==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-NOV-09 3KTL . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.A.ACHILONU,S.GILDENHUYS,M.A.FERNANDES,S.FANUCCHI,H.W.DIRR . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.1 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 . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 48.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 4 1 4 3 0 2 0 2 0 0 0 0 0 0 2 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 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 0 168 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -92.8 -28.3 16.7 12.9 2 3 A E - 0 0 135 1,-0.0 58,-0.3 3,-0.0 3,-0.1 -0.738 360.0-110.1-114.4 152.8 -30.5 16.6 9.8 3 4 A K - 0 0 79 -2,-0.3 26,-0.2 1,-0.1 55,-0.1 -0.465 47.2 -95.3 -69.0 148.8 -32.7 13.9 8.1 4 5 A P - 0 0 9 0, 0.0 26,-3.0 0, 0.0 2,-0.5 -0.313 39.9-145.4 -58.0 148.2 -31.5 12.7 4.8 5 6 A K E -aB 30 58A 51 53,-2.1 53,-2.6 24,-0.2 2,-0.6 -0.985 5.4-151.1-124.4 121.6 -33.1 14.6 2.0 6 7 A L E -aB 31 57A 0 24,-3.1 26,-3.0 -2,-0.5 2,-0.6 -0.850 4.5-159.4 -98.1 125.6 -34.0 12.7 -1.2 7 8 A H E +aB 32 56A 2 49,-3.3 49,-1.6 -2,-0.6 2,-0.3 -0.845 42.2 106.1-107.8 110.4 -34.0 14.8 -4.5 8 9 A Y E S-a 33 0A 18 24,-1.3 26,-2.3 -2,-0.6 2,-0.1 -0.955 70.3 -80.0-164.2 171.4 -36.0 13.1 -7.3 9 10 A F E -a 34 0A 5 -2,-0.3 2,-1.7 24,-0.2 26,-0.1 -0.396 60.5 -90.0 -78.2 167.9 -39.3 13.4 -9.2 10 11 A N S S+ 0 0 62 24,-0.5 2,-0.3 -2,-0.1 3,-0.1 -0.609 97.4 79.3 -85.6 82.4 -42.4 11.9 -7.5 11 12 A A S S- 0 0 6 -2,-1.7 4,-0.2 1,-0.2 193,-0.1 -0.936 89.4 -98.4-170.3 167.7 -42.1 8.4 -8.9 12 13 A R S >> S+ 0 0 32 193,-0.5 3,-1.9 -2,-0.3 4,-1.1 0.998 72.5 126.2 -64.8 -69.0 -40.2 5.1 -8.2 13 14 A G T 34 S- 0 0 23 1,-0.2 3,-0.3 2,-0.2 4,-0.2 -0.147 89.9 -29.2 45.0-131.1 -37.5 5.6 -11.0 14 15 A R T 34 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.353 136.1 62.5 -98.7 5.3 -33.9 5.3 -9.7 15 16 A M T X> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.2 3,-1.0 0.596 79.6 82.8 -99.8 -21.1 -34.7 6.6 -6.2 16 17 A E H 3X S+ 0 0 2 -4,-1.1 4,-2.7 -3,-0.3 5,-0.1 0.829 86.1 55.4 -64.9 -31.3 -37.1 3.8 -5.1 17 18 A S H 3> S+ 0 0 26 -4,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.834 109.4 47.7 -70.0 -29.2 -34.4 1.4 -4.0 18 19 A T H <> S+ 0 0 1 -3,-1.0 4,-2.6 2,-0.2 5,-0.3 0.914 108.9 53.5 -75.8 -40.6 -32.9 4.0 -1.7 19 20 A R H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.957 111.1 47.9 -50.0 -52.7 -36.4 4.8 -0.3 20 21 A W H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.907 112.4 48.4 -52.9 -51.2 -36.7 1.0 0.4 21 22 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.886 112.0 46.5 -64.1 -47.2 -33.2 0.8 2.1 22 23 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 4,-0.3 0.899 113.8 47.8 -63.2 -41.2 -33.6 3.8 4.4 23 24 A A H ><5S+ 0 0 18 -4,-2.3 3,-1.2 -5,-0.3 -2,-0.2 0.903 110.7 53.0 -71.1 -34.7 -37.1 2.8 5.6 24 25 A A H 3<5S+ 0 0 8 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.867 107.3 51.2 -62.5 -35.2 -35.7 -0.8 6.1 25 26 A A T 3<5S- 0 0 31 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.491 119.5-114.3 -76.8 -3.6 -33.0 0.7 8.3 26 27 A G T < 5 + 0 0 52 -3,-1.2 2,-0.6 -4,-0.3 -3,-0.2 