==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUL-12 4G9H . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 404 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 10 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.5 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 0 1 2 2 4 0 0 0 2 2 0 0 0 0 0 2 0 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 . 3 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A V 0 0 170 0, 0.0 61,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -26.2 54.5 109.9 26.0 2 1 A M - 0 0 99 1,-0.1 25,-0.1 25,-0.0 26,-0.1 -0.189 360.0 -76.5 -68.6 158.9 53.6 106.3 25.4 3 2 A M E -a 27 0A 11 23,-0.5 25,-2.7 24,-0.1 2,-0.4 -0.176 44.9-161.1 -61.2 143.6 50.3 104.8 26.6 4 3 A K E -aB 28 58A 65 54,-1.3 54,-3.0 23,-0.2 2,-0.5 -0.994 3.6-152.1-129.0 133.8 49.9 104.0 30.3 5 4 A L E -aB 29 57A 0 23,-2.3 25,-2.6 -2,-0.4 2,-0.5 -0.907 4.9-149.8-110.2 126.5 47.3 101.7 31.9 6 5 A F E +aB 30 56A 4 50,-2.9 50,-0.9 -2,-0.5 2,-0.3 -0.811 36.0 154.2 -91.5 130.2 46.0 102.1 35.4 7 6 A Y E -a 31 0A 8 23,-1.6 25,-1.7 -2,-0.5 5,-0.0 -0.957 41.7-141.8-151.6 160.2 45.0 98.8 36.9 8 7 A K > - 0 0 93 -2,-0.3 3,-2.2 23,-0.2 5,-0.3 -0.993 52.5 -87.6-126.3 136.7 44.5 96.7 40.0 9 8 A P T 3 S- 0 0 42 0, 0.0 3,-0.1 0, 0.0 188,-0.1 -0.131 107.5 -5.5 -47.3 119.1 45.5 93.0 39.9 10 9 A G T 3 S+ 0 0 10 1,-0.2 156,-0.1 2,-0.0 155,-0.1 0.374 103.0 126.9 77.8 -5.4 42.7 90.7 38.5 11 10 A A S X S- 0 0 15 -3,-2.2 3,-2.5 1,-0.1 4,-0.2 -0.098 86.3 -81.5 -72.6-177.5 40.2 93.6 38.4 12 11 A C T > S+ 0 0 19 1,-0.3 3,-1.6 42,-0.2 150,-0.1 0.685 123.7 78.2 -68.1 -13.4 38.3 94.4 35.2 13 12 A S T 3> S+ 0 0 0 -5,-0.3 4,-1.5 1,-0.3 -1,-0.3 0.577 73.1 79.1 -68.9 -11.3 41.4 96.3 34.1 14 13 A L H <> S+ 0 0 0 -3,-2.5 4,-2.8 2,-0.2 -1,-0.3 0.829 84.3 65.6 -63.8 -28.7 42.9 92.9 33.2 15 14 A S H <> S+ 0 0 3 -3,-1.6 4,-2.2 -4,-0.2 -2,-0.2 0.971 106.9 34.5 -63.9 -56.1 40.8 93.1 30.1 16 15 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.799 113.4 62.4 -68.6 -23.2 42.5 96.0 28.4 17 16 A H H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.961 107.4 44.0 -60.0 -49.2 45.8 94.8 29.9 18 17 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.924 111.9 52.6 -56.9 -49.2 45.3 91.6 27.8 19 18 A V H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.884 104.0 57.2 -58.8 -40.0 44.2 93.6 24.7 20 19 A L H X>S+ 0 0 0 -4,-2.5 5,-1.4 2,-0.2 4,-0.8 0.915 111.5 42.0 -56.5 -45.3 47.4 95.8 24.9 21 20 A R H ><5S+ 0 0 78 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.897 113.5 51.3 -71.1 -41.3 49.6 92.7 24.7 22 21 A E H 3<5S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 