0 -8.6 32 34 A R E > -b 7 0A 28 -2,-0.4 3,-0.8 -26,-0.2 -24,-0.3 -0.977 15.7-138.2-126.8 118.2 11.1 19.8 -5.0 33 35 A F E 3 S+b 8 0A 4 -26,-2.7 -24,-1.4 -2,-0.5 6,-0.2 -0.502 83.4 19.7 -75.9 138.4 8.9 21.2 -2.2 34 36 A G T 3 S+ 0 0 20 4,-0.3 5,-0.3 3,-0.2 4,-0.3 0.742 72.2 133.1 81.2 22.7 10.5 21.9 1.1 35 37 A V S < S+ 0 0 65 -3,-0.8 3,-0.1 2,-0.2 -2,-0.1 0.917 92.1 12.7 -65.2 -41.4 14.1 22.1 0.1 36 38 A N S S+ 0 0 163 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.759 135.4 14.2-110.6 -33.6 14.4 25.3 2.1 37 39 A G S S- 0 0 42 1,-0.1 5,-0.3 2,-0.0 -3,-0.2 -0.714 108.0 -43.0-158.4 111.3 11.3 25.6 4.3 38 40 A D >> - 0 0 73 -4,-0.3 4,-1.4 -2,-0.3 3,-0.7 0.929 46.3-145.8 44.2 96.2 8.6 23.3 5.5 39 41 A A H 3> S+ 0 0 11 -5,-0.3 4,-3.2 -6,-0.2 5,-0.3 0.880 92.6 65.0 -56.0 -40.4 7.3 21.2 2.6 40 42 A F H 3> S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 103.6 46.8 -58.7 -35.4 3.7 21.1 3.8 41 43 A V H <> S+ 0 0 58 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.911 114.4 47.0 -71.1 -41.9 3.3 24.9 3.3 42 44 A E H X S+ 0 0 55 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.905 111.9 49.6 -66.5 -41.1 4.9 24.8 -0.1 43 45 A F H X S+ 0 0 12 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.893 109.5 53.6 -63.1 -36.9 2.7 21.9 -1.2 44 46 A K H X S+ 0 0 103 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.953 109.6 46.3 -62.9 -45.5 -0.3 23.8 0.1 45 47 A N H X S+ 0 0 67 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.864 110.0 56.4 -68.6 -32.4 0.6 26.9 -2.0 46 48 A F H >X S+ 0 0 6 -4,-2.2 4,-1.5 1,-0.2 3,-0.5 0.922 104.5 50.1 -62.0 -48.6 1.2 24.6 -5.0 47 49 A K H 3< S+ 0 0 39 -4,-2.2 5,-0.2 1,-0.2 -1,-0.2 0.815 105.9 58.0 -62.2 -30.2 -2.3 23.0 -4.9 48 50 A K H 3< S+ 0 0 155 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.3 35.6 -66.7 -34.3 -3.9 26.5 -4.8 49 51 A E H << S+ 0 0 149 -4,-1.1 2,-0.4 -3,-0.5 -2,-0.2 0.613 116.6 58.9 -94.0 -13.0 -2.2 27.4 -8.1 50 52 A K S < S- 0 0 41 -4,-1.5 2,-1.0 -5,-0.1 -1,-0.1 -0.961 72.2-133.5-127.7 134.8 -2.4 24.0 -9.8 51 53 A D + 0 0 139 -2,-0.4 -3,-0.1 -3,-0.0 -4,-0.1 -0.716 34.3 175.2 -81.4 99.1 -5.4 21.8 -10.7 52 54 A T - 0 0 13 -2,-1.0 5,-0.1 -5,-0.2 3,-0.0 -0.791 33.9-133.0-104.0 145.0 -4.3 18.3 -9.6 53 55 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.857 101.8 13.0 -67.1 -29.7 -6.7 15.3 -9.9 54 56 A F S S- 0 0 122 2,-0.3 3,-0.1 -3,-0.0 -3,-0.0 0.190 98.8-112.9-134.4 14.1 -6.1 14.0 -6.4 55 57 A E S S+ 0 0 119 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.829 82.0 108.7 53.6 37.7 -4.2 16.8 -4.5 56 58 A Q - 0 0 101 2,-0.1 -2,-0.3 -9,-0.0 -1,-0.2 -0.969 58.9 -92.5-137.8 159.5 -1.1 14.6 -4.3 57 59 A V S S+ 0 0 21 -2,-0.3 -50,-0.1 -3,-0.1 2,-0.1 -0.776 79.8 72.3-112.3 165.0 2.3 14.5 -5.8 58 60 A P + 0 0 6 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.340 62.0 172.9 -63.4 151.2 4.1 13.5 -7.9 59 61 A I E -AC 6 68A 0 -53,-1.7 -53,-2.7 9,-0.2 2,-0.6 -0.996 17.9-158.4-127.3 133.2 2.7 15.6 -10.6 60 62 A L E -AC 5 67A 0 7,-3.1 7,-2.9 -2,-0.4 2,-0.6 -0.971 7.8-165.7-113.6 119.7 4.3 15.8 -14.1 61 63 A Q E +AC 4 66A 18 -57,-3.1 -57,-2.7 -2,-0.6 2,-0.6 -0.939 9.8 179.2-107.6 116.9 3.4 18.8 -16.0 62 64 A I E > S-AC 3 65A 42 3,-1.7 3,-2.0 -2,-0.6 2,-0.4 -0.954 72.4 -45.9-114.8 105.5 4.2 18.8 -19.8 63 65 A G T 3 S- 0 0 7 -61,-1.9 -59,-0.1 -2,-0.6 -2,-0.0 -0.612 123.6 -27.1 67.7-124.0 3.0 22.1 -21.2 64 66 A D T 3 S+ 0 0 156 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.330 113.8 113.8 -97.5 1.5 -0.4 22.7 -19.7 65 67 A L E < -C 62 0A 90 -3,-2.0 -3,-1.7 2,-0.0 2,-0.5 -0.627 53.9-157.1 -74.3 125.2 -0.9 18.9 -19.4 66 68 A I E -C 61 0A 53 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.928 10.1-173.7-105.6 119.2 -1.1 17.8 -15.7 67 69 A L E -C 60 0A 32 -7,-2.9 -7,-3.1 -2,-0.5 2,-0.3 -0.954 4.4-177.3-113.5 127.2 -0.3 14.1 -15.1 68 70 A A E +C 59 0A 19 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.763 42.7 61.4-116.5 170.8 -0.7 12.5 -11.7 69 71 A Q > - 0 0 90 -11,-0.8 4,-2.6 -2,-0.3 3,-0.4 0.889 65.0-132.4 77.4 105.4 0.0 9.1 -10.2 70 72 A S H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 103.4 49.2 -51.1 -47.6 3.6 8.0 -10.3 71 73 A Q H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 112.6 46.4 -63.5 -40.8 3.0 4.5 -11.7 72 74 A A H > S+ 0 0 47 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.852 111.2 53.2 -71.4 -35.6 0.8 5.8 -14.5 73 75 A I H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.964 108.2 50.5 -63.0 -48.6 3.3 8.5 -15.3 74 76 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.913 111.6 47.5 -54.0 -44.8 6.1 5.8 -15.6 75 77 A R H X S+ 0 0 88 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.919 113.0 48.0 -66.6 -42.8 4.0 3.6 -17.9 76 78 A Y H X S+ 0 0 97 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.954 114.1 45.8 -61.2 -51.4 3.1 6.5 -20.2 77 79 A L H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.913 113.7 51.1 -57.1 -41.0 6.7 7.8 -20.4 78 80 A S H <>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.3 6,-0.3 0.845 111.4 45.5 -72.4 -35.5 7.9 4.2 -21.0 79 81 A K H ><5S+ 0 0 142 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.926 113.5 50.9 -71.4 -45.5 5.5 3.6 -23.8 80 82 A K H 3<5S+ 0 0 106 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.948 118.4 36.7 -56.6 -44.7 6.2 6.9 -25.4 81 83 A Y T 3<5S- 0 0 94 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.102 112.4-111.1-104.8 24.9 10.0 6.4 -25.3 82 84 A N T < 5S+ 0 0 139 -3,-1.2 -3,-0.2 1,-0.1 3,-0.1 0.827 81.3 117.7 57.7 45.0 10.1 2.7 -26.1 83 85 A I < + 0 0 6 -5,-2.6 75,-2.4 -6,-0.1 76,-0.3 -0.254 52.8 87.5-125.1 42.0 11.3 1.2 -22.8 84 86 A C S S- 0 0 19 1,-0.5 3,-0.2 -6,-0.3 10,-0.2 0.033 100.6 -90.8-124.5 24.7 8.2 -0.9 -22.2 85 87 A G - 0 0 20 71,-0.3 -1,-0.5 1,-0.1 3,-0.1 -0.201 28.9-105.7 88.4 177.8 9.1 -4.1 -24.1 86 88 A E S S+ 0 0 134 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.205 93.5 50.7-133.7 12.7 8.5 -5.1 -27.7 87 89 A S S > S- 0 0 52 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.965 