==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-97 8GSS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE P1-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.OAKLEY,M.PARKER . 627 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 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 . 6 1.0 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 . 2 0.3 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 . 19 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 47.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 3 3 3 0 3 3 0 3 3 0 0 0 3 0 0 0 0 0 0 0 0 3 0 3 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 6 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 3 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 2,-0.2 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 168.2 35.0 21.0 27.0 2 2 A P - 0 0 92 0, 0.0 56,-1.7 0, 0.0 2,-0.4 0.602 360.0-156.4 -70.8 163.5 32.7 22.6 27.9 3 3 A Y E +A 57 0A 9 24,-0.5 26,-2.5 54,-0.2 2,-0.4 -0.934 18.2 174.5-115.9 140.5 30.2 19.7 28.0 4 4 A T E -Ab 56 29A 17 52,-1.8 52,-2.5 -2,-0.4 2,-0.5 -0.994 12.3-161.2-142.8 124.9 26.4 19.8 27.8 5 5 A V E -Ab 55 30A 1 24,-2.6 26,-2.8 -2,-0.4 2,-0.6 -0.951 5.5-160.1-111.2 128.2 24.1 16.9 27.7 6 6 A V E +Ab 54 31A 3 48,-3.0 48,-1.9 -2,-0.5 2,-0.3 -0.955 35.3 130.4-107.0 117.5 20.6 17.5 26.3 7 7 A Y E - b 0 32A 21 24,-2.3 26,-2.5 -2,-0.6 -2,-0.0 -0.967 57.0 -84.7-160.2 169.5 18.2 14.7 27.4 8 8 A F - 0 0 57 -2,-0.3 2,-2.6 24,-0.2 26,-0.1 -0.326 61.5 -86.5 -73.8 164.7 14.8 13.8 28.9 9 9 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.308 97.4 96.7 -75.1 64.9 14.5 13.6 32.7 10 10 A V S S- 0 0 9 -2,-2.6 193,-0.2 1,-0.2 194,-0.1 -0.937 74.4-132.1-147.4 157.1 15.7 10.0 32.9 11 11 A R S >> S+ 0 0 39 191,-2.3 3,-2.4 -2,-0.3 4,-1.0 0.961 70.2 118.5 -73.9 -57.8 18.9 8.1 33.5 12 12 A G G >4 S- 0 0 10 191,-2.6 3,-0.8 1,-0.3 4,-0.4 0.077 86.7 -5.8 35.0-127.0 18.3 5.9 30.4 13 13 A R G 34 S+ 0 0 56 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.374 134.3 58.1 -79.0 4.4 21.0 6.2 27.7 14 14 A C G <> S+ 0 0 0 -3,-2.4 4,-2.4 2,-0.1 5,-0.2 0.554 80.1 86.6-107.5 -11.9 22.8 9.0 29.4 15 15 A A H S+ 0 0 2 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.917 113.8 46.3 -62.2 -45.7 26.8 5.6 31.4 17 17 A L H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.853 112.3 51.9 -68.5 -32.4 28.2 8.8 29.9 18 18 A R H X S+ 0 0 12 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.913 109.4 49.1 -68.1 -43.9 27.3 10.8 33.1 19 19 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.907 111.8 50.8 -60.6 -41.2 29.1 8.2 35.3 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.957 111.9 45.8 -60.4 -52.8 32.1 8.4 32.9 21 21 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 -2,-0.2 0.927 116.1 45.8 -56.4 -48.1 32.2 12.2 33.1 22 22 A A H ><5S+ 0 0 14 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.945 112.8 48.7 -61.9 -50.7 31.8 12.3 36.9 23 23 A D H 3<5S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 165,-0.2 0.791 109.8 53.1 -62.6 -28.5 34.4 9.6 37.5 24 24 A Q T 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.255 117.2-113.5 -89.8 10.6 36.8 11.4 35.2 25 25 A G T < 5 + 0 0 45 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.790 65.1 151.1 63.7 30.6 36.4 14.6 37.2 26 26 A Q < - 0 0 54 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.673 38.6-139.0 -95.1 148.4 34.8 16.4 34.3 27 27 A S + 0 0 110 -2,-0.3 -24,-0.5 -23,-0.0 2,-0.3 -0.821 29.1 164.0-104.6 144.8 32.2 19.2 