0.783 65.0 151.9 70.0 33.0 -35.6 2.6 10.2 27 28 A V < - 0 0 23 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.2 -0.838 42.0-137.8-103.0 119.6 -34.3 5.9 9.0 28 29 A E - 0 0 146 -2,-0.6 2,-0.3 -3,-0.1 -5,-0.0 -0.603 30.6-178.0 -70.0 129.1 -36.7 8.8 8.7 29 30 A F - 0 0 27 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.918 22.7-136.4-126.8 161.1 -36.1 10.9 5.5 30 31 A E E -a 5 0A 78 -26,-3.0 -24,-3.1 -2,-0.3 2,-0.4 -0.836 17.6-149.0-106.7 149.7 -37.4 14.0 3.8 31 32 A E E -a 6 0A 46 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.959 6.1-160.8-118.0 140.8 -38.1 14.1 0.0 32 33 A K E -a 7 0A 102 -26,-3.0 -24,-1.3 -2,-0.4 2,-0.6 -0.960 21.7-145.2-121.1 108.6 -37.9 17.2 -2.2 33 34 A F E -a 8 0A 68 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.683 2.2-146.1 -92.1 121.3 -39.9 16.5 -5.3 34 35 A I E +a 9 0A 4 -26,-2.3 -24,-0.5 -2,-0.6 3,-0.1 -0.619 21.5 173.7 -73.7 126.5 -38.8 17.9 -8.7 35 36 A K + 0 0 109 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.581 58.2 19.5-112.5 -10.4 -41.9 18.8 -10.7 36 37 A S S > S- 0 0 34 182,-0.1 4,-1.6 181,-0.1 3,-0.2 -0.939 78.2-103.6-154.7 162.2 -40.4 20.5 -13.8 37 38 A A H > S+ 0 0 10 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.832 123.0 60.3 -63.4 -30.5 -37.3 20.9 -15.8 38 39 A E H > S+ 0 0 135 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 102.0 50.9 -61.4 -39.3 -37.1 24.3 -14.1 39 40 A D H > S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 111.5 47.3 -64.9 -40.5 -36.9 22.6 -10.8 40 41 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.874 108.4 55.1 -69.5 -39.2 -34.1 20.4 -12.0 41 42 A D H X S+ 0 0 39 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.849 103.1 56.5 -64.1 -28.5 -32.2 23.4 -13.5 42 43 A K H X S+ 0 0 119 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.915 106.4 49.0 -70.9 -41.9 -32.3 25.1 -10.1 43 44 A L H <>S+ 0 0 11 -4,-1.4 5,-2.1 2,-0.2 6,-0.5 0.891 114.7 46.4 -53.7 -47.6 -30.6 22.1 -8.5 44 45 A R H ><5S+ 0 0 53 -4,-1.9 3,-1.9 2,-0.2 5,-0.2 0.946 114.5 44.9 -62.4 -53.7 -28.0 22.3 -11.3 45 46 A N H 3<5S+ 0 0 140 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.783 108.7 59.7 -62.9 -29.1 -27.4 26.1 -11.1 46 47 A D T 3<5S- 0 0 77 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.516 114.0-118.7 -73.0 -10.2 -27.3 25.8 -7.4 47 48 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.579 77.1 125.6 81.0 9.8 -24.3 23.4 -7.6 48 49 A Y < + 0 0 73 -5,-2.1 2,-0.6 -6,-0.2 -4,-0.2 0.666 58.1 64.7 -75.6 -16.5 -26.1 20.5 -5.9 49 50 A L > - 0 0 3 -6,-0.5 3,-1.8 -5,-0.2 -1,-0.1 -0.901 61.6-160.2-121.7 109.4 -25.6 17.9 -8.7 50 51 A M T 3 S+ 0 0 33 -2,-0.6 -1,-0.1 13,-0.3 14,-0.0 0.820 100.1 21.4 -55.3 -38.9 -22.0 16.7 -9.6 51 52 A F T 3 S- 0 0 1 2,-0.3 -1,-0.3 303,-0.1 3,-0.1 -0.009 114.0-105.7-118.2 23.1 -23.1 15.4 -13.0 52 53 A Q S < S+ 0 0 60 -3,-1.8 2,-0.3 1,-0.2 -8,-0.1 0.716 87.9 106.3 62.6 23.1 -26.2 17.6 -13.4 53 54 A Q - 0 0 61 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.885 59.2-106.8-126.7 157.9 -28.5 14.5 -12.7 54 55 A V S S+ 0 0 17 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.785 73.8 88.5-112.6 165.1 -30.7 13.0 -10.0 55 56 A P + 0 0 8 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.368 