==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-11 3U6V . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.FANUCCHI,I.A.ACHILONU,T.N.KHOZA,M.A.FERNANDES,S.GILDENHUYS . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 71.3 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 . 3 0.7 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 0 0 0 2 0 2 2 4 2 0 2 0 2 0 0 0 0 0 1 1 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 . 1 0 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 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 2 A A 0 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.8 -28.5 37.2 13.1 2 3 A E - 0 0 173 1,-0.0 58,-0.3 3,-0.0 3,-0.1 -0.725 360.0-109.3 -89.9 144.4 -30.5 38.0 10.0 3 4 A K - 0 0 110 -2,-0.3 26,-0.2 1,-0.1 55,-0.1 -0.527 42.3 -98.4 -65.2 136.8 -32.7 35.4 8.3 4 5 A P - 0 0 16 0, 0.0 26,-2.9 0, 0.0 2,-0.5 -0.186 38.5-141.5 -51.9 146.2 -31.4 34.0 5.0 5 6 A K E -aB 30 58A 66 53,-2.0 53,-2.5 24,-0.2 2,-0.6 -0.967 7.8-154.3-119.1 125.8 -33.1 35.8 2.1 6 7 A L E -aB 31 57A 4 24,-3.3 26,-3.4 -2,-0.5 2,-0.7 -0.877 5.7-163.9-102.4 119.3 -34.0 33.9 -1.0 7 8 A H E +aB 32 56A 3 49,-2.7 49,-1.4 -2,-0.6 2,-0.3 -0.864 38.7 108.5-102.3 114.7 -34.3 35.9 -4.2 8 9 A Y E -a 33 0A 22 24,-1.1 26,-1.9 -2,-0.7 2,-0.1 -0.951 69.8 -69.6-160.9 177.7 -36.1 34.1 -7.1 9 10 A F E -a 34 0A 83 -2,-0.3 2,-2.4 24,-0.3 26,-0.1 -0.367 56.5 -98.9 -65.5 155.3 -39.4 34.1 -9.0 10 11 A N S S+ 0 0 70 24,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.464 98.8 80.0 -73.8 66.8 -42.5 33.1 -7.2 11 12 A A S S- 0 0 18 -2,-2.4 4,-0.2 1,-0.3 193,-0.1 -0.927 90.7-100.0-158.7 173.9 -42.2 29.7 -8.8 12 13 A R S >> S+ 0 0 30 193,-0.4 3,-1.7 -2,-0.3 4,-1.0 0.973 71.6 121.9 -64.1 -81.7 -40.4 26.4 -8.4 13 14 A G T 34 S- 0 0 19 1,-0.2 3,-0.4 2,-0.2 4,-0.3 -0.191 92.0 -27.6 50.5-137.3 -37.7 26.7 -11.1 14 15 A R T 34 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.354 133.8 64.3 -95.6 7.0 -34.2 26.4 -9.8 15 16 A M T X> S+ 0 0 0 -3,-1.7 4,-1.5 -4,-0.2 3,-0.9 0.674 78.8 83.0-102.8 -18.6 -34.9 27.6 -6.2 16 17 A E H 3X S+ 0 0 2 -4,-1.0 4,-2.6 -3,-0.4 5,-0.2 0.823 85.1 53.9 -54.9 -41.0 -37.3 24.8 -5.1 17 18 A S H 3> S+ 0 0 26 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.825 110.4 51.0 -70.4 -26.2 -34.7 22.2 -4.1 18 19 A T H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 5,-0.3 0.797 108.5 51.1 -69.9 -36.9 -33.2 25.0 -1.8 19 20 A R H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.941 112.5 46.4 -66.0 -42.5 -36.6 25.7 -0.3 20 21 A W H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.917 115.2 46.0 -65.0 -45.5 -37.0 22.0 0.4 21 22 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.959 