34.7 28 28 A W - 0 0 46 -2,-0.3 2,-0.3 -26,-0.1 -24,-0.2 -0.970 31.4-120.0-153.6 166.0 29.1 19.4 32.4 29 29 A K E -b 4 0A 109 -26,-2.5 -24,-2.6 -2,-0.3 2,-0.5 -0.864 20.1-140.5-112.7 144.8 25.8 21.1 32.1 30 30 A E E -b 5 0A 50 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.921 9.9-167.6-108.0 128.7 22.4 19.3 32.0 31 31 A E E -b 6 0A 76 -26,-2.8 -24,-2.3 -2,-0.5 2,-0.6 -0.960 15.0-153.4-115.6 105.3 19.6 20.5 29.7 32 32 A V E -b 7 0A 91 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.2 -0.743 5.1-146.5 -85.9 120.3 16.4 18.7 30.6 33 33 A V - 0 0 8 -26,-2.5 2,-0.1 -2,-0.6 -2,-0.0 -0.758 11.5-152.5 -91.5 124.0 13.9 18.4 27.8 34 34 A T > - 0 0 73 -2,-0.5 4,-2.4 -26,-0.1 5,-0.2 -0.431 28.3-110.6 -87.9 166.2 10.2 18.5 28.7 35 35 A V H > S+ 0 0 65 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.904 118.9 55.6 -63.6 -38.5 7.3 16.9 26.8 36 36 A E H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.944 109.3 45.5 -59.5 -49.2 6.1 20.3 25.8 37 37 A T H > S+ 0 0 62 2,-0.2 4,-0.9 1,-0.2 6,-0.4 0.922 114.8 47.8 -60.3 -44.4 9.5 21.2 24.2 38 38 A W H >< S+ 0 0 47 -4,-2.4 3,-0.7 1,-0.2 6,-0.3 0.921 113.8 46.9 -64.0 -44.0 9.7 17.8 22.5 39 39 A Q H 3< S+ 0 0 67 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.790 96.9 72.0 -68.5 -28.1 6.2 18.1 21.2 40 40 A E H 3< S- 0 0 129 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 96.6-143.6 -56.3 -37.1 6.7 21.6 19.9 41 41 A G S S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.908 88.2 49.0 -64.1 -41.7 11.9 22.4 16.5 43 43 A L H > S+ 0 0 28 -6,-0.4 4,-0.9 2,-0.2 3,-0.4 0.973 114.7 44.6 -60.4 -56.1 14.3 20.6 18.8 44 44 A K H >4 S+ 0 0 86 -6,-0.3 3,-0.8 -7,-0.3 6,-0.2 0.886 112.3 52.7 -53.6 -44.3 13.5 17.1 17.5 45 45 A A H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 107.9 51.8 -63.2 -33.4 13.6 18.4 13.9 46 46 A S H 3< S+ 0 0 70 -4,-1.9 2,-0.3 -3,-0.4 -1,-0.2 0.625 89.7 96.3 -78.5 -16.6 17.1 19.9 14.6 47 47 A C S X< S- 0 0 5 -4,-0.9 3,-1.5 -3,-0.8 5,-0.1 -0.628 82.2-125.5 -76.1 136.1 18.4 16.6 15.9 48 48 A L T 3 S+ 0 0 28 -2,-0.3 -1,-0.1 1,-0.3 293,-0.1 0.862 109.1 16.9 -46.4 -51.8 20.3 14.5 13.3 49 49 A Y T 3 S- 0 0 41 2,-0.3 -1,-0.3 289,-0.0 3,-0.1 0.099 113.8-106.1-110.4 20.3 18.1 11.4 13.8 50 50 A G S < S+ 0 0 12 -3,-1.5 2,-0.3 -6,-0.2 -2,-0.1 0.752 86.8 101.9 61.5 29.1 15.3 13.2 15.6 51 51 A Q - 0 0 116 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.910 61.2 -88.8-141.6 163.3 16.3 11.8 19.0 52 52 A L S S+ 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 -45,-0.1 -0.810 77.5 73.2-110.2 161.7 18.1 12.5 22.3 53 53 A P + 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.4 0.349 57.4 179.9 -68.4 154.2 20.7 12.5 23.8 54 54 A K E -AC 6 63A 34 -48,-1.9 -48,-3.0 9,-0.2 2,-0.4 -0.949 10.0-161.8-119.6 141.2 22.3 15.4 22.1 55 55 A F E -AC 5 62A 0 7,-3.1 7,-3.4 -2,-0.4 2,-0.4 -0.985 9.6-160.8-133.2 139.7 25.8 16.3 23.3 56 56 A Q E +AC 4 61A 52 -52,-2.5 -52,-1.8 -2,-0.4 2,-0.4 -0.973 10.6 176.0-122.7 129.7 27.9 19.4 23.0 57 57 A D E > S-AC 3 60A 24 3,-3.2 3,-1.9 -2,-0.4 2,-0.2 -0.832 70.4 -60.1-130.3 92.1 31.6 19.6 23.4 58 58 A G T 3 S- 0 0 37 -56,-1.7 -1,-0.1 -2,-0.4 -54,-0.0 -0.506 121.4 -14.9 67.6-131.0 32.7 23.1 22.6 59 59 A D T 3 S+ 0 0 154 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.397 119.8 99.2 -84.8 4.4 31.7 23.8 19.0 60 60 A L E < -C 57 0A 16 -3,-1.9 -3,-3.2 2,-0.0 2,-0.5 -0.808 54.2-168.1 -96.2 129.3 31.2 20.1 18.4 61 61 A T E -C 56 0A 54 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.970 