85.2-114.1-144.6 157.4 5.8 -7.6 -27.5 88 90 A E H > S+ 0 0 176 -2,-0.3 4,-1.5 2,-0.2 5,-0.1 0.846 119.6 50.2 -59.5 -33.7 2.4 -7.5 -25.7 89 91 A L H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 110.1 46.2 -72.8 -52.1 3.7 -10.2 -23.5 90 92 A N H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.813 109.1 57.7 -57.1 -30.9 7.0 -8.5 -22.6 91 93 A E H X S+ 0 0 91 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.927 108.9 45.8 -65.5 -41.7 4.9 -5.4 -22.0 92 94 A F H X S+ 0 0 107 -4,-1.5 4,-3.3 2,-0.2 -2,-0.2 0.934 111.1 52.3 -64.5 -45.0 2.9 -7.4 -19.4 93 95 A Y H X S+ 0 0 95 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.916 108.2 49.4 -61.5 -42.4 6.1 -8.8 -17.9 94 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.935 113.6 48.3 -57.6 -44.3 7.7 -5.4 -17.4 95 97 A D H X S+ 0 0 54 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.931 111.1 49.9 -63.0 -48.4 4.4 -4.3 -15.8 96 98 A M H X S+ 0 0 72 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.902 111.3 48.8 -55.1 -44.3 4.3 -7.4 -13.5 97 99 A I H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.944 110.1 51.6 -66.0 -44.8 7.9 -6.9 -12.4 98 100 A F H X S+ 0 0 12 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.923 109.6 49.4 -56.8 -45.4 7.2 -3.2 -11.6 99 101 A C H X S+ 0 0 55 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.866 110.1 51.4 -63.8 -35.2 4.2 -4.2 -9.5 100 102 A G H X S+ 0 0 13 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.919 106.3 54.5 -64.7 -42.5 6.3 -6.7 -7.7 101 103 A V H X S+ 0 0 3 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.904 105.3 54.3 -57.8 -39.6 8.9 -4.1 -7.0 102 104 A Q H X S+ 0 0 50 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 104.5 53.9 -64.2 -38.2 6.2 -1.9 -5.5 103 105 A D H X S+ 0 0 86 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.965 117.9 35.0 -59.1 -53.9 5.2 -4.8 -3.1 104 106 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.854 114.3 57.3 -73.0 -31.5 8.8 -5.2 -1.7 105 107 A H H X S+ 0 0 23 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.944 105.8 51.4 -62.4 -45.7 9.7 -1.5 -1.9 106 108 A Y H X S+ 0 0 138 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.918 110.0 49.2 -57.4 -46.2 6.7 -0.6 0.3 107 109 A K H X S+ 0 0 69 -4,-1.6 4,-1.4 2,-0.2 5,-0.2 0.907 110.5 50.6 -60.5 -42.3 7.9 -3.2 2.9 108 110 A F H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.906 112.9 45.9 -63.7 -42.2 11.4 -1.8 2.8 109 111 A N H < S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 110.6 53.2 -66.7 -38.6 10.2 1.7 3.3 110 112 A N H < S+ 0 0 60 -4,-2.5 6,-0.3 -5,-0.2 -1,-0.2 0.755 120.0 32.5 -70.2 -23.4 7.8 0.7 6.1 111 113 A T H X S+ 0 0 13 -4,-1.4 4,-1.8 -3,-0.2 5,-0.3 0.756 101.9 81.1-107.5 -31.8 10.6 -1.1 8.1 112 114 A N T < S+ 0 0 13 -4,-2.7 2,-1.2 -5,-0.2 4,-0.1 -0.449 96.3 23.6 -68.3 151.5 13.7 1.0 7.3 113 115 A L T 4 S+ 0 0 21 1,-0.2 -1,-0.2 -2,-0.1 306,-0.1 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18.4 10.0 37.7 237 29 B E + 0 0 188 -2,-0.5 -24,-0.3 -3,-0.1 2,-0.3 -0.682 37.1 146.3 -88.3 144.4 21.8 9.2 36.2 238 30 B Y - 0 0 52 -2,-0.3 2,-0.7 -26,-0.1 -24,-0.2 -0.963 50.8 -91.3-164.0 166.3 22.1 6.4 33.8 239 31 B T E -e 214 0B 71 -26,-2.7 -24,-2.7 -2,-0.3 2,-1.3 -0.816 28.5-151.7 -95.0 118.8 24.0 5.3 30.6 240 32 B D E -e 215 0B 48 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.2 -0.693 16.7-167.7 -87.5 81.7 22.2 6.2 27.4 241 33 B K E -e 216 0B 104 -26,-2.0 -24,-1.9 -2,-1.3 2,-0.5 -0.653 5.4-175.5 -74.5 117.4 23.5 3.5 25.0 242 34 B R E > -e 217 0B 24 -2,-0.6 3,-1.4 -26,-0.2 4,-0.4 -0.966 24.0-128.2-115.5 120.0 22.6 4.3 21.4 243 35 B F E 3 S+e 218 0B 12 -26,-2.3 -24,-1.0 -2,-0.5 6,-0.2 -0.472 92.4 30.6 -66.6 136.2 23.4 1.7 18.8 244 36 B G T > S+ 0 0 25 3,-0.4 3,-0.9 4,-0.3 -1,-0.2 0.253 83.9 102.9 100.8 -11.8 25.4 3.2 16.0 245 37 B V T < S+ 0 0 91 -3,-1.4 -2,-0.1 1,-0.3 3,-0.1 0.869 90.6 44.4 -66.2 -38.6 27.2 5.9 17.9 246 38 B N T 3 S- 0 0 149 -4,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.350 133.3 -98.7 -80.1 7.2 30.3 3.6 17.7 247 39 B G S < S+ 0 0 37 -3,-0.9 -3,-0.4 4,-0.0 -1,-0.3 0.054 97.5 56.8 86.5 155.4 29.4 3.0 14.1 248 40 B D > - 0 0 99 -4,-0.2 4,-1.8 -5,-0.1 3,-0.5 0.959 52.3-171.4 54.5 70.0 27.4 0.0 12.6 249 41 B A H > S+ 0 0 23 -6,-0.2 4,-2.7 1,-0.2 5,-0.3 0.895 83.2 62.1 -53.3 -43.1 24.1 -0.0 14.5 250 42 B F H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 105.6 43.2 -51.3 -48.5 23.3 -3.4 12.9 251 43 B V H > S+ 0 0 64 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.928 114.5 49.7 -71.4 -41.4 26.3 -5.2 14.5 252 44 B E H X S+ 0 0 40 -4,-1.8 4,-3.5 2,-0.2 5,-0.2 0.981 112.4 46.4 -59.9 -58.0 25.9 -3.6 17.9 253 45 B F H X S+ 0 0 17 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.852 114.8 49.4 -51.2 -37.2 22.2 -4.5 18.1 254 46 B K H X S+ 0 0 60 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.906 113.7 44.4 -70.0 -42.5 23.1 -8.0 16.9 255 47 B N H X S+ 0 0 73 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.852 109.8 58.1 -70.1 -34.1 25.8 -8.3 19.5 256 48 B F H X S+ 0 0 11 -4,-3.5 4,-2.7 -5,-0.2 -2,-0.2 0.898 103.3 50.5 -60.0 -46.6 23.5 -6.9 22.1 257 49 B K H < S+ 0 0 30 -4,-1.7 5,-0.3 -5,-0.2 -1,-0.2 0.773 111.8 50.0 -64.0 -27.7 20.8 -9.7 21.5 258 50 B K H < S+ 0 0 164 -4,-1.0 -2,-0.2 -3,-0.1 -1,-0.2 0.906 117.1 38.8 -73.4 -43.0 23.6 -12.3 21.9 259 51 B E H < S+ 0 0 137 -4,-2.1 2,-0.3 -5,-0.1 -2,-0.2 0.814 114.9 53.4 -78.5 -36.5 24.9 -10.8 25.2 260 52 B K S < S- 0 0 47 -4,-2.7 2,-1.2 -5,-0.2 0, 0.0 -0.789 78.9-128.0-107.9 147.2 21.6 -9.8 26.8 261 53 B D - 0 0 139 -2,-0.3 15,-0.1 4,-0.0 -4,-0.1 -0.729 36.0-179.3 -94.9 83.0 18.6 -12.0 27.5 262 54 B T - 0 0 16 -2,-1.2 5,-0.1 -5,-0.3 7,-0.0 -0.634 27.1-139.9 -84.4 143.6 15.8 -9.9 25.9 263 55 B P S S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.820 98.1 14.2 -71.2 -34.3 12.3 -11.3 26.1 264 56 B F S S- 0 0 127 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.144 102.1-111.7-129.9 18.2 11.2 -10.3 22.5 265 57 B E S S+ 0 0 120 