113.0 46.6 -69.4 -48.5 -33.5 21.6 1.9 22 23 A A H X>S+ 0 0 4 -4,-2.7 5,-2.1 1,-0.2 4,-0.6 0.957 115.5 47.9 -61.0 -44.6 -33.6 24.7 4.1 23 24 A A H ><5S+ 0 0 16 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.925 109.4 52.5 -56.0 -48.5 -37.2 23.7 5.4 24 25 A A H 3<5S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.862 108.1 52.4 -55.8 -33.0 -36.0 20.2 6.0 25 26 A A H 3<5S- 0 0 29 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.577 114.9-119.5 -83.0 -6.6 -33.1 21.7 8.1 26 27 A G T <<5 + 0 0 45 -3,-1.5 2,-0.5 -4,-0.6 -3,-0.2 0.758 60.5 154.1 76.7 25.6 -35.7 23.7 10.1 27 28 A V < - 0 0 10 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.3 -0.738 40.1-137.8 -89.6 125.2 -34.1 26.9 9.0 28 29 A E + 0 0 130 -2,-0.5 2,-0.3 -3,-0.1 -5,-0.0 -0.725 33.5 166.4 -86.7 136.9 -36.3 29.9 8.9 29 30 A F - 0 0 30 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.955 29.6-127.3-145.4 158.5 -35.8 32.1 5.8 30 31 A E E -a 5 0A 90 -26,-2.9 -24,-3.3 -2,-0.3 2,-0.4 -0.862 19.0-140.6-110.4 151.2 -37.4 35.0 3.9 31 32 A E E -a 6 0A 47 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.860 9.3-167.3-111.1 140.8 -38.3 35.2 0.2 32 33 A K E -a 7 0A 76 -26,-3.4 -24,-1.1 -2,-0.4 2,-0.2 -0.876 21.3-148.9-125.2 99.7 -38.0 38.1 -2.1 33 34 A F E -a 8 0A 65 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.3 -0.480 8.1-138.7 -75.8 133.7 -39.9 37.4 -5.3 34 35 A I E +a 9 0A 9 -26,-1.9 -24,-0.7 -2,-0.2 3,-0.1 -0.769 31.8 164.5 -80.1 123.5 -38.8 38.7 -8.6 35 36 A K + 0 0 147 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.374 57.4 30.9-127.8 4.7 -42.1 39.8 -10.3 36 37 A S S > S- 0 0 55 1,-0.1 4,-1.5 0, 0.0 -1,-0.2 -0.974 77.4-112.9-155.6 159.3 -40.9 42.0 -13.1 37 38 A A H > S+ 0 0 77 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.932 119.5 56.9 -57.7 -45.4 -37.9 42.3 -15.5 38 39 A E H > S+ 0 0 135 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 101.2 57.1 -56.9 -35.9 -37.1 45.6 -13.7 39 40 A D H > S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 108.0 46.8 -57.8 -45.5 -36.9 43.7 -10.4 40 41 A L H X S+ 0 0 29 -4,-1.5 4,-1.7 -3,-0.4 -2,-0.2 0.887 110.8 52.5 -65.0 -38.6 -34.3 41.5 -11.9 41 42 A D H X S+ 0 0 72 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.859 101.7 59.7 -64.7 -39.8 -32.5 44.5 -13.2 42 43 A K H X S+ 0 0 71 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.941 106.1 50.2 -46.6 -50.7 -32.5 46.1 -9.7 43 44 A L H X>S+ 0 0 3 -4,-1.6 5,-2.2 2,-0.2 4,-0.5 0.904 112.5 43.6 -60.4 -49.3 -30.5 43.0 -8.6 44 45 A R H ><5S+ 0 0 74 -4,-1.7 3,-1.4 1,-0.2 5,-0.2 0.945 114.9 49.6 -60.0 -52.5 -27.9 43.2 -11.4 45 46 A N H 3<5S+ 0 0 134 