109.7 53.4 -60.7 -27.7 47.5 91.1 22.0 23 22 A A H 3<5S- 0 0 3 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.692 102.8-133.5 -84.9 -21.0 47.8 94.3 20.1 24 23 A G T <<5 + 0 0 42 -4,-0.8 2,-0.2 -3,-0.6 -3,-0.2 0.677 51.8 152.5 76.1 19.1 51.5 94.4 20.2 25 24 A L < - 0 0 38 -5,-1.4 2,-0.3 1,-0.1 -1,-0.2 -0.512 50.6-114.4 -81.7 147.9 51.5 98.1 21.3 26 25 A D + 0 0 134 -2,-0.2 -23,-0.5 2,-0.0 2,-0.3 -0.670 56.7 139.0 -76.5 136.1 54.2 99.7 23.4 27 26 A F E -a 3 0A 33 -2,-0.3 2,-0.3 -25,-0.1 -23,-0.2 -0.969 41.5-132.6-168.3 159.5 52.8 100.8 26.7 28 27 A S E -a 4 0A 47 -25,-2.7 -23,-2.3 -2,-0.3 2,-0.3 -0.882 18.3-141.3-120.3 160.4 53.5 100.9 30.4 29 28 A I E -a 5 0A 46 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.863 11.5-170.0-118.9 155.5 51.3 99.8 33.4 30 29 A E E -a 6 0A 29 -25,-2.6 -23,-1.6 -2,-0.3 -2,-0.0 -0.919 19.0-129.3-151.2 122.4 50.8 101.4 36.8 31 30 A R E -a 7 0A 71 -2,-0.3 9,-1.8 -25,-0.2 2,-0.4 -0.208 18.8-158.9 -74.3 155.8 49.0 99.9 39.8 32 31 A V E -D 39 0B 4 -25,-1.7 2,-0.6 7,-0.2 7,-0.2 -0.997 16.3-136.4-139.9 131.4 46.2 101.6 41.9 33 32 A D E >> -D 38 0B 72 5,-2.1 4,-1.1 -2,-0.4 5,-0.7 -0.794 14.6-157.1 -84.5 118.2 44.8 101.1 45.4 34 33 A L T 45S+ 0 0 58 -2,-0.6 -1,-0.1 3,-0.2 5,-0.1 0.458 85.8 47.3 -80.4 -0.5 41.0 101.3 45.2 35 34 A V T 45S+ 0 0 125 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.849 120.1 30.7 -99.2 -62.7 40.6 102.3 48.9 36 35 A T T 45S- 0 0 78 2,-0.1 -2,-0.2 1,-0.0 9,-0.1 0.597 98.7-134.1 -71.8 -12.1 43.1 105.0 49.6 37 36 A K T <5 + 0 0 59 -4,-1.1 8,-2.6 1,-0.2 9,-0.5 0.877 61.0 133.7 56.6 40.5 42.7 106.1 45.9 38 37 A K E < -DE 33 44B 94 -5,-0.7 -5,-2.1 6,-0.2 -1,-0.2 -0.982 52.3-133.8-122.8 130.7 46.5 106.4 45.7 39 38 A T E > -D 32 0B 9 4,-1.6 3,-1.0 -2,-0.4 -7,-0.2 -0.168 36.0 -98.6 -69.9 174.2 48.6 105.0 42.8 40 39 A E T 3 S+ 0 0 127 -9,-1.8 -8,-0.1 1,-0.2 -1,-0.1 0.473 123.6 52.8 -75.1 -1.0 51.7 103.0 43.6 41 40 A T T 3 S- 0 0 95 -10,-0.2 -1,-0.2 2,-0.1 -9,-0.1 0.451 121.3 -99.4-113.9 -6.3 53.8 106.1 42.9 42 41 A G S < S+ 0 0 56 -3,-1.0 3,-0.1 1,-0.3 -2,-0.1 -0.039 73.5 135.0 119.7 -30.4 52.0 108.5 45.3 43 42 A A - 0 0 46 1,-0.1 -4,-1.6 -5,-0.1 2,-0.6 0.037 62.5-103.8 -59.2 158.0 49.6 110.5 43.1 44 43 A D B >> -E 38 0B 67 -6,-0.2 4,-1.2 1,-0.1 3,-0.6 -0.740 25.9-157.4 -81.9 117.3 46.0 111.3 43.8 45 44 A Y H 3> S+ 0 0 0 -8,-2.6 4,-3.6 -2,-0.6 7,-0.2 0.805 89.9 61.7 -70.1 -29.7 43.9 109.0 41.6 46 45 A L H 34 S+ 0 0 79 -9,-0.5 -1,-0.2 1,-0.2 6,-0.1 0.792 99.6 57.2 -67.4 -28.2 40.8 111.2 41.7 47 46 A S H <4 S+ 0 0 86 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.953 117.2 34.5 -58.7 -51.8 43.0 113.8 40.0 48 47 A I H < S+ 0 0 58 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.998 138.6 13.5 -67.3 -69.5 43.5 111.3 37.3 49 48 A N >< - 0 0 2 -4,-3.6 3,-2.1 1,-0.1 -1,-0.3 -0.896 62.9-168.3-117.8 105.6 40.1 109.5 37.2 50 49 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.692 90.1 61.8 -63.9 -25.6 37.4 111.4 39.2 51 50 A K T 3 S- 0 0 42 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.605 104.9-138.3 -74.9 -11.5 35.1 108.3 39.0 52 51 A G < + 0 0 4 -3,-2.1 2,-0.3 -7,-0.2 -6,-0.1 0.748 56.3 118.1 63.9 32.5 37.9 106.6 41.0 53 52 A Q - 0 0 54 2,-0.1 -1,-0.2 -8,-0.1 -2,-0.1 -0.815 56.0 -91.8-124.2 161.0 37.9 103.3 39.1 54 53 A V S S+ 0 0 10 -2,-0.3 -42,-0.2 -22,-0.1 -47,-0.1 -0.840 84.7 57.9-104.7 154.8 40.2 101.1 37.0 55 54 A P + 0 0 8 0, 0.0 12,-0.6 0, 0.0 2,-0.3 0.609 59.9 155.0 -77.9 161.9 40.8 100.7 34.1 56 55 A A E -BC 6 66A 0 -50,-0.9 -50,-2.9 10,-0.2 2,-0.4 -0.931 24.3-155.0-146.8 131.9 41.9 104.1 32.9 57 56 A L E -BC 5 65A 0 8,-2.8 8,-2.7 -2,-0.3 2,-0.7 -0.911 7.9-145.4-112.9 132.6 44.2 104.6 29.9 58 57 A V E -BC 4 64A 28 -54,-3.0 -54,-1.3 -2,-0.4 6,-0.2 -0.865 22.6-152.6 -94.3 117.9 46.5 107.5 29.2 59 58 A L > - 0 0 3 4,-2.9 3,-1.2 -2,-0.7 -55,-0.1 -0.167 31.5 -95.6 -81.4 179.5 46.6 108.2 25.5 60 59 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.838 122.1 60.1 -67.7 -32.0 49.5 109.8 23.6 61 60 A D T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.454 120.8-107.1 -75.9 1.9 48.0 113.3 23.8 62 61 A G S < S+ 0 0 57 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.301 79.6 130.0 92.8 -9.3 48.0 113.0 27.6 63 62 A S - 0 0 32 -5,-0.1 -4,-2.9 1,-0.1 2,-0.4 -0.265 53.9-119.7 -80.2 167.5 44.3 112.6 27.8 64 63 A L E -C 58 0A 42 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.863 14.8-161.5-112.8 139.1 42.4 109.9 29.7 65 64 A L E -C 57 0A 0 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.2 -0.984 14.9-175.8-116.9 125.8 40.1 107.2 28.5 66 65 A T E +C 56 0A 10 -2,-0.5 4,-0.2 -10,-0.2 -10,-0.2 -0.677 44.6 62.3-112.6 172.4 37.8 105.5 31.0 67 66 A E S >> S- 0 0 15 -12,-0.6 4,-2.3 -2,-0.2 3,-1.0 0.815 71.0-126.1 73.0 109.6 35.3 102.6 30.7 68 67 A G H 3> S+ 0 0 12 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.867 109.0 59.4 -50.1 -43.8 36.8 99.3 29.7 69 68 A V H 3> S+ 0 0 6 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.876 110.2 42.3 -55.0 -40.9 34.4 98.9 26.7 70 69 A A H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.899 113.7 52.7 -73.7 -40.4 35.7 102.2 25.3 71 70 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.936 108.6 47.5 -62.0 -48.2 39.3 101.4 26.0 72 71 A V