==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUL-93 4GST . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR X.JI,R.N.ARMSTRONG,G.L.GILLILAND . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 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 . 4 0.9 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 0 2 1 2 0 4 0 0 0 0 2 0 0 0 0 0 0 2 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 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 1 A P 0 0 98 0, 0.0 64,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-160.6 -3.8 24.2 37.6 2 2 A M E -a 27 0A 8 24,-2.0 26,-2.4 62,-0.1 2,-0.5 -0.504 360.0-143.7 -70.4 149.8 -1.3 22.7 35.2 3 3 A I E -aB 28 63A 44 60,-2.1 60,-2.7 24,-0.2 2,-0.5 -0.996 12.1-166.3-123.1 126.4 2.1 22.2 36.8 4 4 A L E -aB 29 62A 0 24,-2.6 26,-2.4 -2,-0.5 2,-0.4 -0.921 8.6-166.4-111.4 123.6 5.4 22.7 34.8 5 5 A G E +aB 30 61A 0 56,-2.7 56,-1.6 -2,-0.5 2,-0.3 -0.923 25.1 121.1-111.2 143.0 8.6 21.3 36.3 6 6 A Y E -a 31 0A 21 24,-1.9 26,-2.4 -2,-0.4 5,-0.0 -0.930 60.7 -63.7-177.8 169.7 12.2 22.1 35.2 7 7 A W E -a 32 0A 31 24,-0.3 2,-1.1 -2,-0.3 26,-0.2 -0.137 55.9-103.2 -59.3 159.0 15.6 23.5 36.3 8 8 A N S S+ 0 0 66 24,-1.3 2,-0.3 23,-0.2 -1,-0.1 -0.476 96.7 89.1 -88.6 51.5 15.7 27.2 37.4 9 9 A V S S- 0 0 11 -2,-1.1 4,-0.2 1,-0.1 198,-0.2 -0.960 86.1-116.8-141.7 164.7 17.3 27.8 34.0 10 10 A R >> + 0 0 0 196,-2.4 3,-1.6 -2,-0.3 4,-0.6 0.951 64.0 134.7 -66.7 -57.3 16.3 28.6 30.5 11 11 A G T 34 S- 0 0 8 196,-2.6 3,-0.2 1,-0.2 -1,-0.1 -0.062 85.5 -32.8 44.4-123.6 17.7 25.4 29.0 12 12 A L T 34 S+ 0 0 37 1,-0.1 -1,-0.2 -3,-0.1 4,-0.1 0.276 123.2 81.3-108.6 10.7 15.1 23.9 26.6 13 13 A T T X> + 0 0 0 -3,-1.6 4,-2.1 -4,-0.2 3,-0.7 0.427 58.7 95.6 -98.3 -2.6 11.9 24.9 28.3 14 14 A H H 3X S+ 0 0 0 -4,-0.6 4,-2.6 1,-0.3 5,-0.2 0.927 81.8 56.0 -53.7 -49.9 11.6 28.5 27.1 15 15 A P H 3> S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.765 109.0 48.0 -50.8 -41.3 9.2 27.5 24.3 16 16 A I H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.884 110.1 49.5 -66.7 -50.9 6.9 25.9 26.8 17 17 A R H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -3,-0.1 0.896 113.3 48.8 -51.5 -43.2 6.9 28.8 29.2 18 18 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.872 112.3 47.0 -65.9 -39.8 6.1 31.1 26.2 19 19 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.822 107.8 55.6 -73.1 -37.8 3.3 28.9 24.9 20 20 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 -2,-0.2 0.932 114.0 42.6 -55.8 -46.5 1.7 28.6 28.4 21 21 A E H ><5S+ 0 0 27 -4,-1.8 3,-1.8 3,-0.2 -2,-0.2 0.946 111.1 53.8 -63.1 -49.5 1.7 32.4 28.4 22 22 A Y H 3<5S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 111.2 46.0 -58.3 -38.0 0.4 32.9 24.8 23 23 A T T 3<5S- 0 0 19 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.323 108.8-121.3 -89.3 0.4 -2.5 30.6 25.4 24 24 A D T < 5 + 0 0 109 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.889 49.6 175.5 59.9 44.7 -3.6 32.2 28.7 25 25 A S < - 0 0 21 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.2 -0.644 35.4-123.5 -82.1 147.9 -3.2 28.8 30.4 26 26 A S + 0 0 