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.796 80.5 116.4 55.2 35.6 14.5 -9.4 20.9 266 58 B Q - 0 0 98 2,-0.1 -2,-0.2 -9,-0.0 -1,-0.2 -0.861 54.4-100.9-130.7 161.4 13.5 -5.7 20.8 267 59 B V S S+ 0 0 21 -2,-0.3 2,-0.2 -3,-0.1 -50,-0.1 -0.886 79.0 74.5-123.4 158.3 14.6 -2.4 22.2 268 60 B P + 0 0 7 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.354 62.0 171.4 -66.9 151.4 14.2 -0.3 24.2 269 61 B I E -DF 216 278B 0 -53,-1.7 -53,-2.7 -2,-0.2 2,-0.5 -0.995 18.2-157.9-128.6 131.6 15.7 -2.4 27.0 270 62 B L E -DF 215 277B 0 7,-3.4 7,-2.3 -2,-0.4 2,-0.6 -0.960 8.0-160.5-111.5 119.9 16.3 -0.8 30.4 271 63 B Q E -DF 214 276B 32 -57,-3.3 -57,-2.3 -2,-0.5 2,-0.6 -0.891 8.5-173.7-104.7 120.9 18.9 -2.6 32.5 272 64 B I E > -DF 213 275B 28 3,-2.2 3,-3.0 -2,-0.6 2,-0.8 -0.927 68.2 -55.3-112.7 109.1 18.9 -2.0 36.3 273 65 B G T 3 S- 0 0 25 -61,-2.2 -2,-0.0 -2,-0.6 -59,-0.0 -0.496 126.1 -18.9 58.5-104.2 21.9 -3.8 37.8 274 66 B D T 3 S+ 0 0 159 -2,-0.8 2,-0.4 2,-0.0 -1,-0.3 0.467 113.7 110.5-105.7 -9.4 21.2 -7.3 36.6 275 67 B L E < -F 272 0B 91 -3,-3.0 -3,-2.2 1,-0.0 2,-0.6 -0.591 54.4-153.1 -77.9 122.4 17.5 -6.8 35.8 276 68 B I E -F 271 0B 45 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.841 14.1-173.8 -92.6 120.8 16.4 -6.7 32.1 277 69 B L E -F 270 0B 32 -7,-2.3 -7,-3.4 -2,-0.6 2,-0.3 -0.975 4.6-179.6-117.4 127.4 13.3 -4.6 31.5 278 70 B A E +F 269 0B 22 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.759 41.8 60.5-118.7 167.2 11.7 -4.6 28.1 279 71 B Q > - 0 0 88 -11,-0.8 4,-2.6 -2,-0.3 3,-0.3 0.880 65.1-133.2 78.1 101.5 8.6 -2.8 26.5 280 72 B S H > S+ 0 0 13 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.846 104.7 50.9 -52.1 -44.9 8.8 0.9 26.6 281 73 B Q H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.916 112.6 45.6 -61.1 -47.6 5.2 1.3 27.9 282 74 B A H > S+ 0 0 48 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.887 113.3 51.0 -63.2 -37.6 5.8 -1.2 30.8 283 75 B I H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.951 109.7 50.0 -64.2 -47.5 9.1 0.5 31.6 284 76 B V H X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.922 113.2 45.9 -56.2 -48.1 7.5 3.9 31.7 285 77 B R H X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.890 113.5 48.7 -68.0 -39.9 4.7 2.7 34.1 286 78 B Y H X S+ 0 0 90 -4,-2.6 4,-2.2 2,-0.2 3,-0.4 0.964 112.5 47.6 -62.4 -52.0 7.1 0.9 36.3 287 79 B L H X S+ 0 0 3 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5,-0.2 -0.917 83.0-109.0-139.8 166.7 -5.0 8.0 43.6 298 90 B E H > S+ 0 0 174 -2,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.837 120.1 50.4 -63.3 -34.3 -6.2 4.9 41.9 299 91 B L H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 112.1 45.6 -70.8 -50.2 -8.5 7.0 39.7 300 92 B N H > S+ 0 0 36 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.850 108.5 56.1 -61.8 -37.1 -5.7 9.4 38.7 301 93 B E H X S+ 0 0 75 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.906 110.6 47.3 -57.2 -42.8 -3.3 6.5 38.1 302 94 B F H X S+ 0 0 109 