10.6-177.7-117.8 128.7 27.6 18.7 18.6 62 62 A L E -C 55 0A 0 -7,-3.4 -7,-3.1 -2,-0.5 2,-0.3 -0.868 12.8-165.7-126.9 158.3 27.1 14.9 18.7 63 63 A Y E +C 54 0A 27 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.899 52.3 64.7-134.7 161.6 24.1 12.5 18.7 64 64 A Q S >> S- 0 0 26 -11,-0.9 4,-2.2 -2,-0.3 3,-0.7 0.708 71.2-122.9 87.4 114.1 23.9 8.8 19.6 65 65 A S H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.857 112.1 48.5 -54.0 -40.4 24.8 7.6 23.1 66 66 A N H 3> S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.790 108.0 54.8 -72.8 -26.7 27.5 5.3 21.9 67 67 A T H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.909 109.6 47.8 -69.6 -40.6 29.1 8.0 19.8 68 68 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.934 112.6 49.0 -64.9 -44.6 29.2 10.2 22.9 69 69 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.928 113.8 45.3 -60.4 -47.3 30.8 7.4 24.9 70 70 A R H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.870 112.0 53.1 -65.5 -35.9 33.4 6.6 22.2 71 71 A H H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.948 113.4 41.1 -63.5 -50.4 34.1 10.4 21.8 72 72 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 6,-0.3 0.894 113.3 59.2 -64.5 -35.7 34.7 10.8 25.5 73 73 A G H X>S+ 0 0 0 -4,-2.6 5,-3.3 -5,-0.3 4,-0.6 0.937 111.2 36.3 -59.1 -51.4 36.6 7.5 25.4 74 74 A R H ><5S+ 0 0 39 -4,-2.9 3,-0.6 3,-0.2 -2,-0.2 0.927 119.1 48.2 -73.9 -37.1 39.2 8.6 22.8 75 75 A T H 3<5S+ 0 0 44 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.762 118.9 39.7 -74.3 -23.8 39.6 12.2 24.0 76 76 A L H 3<5S- 0 0 47 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.390 115.1-108.3-103.6 1.6 40.0 11.1 27.7 77 77 A G T <<5S+ 0 0 46 -3,-0.6 -3,-0.2 -4,-0.6 3,-0.2 0.852 79.8 127.0 75.1 36.8 42.1 8.0 27.1 78 78 A L < + 0 0 7 -5,-3.3 72,-2.3 -6,-0.3 73,-0.3 -0.314 46.1 87.4-117.7 47.5 39.4 5.5 28.0 79 79 A Y S S- 0 0 23 1,-0.5 -1,-0.1 -6,-0.3 70,-0.1 -0.175 99.5 -77.1-141.8 44.4 39.7 3.4 24.8 80 80 A G - 0 0 17 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 0.012 43.0 -93.4 81.7 166.5 42.4 0.8 25.4 81 81 A K S S+ 0 0 133 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.670 101.3 1.7 -90.8 -21.7 46.2 1.1 25.4 82 82 A D S > S- 0 0 74 -3,-0.1 4,-2.2 1,-0.0 5,-0.2 -0.896 91.4 -77.5-151.3-177.6 46.5 0.1 21.7 83 83 A Q H > S+ 0 0 100 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.865 124.5 52.7 -58.8 -38.6 44.6 -0.9 18.6 84 84 A Q H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 110.6 46.3 -64.5 -45.2 43.9 -4.4 19.8 85 85 A E H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.878 107.8 58.0 -64.2 -36.6 42.5 -3.3 23.2 86 86 A A H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.913 106.3 49.5 -59.8 -40.3 40.4 -0.7 21.4 87 87 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.885 110.7 49.1 -65.4 -40.9 38.8 -3.6 19.3 88 88 A L H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.890 108.7 53.7 -66.5 -37.5 38.1 -5.6 22.5 89 89 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.914 109.8 48.4 -62.7 -41.8 36.6 -2.5 24.1 90 90 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.909 107.9 54.1 -63.4 -43.8 34.3 -2.2 21.0 91 91 A M H X S+ 0 0 12 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.886 111.6 45.5 -58.6 -40.8 33.3 -5.8 21.2 92 92 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.957 113.2 49.3 -67.7 -49.1 32.3 -5.4 24.9 93 93 A N H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.863 109.4 51.1 -60.4 -38.2 30.4 -2.2 24.2 94 94 A D H X S+ 0 0 13 