90 -2,-0.3 -24,-2.0 -23,-0.0 2,-0.3 -0.823 54.7 146.3 -88.2 119.0 -3.6 28.5 34.2 27 27 A Y E -a 2 0A 39 -2,-0.7 2,-0.3 -26,-0.2 -24,-0.2 -0.987 36.4-154.3-153.2 160.6 -0.3 27.0 35.4 28 28 A E E -a 3 0A 102 -26,-2.4 -24,-2.6 -2,-0.3 2,-0.3 -0.891 18.7-138.9-129.7 159.2 2.2 26.9 38.2 29 29 A E E -a 4 0A 52 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.943 12.4-157.6-129.4 148.4 5.9 26.1 38.1 30 30 A K E -a 5 0A 79 -26,-2.4 -24,-1.9 -2,-0.3 2,-0.7 -0.986 14.6-166.0-121.3 113.1 8.5 24.2 40.1 31 31 A R E -a 6 0A 79 -2,-0.5 -24,-0.3 -26,-0.2 2,-0.2 -0.938 14.1-151.8-104.8 95.7 11.9 25.5 39.4 32 32 A Y E -a 7 0A 0 -26,-2.4 -24,-1.3 -2,-0.7 2,-0.3 -0.617 7.1-136.7 -73.3 137.6 14.4 23.0 40.8 33 33 A A - 0 0 41 -2,-0.2 11,-0.4 -26,-0.2 2,-0.4 -0.734 7.8-153.7-100.9 145.8 17.9 24.0 41.9 34 34 A M - 0 0 22 -2,-0.3 8,-0.2 10,-0.1 7,-0.1 -0.865 22.4-121.0-110.3 143.5 21.2 22.3 41.4 35 35 A G - 0 0 23 6,-1.7 175,-0.1 -2,-0.4 2,-0.1 -0.395 34.7-103.0 -76.8 162.2 24.2 22.8 43.8 36 36 A D >> - 0 0 110 1,-0.2 4,-2.3 4,-0.1 3,-0.8 -0.238 59.9 -25.0 -79.4 177.9 27.5 24.2 42.5 37 37 A A T 34 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 -0.078 109.0 28.6 -57.7 153.6 30.7 22.4 41.6 38 38 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 -0.996 135.5 16.1 -97.5 0.0 32.1 20.0 42.3 39 39 A D T <4 S- 0 0 119 -3,-0.8 -2,-0.2 2,-0.0 3,-0.1 0.694 76.3-155.2-102.3 -23.9 29.1 17.8 43.1 40 40 A Y < - 0 0 59 -4,-2.3 -4,-0.1 1,-0.1 -3,-0.1 0.949 24.7-131.7 43.5 66.6 26.3 19.8 41.6 41 41 A D + 0 0 74 -5,-0.4 -6,-1.7 1,-0.1 3,-0.1 -0.238 31.3 179.6 -48.0 125.7 23.6 18.4 43.9 42 42 A R >> + 0 0 108 -8,-0.2 4,-2.3 -3,-0.1 3,-1.2 0.185 45.8 113.7-114.6 17.4 20.5 17.2 42.1 43 43 A S H 3> + 0 0 40 1,-0.3 4,-4.0 2,-0.2 5,-0.2 0.798 62.6 69.1 -59.3 -36.2 18.5 16.0 45.2 44 44 A Q H 34 S+ 0 0 75 -11,-0.4 -1,-0.3 1,-0.2 -10,-0.1 0.857 117.7 27.4 -50.0 -37.4 15.7 18.6 45.0 45 45 A W H X> S+ 0 0 5 -3,-1.2 3,-1.9 -12,-0.2 4,-1.2 0.870 118.1 56.9 -89.8 -46.0 14.7 16.8 41.9 46 46 A L H 3< S+ 0 0 76 -4,-2.3 4,-0.5 1,-0.3 3,-0.3 0.829 96.8 67.6 -58.5 -29.9 16.0 13.3 42.7 47 47 A N T 3< S+ 0 0 102 -4,-4.0 -1,-0.3 1,-0.2 -2,-0.1 0.646 119.2 17.6 -62.4 -27.1 13.9 13.3 45.8 48 48 A E T X> S+ 0 0 41 -3,-1.9 3,-2.1 -5,-0.2 4,-0.6 0.364 89.5 108.7-127.8 7.1 10.7 13.2 43.8 49 49 A K T 3< S+ 0 0 44 -4,-1.2 3,-0.4 -3,-0.3 5,-0.3 0.884 91.5 37.4 -50.0 -43.8 11.7 12.0 40.3 50 50 A F T 34 S+ 0 0 149 -4,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.374 107.3 69.2 -95.4 7.3 10.1 8.7 40.9 51 51 A K T <4 S+ 0 0 168 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.410 77.1 75.3-108.1 4.2 7.1 10.0 42.8 52 52 A L S < S- 0 0 39 -4,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.374 98.0-113.1 -96.9 3.9 5.0 11.9 40.2 53 53 A G + 0 0 50 1,-0.2 2,-0.3 -3,-0.2 15,-0.1 0.769 61.7 155.3 71.9 25.1 3.3 9.1 38.2 54 54 A L - 0 0 17 -5,-0.3 -1,-0.2 1,-0.1 15,-0.1 -0.688 44.3-139.6 -83.4 142.4 5.3 10.0 35.1 55 55 A D S S+ 0 0 75 -2,-0.3 303,-0.1 1,-0.3 -1,-0.1 0.876 96.8 13.2 -65.0 -47.8 5.8 7.2 32.5 56 56 A F S S- 0 0 5 2,-0.1 -1,-0.3 302,-0.0 