H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.843 112.9 49.1 -66.8 -30.7 39.3 98.0 24.3 73 72 A Q H X S+ 0 0 2 -4,-1.1 4,-2.7 -5,-0.3 -1,-0.2 0.925 110.2 51.3 -72.9 -40.6 37.6 99.3 21.2 74 73 A Y H X S+ 0 0 25 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.934 113.4 45.1 -58.0 -48.6 40.1 102.2 21.0 75 74 A L H >X S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.6 0.929 112.9 49.4 -63.8 -48.6 43.0 99.8 21.2 76 75 A A H >< S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.2 8,-0.3 0.903 108.4 53.6 -56.4 -43.7 41.6 97.3 18.7 77 76 A D H 3< S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.729 100.8 63.3 -64.9 -20.6 40.9 100.0 16.2 78 77 A K H << S+ 0 0 94 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.735 108.6 38.7 -76.4 -21.8 44.5 101.1 16.5 79 78 A V X< + 0 0 22 -3,-1.3 3,-2.4 -4,-0.6 4,-0.5 -0.512 60.7 164.9-130.5 65.6 45.8 97.8 15.1 80 79 A P G > S+ 0 0 94 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.789 74.5 67.4 -54.4 -30.8 43.6 96.6 12.2 81 80 A D G 3 S+ 0 0 145 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.723 97.2 54.7 -58.6 -24.5 46.2 94.1 11.1 82 81 A R G < S- 0 0 127 -3,-2.4 -1,-0.3 -6,-0.2 -6,-0.0 0.577 96.6-145.9 -88.2 -12.8 45.6 92.2 14.4 83 82 A H < + 0 0 126 -3,-1.4 3,-0.1 -4,-0.5 -2,-0.1 0.888 42.0 152.7 51.2 51.3 41.9 91.9 13.7 84 83 A L + 0 0 3 -5,-0.4 71,-2.6 -8,-0.3 72,-0.3 0.495 69.3 10.5 -92.4 -6.0 40.9 92.2 17.3 85 84 A I S S- 0 0 22 -9,-0.2 -1,-0.2 69,-0.2 8,-0.1 -0.943 89.1 -93.9-163.7 151.4 37.5 93.6 16.4 86 85 A A - 0 0 26 -2,-0.3 3,-0.1 6,-0.2 -9,-0.0 -0.387 54.7 -96.3 -65.7 148.2 35.4 94.1 13.3 87 86 A P > - 0 0 87 0, 0.0 3,-1.4 0, 0.0 6,-0.4 -0.263 50.6 -83.2 -69.4 154.3 35.9 97.5 11.6 88 87 A S T 3 S+ 0 0 54 1,-0.2 3,-0.1 5,-0.1 4,-0.1 -0.148 110.5 27.8 -60.3 146.8 33.4 100.3 12.3 89 88 A G T 3 S+ 0 0 50 1,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.262 92.7 116.1 89.8 -11.5 30.1 100.5 10.4 90 89 A T S <> S- 0 0 51 -3,-1.4 4,-1.7 1,-0.1 3,-0.4 -0.624 74.7-122.1 -92.0 152.4 29.9 96.7 9.8 91 90 A L H > S+ 0 0 62 1,-0.3 4,-1.8 -2,-0.2 5,-0.2 0.877 114.6 57.5 -57.0 -40.6 27.2 94.4 11.2 92 91 A S H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.897 102.4 54.8 -57.9 -39.4 29.9 92.4 12.9 93 92 A R H > S+ 0 0 10 -3,-0.4 4,-2.6 -6,-0.4 -1,-0.2 0.928 106.3 51.0 -61.6 -41.6 31.1 95.5 14.7 94 93 A Y H X S+ 0 0 9 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.863 108.9 51.3 -65.7 -32.4 27.6 96.1 16.1 95 94 A H H X S+ 0 0 61 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.836 109.3 50.5 -70.2 -32.4 27.5 92.5 17.4 96 95 A A H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.934 