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.918 111.3 49.9 -63.2 -47.1 -6.0 5.2 35.7 303 95 B Y H X S+ 0 0 92 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.909 109.8 49.3 -61.9 -43.8 -6.3 8.7 34.1 304 96 B A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.918 114.3 48.1 -57.9 -42.5 -2.6 9.1 33.6 305 97 B D H X S+ 0 0 55 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.962 111.2 48.8 -61.7 -54.6 -2.7 5.6 32.0 306 98 B M H X S+ 0 0 68 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.869 112.0 49.3 -51.7 -43.9 -5.6 6.4 29.8 307 99 B I H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.916 108.0 53.2 -68.7 -40.1 -4.0 9.6 28.6 308 100 B F H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.901 109.0 50.1 -58.6 -40.4 -0.7 7.8 27.9 309 101 B C H X S+ 0 0 50 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.872 108.9 52.2 -67.7 -35.7 -2.7 5.3 25.7 310 102 B G H X S+ 0 0 12 -4,-2.0 4,-1.7 1,-0.2 5,-0.3 0.932 106.7 53.1 -62.1 -45.2 -4.3 8.2 24.0 311 103 B V H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.914 104.8 55.2 -55.3 -44.2 -0.9 9.7 23.3 312 104 B Q H X S+ 0 0 51 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.888 103.5 57.2 -58.5 -39.9 0.2 6.4 21.7 313 105 B D H X S+ 0 0 86 -4,-1.5 4,-1.4 -3,-0.2 -2,-0.2 0.972 116.1 31.3 -58.1 -56.8 -2.8 6.6 19.3 314 106 B I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.826 114.3 60.3 -72.3 -30.0 -1.9 10.0 17.8 315 107 B H H X S+ 0 0 18 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.910 104.1 52.0 -66.1 -39.7 1.8 9.6 18.1 316 108 B Y H X S+ 0 0 134 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.943 111.1 46.1 -55.8 -52.5 1.6 6.5 15.9 317 109 B K H X S+ 0 0 62 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.932 110.7 53.5 -61.0 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0.809 112.5 48.6 -79.8 -31.6 -2.2 22.6 25.6 395 187 B K H X S+ 0 0 50 -4,-1.8 4,-1.9 -7,-0.3 -2,-0.2 0.908 113.1 47.0 -73.9 -44.1 0.2 25.3 24.4 396 188 B A H X S+ 0 0 21 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.935 111.4 52.3 -61.4 -43.0 0.6 26.6 27.9 397 189 B H H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.910 108.6 50.7 -61.7 -42.7 1.1 23.1 29.2 398 190 B N H X S+ 0 0 15 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.854 113.2 44.7 -62.9 -37.7 3.8 22.5 26.6 399 191 B E H X S+ 0 0 97 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.925 112.7 53.3 -72.0 -42.2 5.6 25.7 27.6 400 192 B F H >X S+ 0 0 30 -4,-3.1 3,-1.1 1,-0.2 4,-0.6 0.979 114.7 36.6 -55.7 -64.0 5.3 25.0 31.3 401 193 B I H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 6,-0.2 0.846 113.8 57.7 -66.2 -32.5 6.8 21.5 31.4 402 194 B S H 3< S+ 0 0 31 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.768 106.0 52.0 -65.5 -27.6 9.4 22.4 28.7 403 195 B N H << S+ 0 0 94 -4,-1.5 -1,-0.3 -3,-1.1 -2,-0.2 0.501 75.7 118.3 -86.8 -8.6 10.6 25.2 31.1 404 196 B L S XX S- 0 0 36 -3,-1.1 4,-3.0 -4,-0.6 3,-0.6 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