62.3 170.8 -43.8 139.6 -31.1 10.8 -7.8 56 57 A M E -BC 7 65A 0 -49,-1.6 -49,-3.3 9,-0.2 2,-0.5 -0.978 15.7-166.9-134.2 136.4 -29.3 13.1 -5.2 57 58 A V E -BC 6 64A 2 7,-2.6 7,-2.5 -2,-0.3 2,-0.7 -0.980 10.4-152.0-122.5 119.1 -29.3 12.3 -1.5 58 59 A E E +BC 5 63A 33 -53,-2.6 -53,-2.1 -2,-0.5 2,-0.3 -0.822 35.1 153.2 -86.8 116.9 -28.2 14.8 1.1 59 60 A I E > - C 0 62A 5 3,-2.2 3,-2.7 -2,-0.7 -56,-0.1 -0.991 59.1 -9.8-149.7 135.5 -26.8 12.9 4.0 60 61 A D T 3 S- 0 0 58 -2,-0.3 3,-0.1 -58,-0.3 -1,-0.1 0.874 129.6 -50.1 47.6 41.9 -24.3 13.6 6.7 61 62 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 -59,-0.1 -1,-0.3 0.566 115.2 111.7 74.4 7.7 -23.2 16.9 4.9 62 63 A M E < -C 59 0A 21 -3,-2.7 -3,-2.2 2,-0.0 2,-0.7 -0.861 60.1-144.8-111.6 151.0 -22.7 15.3 1.5 63 64 A K E -C 58 0A 83 -2,-0.3 2,-0.8 -5,-0.2 -13,-0.3 -0.846 28.7-166.9-110.5 86.3 -24.7 15.7 -1.7 64 65 A L E -C 57 0A 2 -7,-2.5 -7,-2.6 -2,-0.7 2,-0.2 -0.740 10.3-179.4 -87.8 104.5 -24.4 12.2 -3.1 65 66 A V E +C 56 0A 2 -2,-0.8 -9,-0.2 -9,-0.3 4,-0.1 -0.532 49.8 66.3 -84.3 169.6 -25.4 11.8 -6.8 66 67 A Q S >> S- 0 0 20 -11,-0.7 4,-1.5 -2,-0.2 3,-1.2 0.772 80.5-119.4 73.4 109.8 -25.2 8.3 -8.4 67 68 A T H 3> S+ 0 0 27 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.878 110.7 49.9 -39.8 -55.1 -27.6 5.7 -7.0 68 69 A R H 3> S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.800 102.3 60.9 -65.9 -26.2 -24.9 3.4 -5.9 69 70 A A H <> S+ 0 0 0 -3,-1.2 4,-1.6 243,-0.2 -1,-0.2 0.947 111.8 36.8 -69.5 -44.6 -22.9 6.0 -4.0 70 71 A A H X S+ 0 0 2 -4,-1.5 4,-3.0 -3,-0.3 5,-0.2 0.909 116.4 54.0 -75.8 -34.6 -25.6 6.9 -1.5 71 72 A L H X S+ 0 0 9 -4,-2.1 4,-3.3 -5,-0.3 -2,-0.2 0.916 110.3 46.8 -62.0 -41.2 -26.9 3.2 -1.3 72 73 A N H X S+ 0 0 11 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.849 113.4 48.4 -70.2 -38.2 -23.4 2.0 -0.4 73 74 A Y H X S+ 0 0 9 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.953 114.9 44.9 -65.5 -53.4 -23.0 4.8 2.2 74 75 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 6,-0.2 0.952 112.6 51.2 -53.8 -48.4 -26.4 4.0 3.7 75 76 A A H <>S+ 0 0 0 -4,-3.3 5,-3.2 1,-0.2 6,-0.6 0.915 115.1 42.8 -56.8 -46.8 -25.8 0.2 3.7 76 77 A S H ><5S+ 0 0 26 -4,-2.3 3,-1.6 4,-0.2 -1,-0.2 0.931 112.5 53.3 -65.7 -42.3 -22.4 0.6 5.5 77 78 A K H 3<5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 115.5 38.4 -63.2 -39.6 -23.7 3.3 7.9 78 79 A Y T 3<5S- 0 0 75 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.077 115.6-108.1-105.1 24.4 -26.6 1.1 9.1 79 80 A N T < 5S+ 0 0 113 -3,-1.6 3,-0.2 1,-0.1 -3,-0.2 0.831 83.5 122.3 55.7 41.1 -24.7 -2.2 9.1 80 81 A L < + 0 0 10 -5,-3.2 74,-2.9 -6,-0.2 75,-0.3 0.091 52.9 79.7-115.5 19.3 -26.5 -3.7 6.1 81 82 A Y S S- 0 0 11 -6,-0.6 -1,-0.1 1,-0.4 3,-0.1 0.061 104.7 -93.5-116.3 30.7 -23.3 -4.3 4.1 82 83 A G - 0 0 27 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.188 38.7 -89.3 83.2 178.4 -22.1 -7.6 5.6 83 84 A K S S+ 0 0 175 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.518 100.4 8.3-102.7 -11.7 -19.6 -7.9 8.5 84 85 A D S > S- 0 0 71 -3,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.921 88.2 -83.7-157.6-179.5 -16.4 -8.0 6.4 85 86 A I H > S+ 0 0 56 