2,-0.1 -0.843 95.4-134.2-130.5 92.9 9.5 8.1 31.7 57 57 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.281 47.0 123.4 -61.7 136.5 10.6 10.6 34.3 58 58 A N - 0 0 57 -2,-0.1 -2,-0.1 -9,-0.1 -4,-0.0 -0.969 52.9 -66.8-173.3 170.7 12.5 13.6 33.2 59 59 A L S S+ 0 0 17 -2,-0.3 2,-0.1 11,-0.1 -53,-0.1 -0.992 103.2 45.3-117.2 134.5 12.6 17.5 33.1 60 60 A P S S+ 0 0 5 0, 0.0 11,-0.6 0, 0.0 2,-0.3 0.388 76.2 165.8 -79.3 162.5 10.7 19.2 31.8 61 61 A Y E -BC 5 70A 2 -56,-1.6 -56,-2.7 9,-0.2 2,-0.4 -0.935 21.4-156.6-134.6 152.6 7.4 17.6 32.8 62 62 A L E -BC 4 69A 1 7,-1.9 7,-2.8 -2,-0.3 2,-0.5 -0.989 2.8-163.1-126.3 122.3 3.8 18.9 32.5 63 63 A I E +BC 3 68A 21 -60,-2.7 -60,-2.1 -2,-0.4 2,-0.4 -0.961 11.8 175.3-108.2 124.7 1.0 17.6 34.8 64 64 A D E > - C 0 67A 35 3,-3.6 3,-1.9 -2,-0.5 2,-0.6 -0.752 61.4 -69.6-129.7 78.9 -2.5 18.5 33.4 65 65 A G T 3 S- 0 0 64 -2,-0.4 -1,-0.0 -64,-0.3 0, 0.0 -0.648 119.9 -10.0 76.9-118.5 -5.1 16.9 35.6 66 66 A S T 3 S+ 0 0 112 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.3 0.623 121.0 92.8 -83.9 -24.1 -4.8 13.2 35.0 67 67 A R E < -C 64 0A 107 -3,-1.9 -3,-3.6 2,-0.0 2,-0.4 -0.694 52.7-176.5 -78.3 124.5 -2.5 13.7 32.0 68 68 A K E -C 63 0A 75 -2,-0.4 2,-0.4 -5,-0.2 -13,-0.2 -0.990 8.4-172.5-122.4 124.7 1.3 13.6 32.8 69 69 A I E -C 62 0A 2 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.3 -0.980 11.2-179.1-123.0 141.0 3.7 14.4 29.9 70 70 A T E +C 61 0A 3 -2,-0.4 -9,-0.2 -9,-0.2 250,-0.1 -0.754 50.0 68.3-125.6 172.2 7.5 14.2 29.6 71 71 A Q S >> S- 0 0 16 -11,-0.6 4,-2.0 -2,-0.3 3,-0.8 0.852 74.9-122.8 78.7 111.2 9.6 15.1 26.5 72 72 A S H 3> S+ 0 0 12 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.832 110.7 50.8 -50.0 -41.9 9.7 18.9 25.7 73 73 A N H 3> S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.889 109.6 49.8 -68.3 -35.2 8.4 18.3 22.1 74 74 A A H <> S+ 0 0 2 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.877 109.5 51.9 -73.2 -34.5 5.5 16.2 23.3 75 75 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.957 111.0 49.1 -57.3 -45.0 4.6 18.9 25.9 76 76 A M H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 110.8 48.3 -58.7 -51.5 4.6 21.4 23.0 77 77 A R H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.838 108.6 54.9 -62.7 -31.3 2.4 19.3 20.7 78 78 A Y H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.959 110.9 44.1 -69.8 -44.7 -0.1 18.7 23.6 79 79 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.890 112.7 53.9 -66.3 -39.4 -0.6 22.4 24.1 80 80 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.5 0.880 109.1 46.7 -64.9 -40.6 -0.8 23.0 20.3 81 81 A R H ><5S+ 0 0 49 -4,-2.1 3,-0.6 2,-0.2 -1,-0.2 0.881 112.3 50.5 -69.1 -37.2 -3.6 20.4 19.8 82 82 A K H 3<5S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.866 121.2 35.1 -68.3 -34.4 -5.6 21.9 22.8 83 83 A H T 3<5S- 0 0 63 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.234 107.9-115.6-108.8 12.3 -5.2 25.4 21.4 84 84 A H T < 5 + 0 0 163 -3,-0.6 -3,-0.2 -4,-0.5 -4,-0.1 0.866 69.5 137.1 53.0 45.6 -5.4 24.8 17.6 85 85 A L < + 0 0 18 -5,-2.7 69,-2.3 -6,-0.1 2,-0.3 -0.306 40.1 