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.858 106.8 54.2 -57.1 -38.8 -27.5 47.0 -11.0 46 47 A D H 3<5S- 0 0 90 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.615 115.6-116.6 -75.1 -10.1 -27.1 46.8 -7.3 47 48 A G T <<5S+ 0 0 44 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.650 75.2 129.7 89.7 21.3 -24.2 44.3 -7.8 48 49 A Y < + 0 0 75 -5,-2.2 2,-0.6 -6,-0.2 -4,-0.2 0.547 55.5 64.5 -88.3 -11.8 -26.0 41.4 -6.0 49 50 A L > - 0 0 3 -6,-0.4 3,-1.4 -5,-0.2 -1,-0.1 -0.953 62.8-160.0-119.6 112.8 -25.6 38.7 -8.7 50 51 A M T 3 S+ 0 0 37 -2,-0.6 -1,-0.1 1,-0.3 14,-0.0 0.905 97.7 25.3 -56.9 -48.3 -22.1 37.5 -9.5 51 52 A F T 3 S- 0 0 2 2,-0.3 -1,-0.3 289,-0.1 286,-0.1 -0.190 117.6-102.5-109.4 34.4 -23.0 36.0 -12.9 52 53 A Q S < S+ 0 0 58 -3,-1.4 2,-0.3 1,-0.1 -8,-0.1 0.556 88.8 104.8 59.5 15.7 -26.1 38.3 -13.5 53 54 A Q - 0 0 65 2,-0.1 -2,-0.3 -10,-0.1 -3,-0.1 -0.865 59.7-109.3-128.5 152.0 -28.5 35.4 -12.6 54 55 A V S S+ 0 0 19 -2,-0.3 2,-0.1 -5,-0.1 -46,-0.1 -0.690 73.2 88.3-103.4 166.9 -30.8 34.2 -9.8 55 56 A P + 0 0 7 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.469 61.0 165.0 -51.3 137.2 -31.2 32.1 -7.5 56 57 A M E -BC 7 65A 0 -49,-1.4 -49,-2.7 9,-0.2 2,-0.5 -0.992 18.0-165.1-129.0 135.4 -29.3 34.2 -5.1 57 58 A V E -BC 6 64A 0 7,-2.7 7,-2.3 -2,-0.4 2,-0.6 -0.966 12.3-147.0-119.0 128.3 -29.4 33.5 -1.4 58 59 A E E +BC 5 63A 32 -53,-2.5 -53,-2.0 -2,-0.5 2,-0.3 -0.815 38.9 149.5 -84.5 125.1 -28.2 36.0 1.2 59 60 A I E > - C 0 62A 9 3,-1.6 3,-2.4 -2,-0.6 -56,-0.1 -0.959 59.3 -8.5-159.1 131.8 -26.8 34.0 4.1 60 61 A D T 3 S- 0 0 52 -2,-0.3 3,-0.1 -58,-0.3 -57,-0.0 0.788 129.2 -47.0 49.3 46.3 -24.1 34.6 6.7 61 62 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.402 117.3 112.1 79.1 1.4 -22.7 37.8 5.1 62 63 A M E < -C 59 0A 21 -3,-2.4 -3,-1.6 2,-0.0 2,-0.6 -0.687 60.3-150.4-109.3 153.5 -22.7 36.2 1.6 63 64 A K E -C 58 0A 82 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.853 31.9-169.7-118.2 88.6 -24.6 36.7 -1.6 64 65 A L E +C 57 0A 0 -7,-2.3 -7,-2.7 -2,-0.6 2,-0.3 -0.761 9.0 179.9 -83.5 116.7 -24.3 33.1 -2.9 65 66 A V E +C 56 0A 4 -2,-0.6 -9,-0.2 -9,-0.2 238,-0.1 -0.793 45.4 67.5-108.5 165.1 -25.4 32.4 -6.5 66 67 A Q S > S- 0 0 22 -11,-0.7 4,-2.3 -2,-0.3 3,-0.3 0.567 75.4-121.9 91.1 116.7 -25.4 28.9 -8.2 67 68 A T H > S+ 0 0 28 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.906 111.7 51.5 -50.1 -48.3 -27.8 26.3 -6.9 68 69 A R H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 110.6 48.3 -63.9 -35.9 -25.0 23.8 -6.1 69 70 A A H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.915 113.7 46.1 -66.0 -49.0 -23.1 26.4 -4.1 70 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.935 