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.791 122.1 53.4 -69.7 -32.0 -15.0 -7.5 2.9 86 87 A K H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 110.6 47.9 -72.9 -32.3 -15.8 -11.1 1.8 87 88 A E H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.943 109.0 53.0 -70.4 -41.5 -19.4 -10.7 2.8 88 89 A R H X S+ 0 0 19 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.868 106.3 55.2 -60.0 -32.7 -19.6 -7.4 1.0 89 90 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.908 109.2 44.2 -69.1 -40.3 -18.4 -9.2 -2.1 90 91 A L H X S+ 0 0 61 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.938 115.8 51.3 -64.2 -42.4 -21.2 -11.8 -2.0 91 92 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.949 111.0 45.3 -57.2 -51.9 -23.6 -9.0 -1.3 92 93 A D H X S+ 0 0 1 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.875 111.4 53.1 -62.3 -39.4 -22.3 -6.9 -4.2 93 94 A M H X S+ 0 0 11 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.940 114.1 43.6 -61.2 -45.4 -22.4 -9.9 -6.6 94 95 A Y H X S+ 0 0 20 -4,-2.7 4,-1.9 1,-0.2 3,-0.4 0.926 113.9 47.6 -66.6 -46.7 -26.0 -10.5 -5.6 95 96 A I H X S+ 0 0 9 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.786 106.5 58.1 -75.1 -23.5 -27.2 -7.0 -5.7 96 97 A E H X S+ 0 0 10 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.820 105.8 49.6 -71.9 -30.1 -25.6 -6.3 -9.1 97 98 A G H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.925 111.7 49.5 -66.0 -43.1 -27.6 -9.1 -10.6 98 99 A I H X S+ 0 0 10 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.842 110.0 51.8 -58.7 -37.3 -30.7 -7.6 -9.0 99 100 A A H X S+ 0 0 32 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.879 106.3 52.4 -73.8 -37.7 -29.7 -4.3 -10.5 100 101 A D H X S+ 0 0 49 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.901 115.5 41.6 -61.9 -45.4 -29.3 -5.7 -14.0 101 102 A L H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.904 112.6 53.6 -65.7 -41.5 -32.9 -7.2 -13.8 102 103 A G H X S+ 0 0 25 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.851 107.6 52.8 -58.0 -36.2 -34.3 -4.1 -12.1 103 104 A E H X S+ 0 0 73 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.877 106.3 51.5 -68.9 -45.6 -32.8 -2.0 -15.0 104 105 A M H X S+ 0 0 59 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.902 115.6 41.9 -55.5 -45.6 -34.5 -4.2 -17.7 105 106 A I H >< S+ 0 0 26 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.915 112.4 54.9 -74.6 -42.3 -37.9 -3.7 -15.8 106 107 A L H 3< S+ 0 0 50 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.898 112.5 41.1 -51.2 -48.8 -37.4 -0.0 -15.1 107 108 A L H >< S+ 0 0 80 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.507 85.3 99.8 -90.5 -6.4 -36.7 0.9 -18.8 108 109 A L G X< S+ 0 0 22 -4,-0.6 3,-1.8 -3,-0.6 -1,-0.2 0.881 78.0 55.8 -39.0 -54.5 -39.5 -1.3 -20.2 109 110 A P G 3 S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.814 103.5 55.0 -53.7 -34.0 -41.9 1.7 -20.6 110 111 A V G < S+ 0 0 58 -3,-0.9 -2,-0.2 -4,-0.2 -3,-0.1 0.326 83.1 115.6 -87.7 10.9 -39.5 3.6 -22.7 111 112 A C S < S- 0 0 14 -3,-1.8 5,-0.1 -4,-0.2 -3,-0.0 -0.477 79.8 -99.4 -77.4 143.4 -39.1 0.8 -25.3 112 113 A P >> - 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