102.3-111.1 41.0 -1.8 25.9 17.0 86 86 A C S S- 0 0 47 -6,-0.2 7,-0.1 67,-0.2 2,-0.1 -0.747 84.8 -83.6-113.5 168.8 -1.0 23.1 14.6 87 87 A G - 0 0 14 -2,-0.3 -1,-0.1 5,-0.1 -2,-0.1 -0.410 31.0-154.8 -69.2 154.0 -0.8 23.3 10.8 88 88 A E S S+ 0 0 121 -2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.567 72.9 46.0-105.9 -14.3 -4.1 22.9 9.0 89 89 A T S > S- 0 0 74 1,-0.1 4,-2.2 0, 0.0 3,-0.4 -0.845 91.3-106.2-126.3 163.9 -2.9 21.6 5.7 90 90 A E H > S+ 0 0 35 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.899 119.5 57.1 -53.7 -41.5 -0.4 18.9 4.7 91 91 A E H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 108.0 44.9 -60.3 -45.1 2.0 21.6 3.7 92 92 A E H > S+ 0 0 16 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.846 111.0 54.2 -66.2 -38.6 2.0 23.3 7.1 93 93 A R H X S+ 0 0 91 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.903 109.0 49.0 -64.6 -39.7 2.3 20.0 8.9 94 94 A I H X S+ 0 0 16 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.941 112.1 46.7 -61.6 -51.4 5.4 19.1 6.9 95 95 A R H X S+ 0 0 27 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.937 113.5 50.0 -58.9 -44.2 7.1 22.4 7.5 96 96 A A H X S+ 0 0 3 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.899 110.0 49.9 -60.9 -45.8 6.3 22.2 11.2 97 97 A D H X S+ 0 0 6 -4,-2.5 4,-1.7 -5,-0.2 5,-0.2 0.969 112.5 47.8 -53.0 -48.1 7.7 18.6 11.5 98 98 A I H X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.958 113.6 45.9 -61.3 -49.5 10.9 19.7 9.8 99 99 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.894 106.9 57.0 -64.3 -40.7 11.5 22.7 11.9 100 100 A E H X S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.929 114.9 40.0 -55.6 -47.2 10.7 21.0 15.3 101 101 A N H X S+ 0 0 10 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.889 111.3 55.1 -71.6 -33.8 13.4 18.6 14.5 102 102 A Q H X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.922 105.1 55.6 -64.2 -46.3 15.9 21.0 13.0 103 103 A V H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.904 105.5 50.9 -46.3 -48.7 15.7 23.1 16.2 104 104 A M H X S+ 0 0 39 -4,-1.2 4,-3.0 -5,-0.2 -1,-0.2 0.924 109.2 50.9 -64.4 -44.6 16.7 20.1 18.3 105 105 A D H X S+ 0 0 52 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.916 113.5 44.2 -54.4 -50.4 19.7 19.4 16.1 106 106 A N H X S+ 0 0 4 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.877 113.6 51.8 -65.8 -36.5 20.9 23.0 16.4 107 107 A R H X S+ 0 0 7 -4,-3.0 4,-2.0 -5,-0.3 3,-0.4 0.935 107.8 51.7 -61.8 -50.2 20.1 23.0 20.1 108 108 A M H X S+ 0 0 76 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.904 105.7 55.7 -54.9 -38.7 22.2 19.8 20.6 109 109 A Q H X S+ 0 0 62 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.893 106.5 50.0 -60.7 -37.7 25.2 21.4 18.8 110 110 A L H X S+ 0 0 0 -4,-1.2 4,-3.3 -3,-0.4 -2,-0.2 0.927 111.7 48.1 -67.4 -49.5 25.3 24.3 21.2 111 111 A I H X S+ 0 0 44 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.925 106.1 56.0 -55.6 -51.0 25.2 22.1 24.2 112 112 A M H < S+ 0 0 114 -4,-2.5 -1,-0.2 2,-0.2 3,-0.2 0.902 115.1 40.6 -53.3 -43.5 28.0 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