117.0 43.9 -58.9 -51.8 -26.1 27.5 -2.1 71 72 A L H X S+ 0 0 10 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.840 110.7 54.7 -62.5 -42.2 -27.2 23.9 -1.4 72 73 A N H X S+ 0 0 12 -4,-2.1 4,-1.8 -5,-0.3 5,-0.2 0.921 110.7 46.4 -60.1 -42.6 -23.6 22.8 -0.5 73 74 A Y H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.945 114.9 45.4 -65.9 -46.0 -23.3 25.5 2.0 74 75 A I H X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.938 112.5 50.7 -63.6 -43.6 -26.8 24.8 3.6 75 76 A A H <>S+ 0 0 0 -4,-3.0 5,-3.7 1,-0.2 6,-0.4 0.870 115.7 43.8 -61.8 -34.8 -26.2 21.1 3.7 76 77 A S H ><5S+ 0 0 22 -4,-1.8 3,-2.2 -5,-0.2 -2,-0.2 0.966 111.0 51.1 -75.7 -53.6 -22.8 21.6 5.4 77 78 A K H 3<5S+ 0 0 75 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.859 116.8 41.9 -49.7 -42.0 -23.9 24.3 7.9 78 79 A Y T 3<5S- 0 0 76 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.066 115.6-110.6-103.1 23.6 -26.8 22.1 9.1 79 80 A N T < 5S+ 0 0 116 -3,-2.2 -3,-0.2 1,-0.1 3,-0.2 0.839 79.6 124.7 54.4 46.6 -25.0 18.8 9.1 80 81 A L < + 0 0 13 -5,-3.7 74,-2.8 -6,-0.2 75,-0.2 -0.019 53.2 78.8-119.5 32.2 -26.8 17.2 6.2 81 82 A Y S S- 0 0 12 1,-0.5 -1,-0.1 -6,-0.4 3,-0.1 -0.074 102.8 -84.6-133.7 31.2 -23.7 16.4 4.1 82 83 A G - 0 0 27 70,-0.2 -1,-0.5 -3,-0.2 3,-0.1 -0.121 34.5 -98.1 92.1 167.9 -22.2 13.3 5.7 83 84 A K S S+ 0 0 166 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.506 99.2 10.5-102.5 -13.3 -19.8 12.8 8.6 84 85 A D S > S- 0 0 76 -3,-0.1 4,-2.1 1,-0.0 5,-0.1 -0.883 87.5 -84.8-153.7-174.6 -16.7 12.6 6.4 85 86 A I H > S+ 0 0 54 -2,-0.2 4,-1.5 1,-0.2 197,-0.1 0.817 121.8 50.0 -73.8 -32.3 -15.2 13.0 2.9 86 87 A K H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.819 109.9 50.7 -77.9 -34.6 -16.2 9.5 1.7 87 88 A E H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.894 107.4 53.6 -67.0 -41.4 -19.7 10.0 2.8 88 89 A R H X S+ 0 0 22 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.893 106.8 54.2 -61.3 -34.5 -19.8 13.3 1.0 89 90 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.914 110.0 44.6 -63.1 -46.0 -18.6 11.4 -2.2 90 91 A L H X S+ 0 0 54 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.947 116.1 48.4 -59.5 -47.7 -21.5 8.9 -2.0 91 92 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.907 113.5 46.3 -58.8 -45.9 -23.9 11.8 -1.3 92 93 A D H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.910 111.7 52.0 -68.0 -43.0 -22.5 13.8 -4.2 93 94 A M H X S+ 0 0 12 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.931 115.0 42.5 -51.5 -47.7 -22.7 10.8 -6.4 94 95 A Y H X S+ 0 0 19 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.945 116.3 44.7 -68.6 -50.2 -26.3 