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.872 110.0 51.0 -66.1 -37.4 28.5 -3.7 21.2 95 95 A G H X S+ 0 0 4 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.916 110.8 48.2 -64.9 -42.1 27.5 -6.6 23.5 96 96 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.930 110.9 51.3 -62.8 -45.6 26.3 -4.1 26.1 97 97 A E H X S+ 0 0 23 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.901 106.9 54.0 -59.0 -43.3 24.3 -2.2 23.5 98 98 A D H X S+ 0 0 47 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.931 113.2 41.2 -58.3 -48.3 22.6 -5.4 22.2 99 99 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.876 110.9 57.4 -69.3 -35.4 21.4 -6.4 25.7 100 100 A R H X S+ 0 0 8 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.887 104.6 53.3 -62.0 -36.6 20.4 -2.7 26.4 101 101 A C H X S+ 0 0 53 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.908 109.6 46.8 -64.5 -40.4 18.2 -2.8 23.3 102 102 A K H X S+ 0 0 99 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.899 113.0 50.1 -67.3 -39.6 16.5 -6.0 24.6 103 103 A Y H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.938 111.2 48.2 -62.5 -48.3 16.1 -4.3 28.0 104 104 A I H X S+ 0 0 48 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.911 109.7 53.1 -59.5 -43.1 14.6 -1.2 26.4 105 105 A S H X>S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 5,-0.7 0.929 111.3 46.7 -58.8 -45.5 12.2 -3.3 24.4 106 106 A L H X5S+ 0 0 9 -4,-2.3 4,-1.7 3,-0.2 -2,-0.2 0.980 113.7 46.9 -59.4 -58.4 11.0 -5.0 27.5 107 107 A I H <5S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.860 124.8 28.5 -51.8 -46.4 10.6 -1.8 29.6 108 108 A Y H <5S+ 0 0 74 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.666 132.3 23.4 -96.0 -18.4 8.7 0.2 26.9 109 109 A T H <5S+ 0 0 51 -4,-2.4 448,-1.9 -5,-0.3 -3,-0.2 0.600 131.0 12.6-125.7 -13.6 6.9 -2.4 24.8 110 110 A N X< + 0 0 47 -4,-1.7 4,-1.8 -5,-0.7 5,-0.2 -0.012 69.2 135.2-160.3 47.1 6.3 -5.6 26.7 111 111 A Y H > S+ 0 0 37 444,-0.3 4,-1.8 -4,-0.3 5,-0.2 0.953 76.5 42.3 -64.7 -55.0 6.9 -5.3 30.4 112 112 A E H 4 S+ 0 0 75 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.939 126.2 30.9 -60.4 -52.2 3.9 -7.1 31.9 113 113 A A H 4 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.787 126.5 41.8 -80.4 -28.7 3.8 -10.1 29.5 114 114 A G H X S+ 0 0 8 -4,-1.8 4,-2.4 -8,-0.2 -3,-0.2 0.625 86.0 87.5 -98.5 -10.5 7.5 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30.6 -3.2 14.0 277 67 B T H <> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.913 109.6 47.8 -70.2 -40.7 33.6 -4.2 16.1 278 68 B I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.935 112.6 48.9 -64.6 -44.6 35.1 -5.8 13.0 279 69 B L H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.925 113.9 45.3 -60.6 -47.5 34.3 -2.7 10.9 280 70 B R H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.869 112.1 52.8 -64.9 -36.8 35.9 -0.4 13.5 281 71 B H H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.947 114.1 40.8 -62.8 -50.6 38.9 -2.7 13.8 282 72 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 6,-0.3 0.916 114.5 56.3 -63.1 -40.8 39.5 -2.7 10.1 283 73 B G H <>S+ 0 0 0 -4,-2.9 5,-3.4 -5,-0.3 4,-0.5 0.910 112.8 37.6 -59.3 -47.7 38.7 1.0 10.1 284 74 B R H ><5S+ 0 0 38 -4,-2.9 3,-0.5 3,-0.2 -1,-0.2 0.909 119.2 47.2 -75.5 -36.6 41.3 2.0 12.6 285 75 B T H 3<5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.802 118.9 40.1 -73.6 -28.7 44.0 -0.5 11.4 286 76 B L T 3<5S- 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.366 116.0-107.5 -99.8 2.3 