10.3 -5.5 95 96 A I H X S+ 0 0 8 -4,-3.1 4,-2.8 1,-0.3 -1,-0.2 0.798 108.7 57.0 -76.5 -22.8 -27.5 13.8 -5.6 96 97 A E H X S+ 0 0 13 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.3 0.860 107.0 50.0 -71.2 -33.4 -25.7 14.5 -8.9 97 98 A G H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.951 110.8 49.2 -62.5 -49.4 -27.7 11.6 -10.4 98 99 A I H X S+ 0 0 11 -4,-2.2 4,-3.8 1,-0.2 -2,-0.2 0.909 108.4 53.8 -53.9 -49.1 -30.9 13.2 -9.0 99 100 A A H X S+ 0 0 31 -4,-2.8 4,-3.5 2,-0.2 -1,-0.2 0.913 106.4 53.1 -53.5 -44.1 -29.9 16.6 -10.5 100 101 A D H X S+ 0 0 45 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.951 115.5 38.3 -57.6 -52.2 -29.4 15.0 -13.9 101 102 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.906 115.8 54.9 -61.4 -45.5 -32.9 13.5 -13.9 102 103 A G H X S+ 0 0 22 -4,-3.8 4,-3.1 1,-0.2 -2,-0.2 0.935 105.1 53.6 -48.7 -54.2 -34.2 16.6 -12.2 103 104 A E H X S+ 0 0 71 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.862 105.9 51.8 -50.2 -49.0 -32.8 18.7 -15.0 104 105 A M H X S+ 0 0 49 -4,-1.6 4,-1.3 1,-0.2 3,-0.3 0.959 114.4 42.2 -56.0 -52.7 -34.6 16.7 -17.7 105 106 A I H < S+ 0 0 22 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.879 109.5 58.8 -65.6 -40.1 -38.0 17.1 -15.9 106 107 A L H < S+ 0 0 63 -4,-3.1 -1,-0.2 1,-0.2 4,-0.2 0.885 115.8 33.4 -53.6 -43.6 -37.4 20.8 -15.1 107 108 A L H >< S+ 0 0 66 -4,-1.8 3,-0.8 -3,-0.3 -1,-0.2 0.518 88.0 98.7 -99.4 -9.5 -37.0 21.8 -18.8 108 109 A L G >< S+ 0 0 9 -4,-1.3 3,-0.7 -3,-0.3 -1,-0.2 0.819 84.7 51.5 -44.4 -42.5 -39.4 19.3 -20.3 109 110 A P G 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.860 101.5 60.2 -64.0 -36.8 -42.1 22.1 -20.5 110 111 A V G < S+ 0 0 121 -3,-0.8 -2,-0.2 -4,-0.2 -3,-0.1 0.150 90.7 87.3 -86.6 22.8 -39.9 24.7 -22.3 111 112 A C S < S- 0 0 25 -3,-0.7 5,-0.1 -4,-0.1 -3,-0.0 -0.654 86.6 -78.5-109.8 166.6 -39.2 22.6 -25.4 112 113 A P - 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0 0 80 -7,-0.4 -3,-0.1 -5,-0.2 -2,-0.1 -0.216 59.6-135.6 -43.6 130.6 -3.6 16.2 -21.1 410 205 B K - 0 0 14 1,-0.1 3,-0.1 -193,-0.0 -1,-0.1 -0.691 8.9-119.0-103.8 153.0 -6.1 15.4 -24.0 411 206 B P - 0 0 84 0, 0.0 -193,-0.5 0, 0.0 2,-0.1 -0.207 38.3 -87.8 -77.5 170.9 -6.3 17.1 -27.4 412 207 B P - 0 0 72 0, 0.0 2,-0.1 0, 0.0 -41,-0.0 -0.517 49.6-111.9 -70.1 154.9 -9.4 18.9 -28.8 413 208 B M + 0 0 142 -2,-0.1 -196,-0.0 1,-0.1 -3,-0.0 -0.427 32.4 179.4 -79.3 162.3 -11.7 16.6 -30.6 414 209 B D 0 0 139 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.519 360.0 360.0-138.5 -14.2 -12.2 16.9 -34.4 415 210 B E 0 0 178 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.771 360.0 360.0-168.1 360.0 -14.8 14.2 -35.5