43.6 0.4 7.7 287 77 B G T < 5S+ 0 0 44 -3,-0.5 -3,-0.2 -4,-0.5 3,-0.1 0.844 80.9 125.9 75.2 37.0 43.2 4.2 8.2 288 78 B L < + 0 0 6 -5,-3.4 72,-2.4 -6,-0.3 73,-0.3 -0.340 45.8 88.9-119.9 49.3 39.4 4.4 7.5 289 79 B Y S S- 0 0 22 1,-0.5 -1,-0.1 70,-0.2 70,-0.1 -0.196 98.9 -76.3-141.6 46.0 38.4 6.1 10.7 290 80 B G - 0 0 17 68,-0.3 -1,-0.5 -3,-0.1 3,-0.1 -0.014 42.6 -94.1 80.6 165.6 38.6 9.9 10.0 291 81 B K S S+ 0 0 132 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.638 101.4 2.8 -91.4 -19.2 41.6 12.2 9.8 292 82 B D S > S- 0 0 74 -3,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.907 90.4 -79.9-153.5-179.8 41.4 13.2 13.5 293 83 B Q H > S+ 0 0 105 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.854 124.6 51.6 -58.4 -39.9 39.5 12.7 16.7 294 84 B Q H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 111.6 46.2 -64.8 -45.6 36.6 14.9 15.7 295 85 B E H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.868 107.9 57.5 -64.5 -36.4 36.1 13.1 12.3 296 86 B A H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.915 106.3 50.6 -59.6 -39.7 36.3 9.8 14.1 297 87 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.889 109.8 49.0 -65.3 -40.9 33.4 10.9 16.2 298 88 B L H X S+ 0 0 47 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.894 108.6 53.8 -66.5 -37.4 31.4 11.9 13.1 299 89 B V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.912 109.8 48.4 -62.7 -41.5 32.2 8.5 11.5 300 90 B D H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.915 107.8 54.3 -63.9 -44.1 30.8 6.9 14.7 301 91 B M H X S+ 0 0 12 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.885 111.5 45.6 -57.9 -40.6 27.7 9.0 14.6 302 92 B V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.953 113.1 49.4 -67.9 -48.5 27.0 7.9 11.0 303 93 B N H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.862 109.2 51.3 -60.9 -38.4 27.7 4.2 11.8 304 94 B D H X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.877 110.0 51.0 -66.0 -38.0 25.4 4.2 14.8 305 95 B G H X S+ 0 0 4 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.913 110.8 48.2 -64.4 -42.2 22.7 5.7 12.6 306 96 B V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.932 110.9 51.3 -62.5 -46.3 23.3 3.0 10.0 307 97 B E H X S+ 0 0 24 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.896 106.9 54.1 -58.7 -43.0 23.2 0.3 12.7 308 98 B D H X S+ 0 0 52 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.935 113.2 41.2 -58.7 -48.2 19.9 1.6 14.1 309 99 B L H X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.879 111.0 57.4 -69.1 -35.6 18.2 1.4 10.7 310 100 B R H X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.886 104.7 53.2 -61.4 -36.9 19.8 -1.9 10.0 311 101 B C H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.909 109.7 46.8 -64.6 -40.9 18.2 -3.2 13.2 312 102 B K H X S+ 0 0 104 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.897 113.0 50.2 -66.9 -39.4 14.8 -2.1 12.0 313 103 B Y H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.938 111.2 47.9 -63.0 -48.0 15.4 -3.6 8.6 314 104 B I H X S+ 0 0 47 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.906 109.8 53.3 -60.1 -42.4 16.5 -6.9 10.2 315 105 B S H X>S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 5,-0.7 0.929 111.1 46.8 -59.1 -45.5 13.4 -6.9 12.4 316 106 B L H X5S+ 0 0 8 -4,-2.3 4,-1.7 3,-0.2 5,-0.4 0.978 113.8 46.6 -59.3 -58.5 11.2 -6.4 9.3 317 107 B I H <5S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.863 124.7 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