111.5 47.7 -67.4 -44.3 30.8 93.0 19.1 97 96 A I H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.905 110.5 53.7 -61.0 -41.2 29.4 96.2 20.7 98 97 A E H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.946 112.0 42.9 -57.1 -52.8 26.3 94.2 21.7 99 98 A W H X S+ 0 0 26 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.904 111.7 54.5 -63.1 -40.3 28.4 91.5 23.4 100 99 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.913 110.8 46.5 -60.5 -41.1 30.7 94.1 25.0 101 100 A N H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.874 110.4 52.3 -68.2 -38.2 27.6 95.8 26.5 102 101 A F H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-1.0 0.918 112.2 46.3 -62.0 -44.2 26.1 92.4 27.6 103 102 A I H X>S+ 0 0 0 -4,-2.8 5,-2.8 3,-0.2 4,-0.9 0.946 115.9 45.2 -65.0 -45.4 29.4 91.7 29.4 104 103 A A H <>S+ 0 0 1 -4,-2.6 5,-1.6 -5,-0.2 -2,-0.2 0.919 125.4 29.1 -63.4 -43.9 29.6 95.1 31.0 105 104 A T H <5S+ 0 0 8 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.2 0.809 130.3 30.5 -91.9 -34.3 26.0 95.4 32.2 106 105 A E H <5S+ 0 0 11 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.786 132.0 22.5 -99.6 -32.5 24.9 91.8 32.8 107 106 A L T X>X S+ 0 0 51 -4,-0.7 4,-0.8 -3,-0.3 3,-0.7 0.868 90.7 46.5 -46.1 -51.0 29.3 94.2 42.2 113 112 A P H 34 S+ 0 0 14 0, 0.0 3,-0.5 0, 0.0 6,-0.3 0.849 107.3 59.9 -62.9 -31.7 26.8 93.2 44.9 114 113 A L H <4 S+ 0 0 16 -3,-0.8 -2,-0.2 -4,-0.5 -3,-0.1 0.770 109.0 42.1 -66.0 -28.6 28.5 89.8 45.5 115 114 A F H << S+ 0 0 113 -4,-1.2 -1,-0.2 -3,-0.7 -3,-0.1 0.545 98.4 89.4 -95.4 -7.9 31.8 91.5 46.5 116 115 A N >< - 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0 0 69 -3,-1.7 4,-2.5 -4,-0.5 3,-0.3 -0.338 68.9-138.1 -60.2 126.5 12.2 117.9 20.9 394 190 B P H > S+ 0 0 105 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.863 104.0 54.0 -55.6 -37.2 9.4 116.9 18.6 395 191 B A H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.892 109.2 48.4 -64.2 -39.0 11.0 113.4 18.1 396 192 B V H > S+ 0 0 0 -3,-0.3 4,-2.4 -6,-0.2 -1,-0.2 0.945 112.7 47.4 -64.6 -46.1 11.0 112.9 21.8 397 193 B K H X S+ 0 0 123 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.882 110.6 52.1 -62.5 -40.5 7.4 114.0 22.2 398 194 B A H X S+ 0 0 40 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.887 109.1 50.9 -63.1 -39.5 6.4 111.7 19.3 399 195 B A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.949 111.6 46.5 -62.9 -49.7 8.1 108.8 21.0 400 196 B L H <>S+ 0 0 28 -4,-2.4 5,-2.4 2,-0.2 3,-0.2 0.897 112.7 50.1 -60.8 -42.4 6.4 109.4 24.3 401 197 B A H ><5S+ 0 0 64 -4,-2.5 3,-3.0 1,-0.2 -1,-0.2 0.960 107.6 53.0 -61.0 -49.9 3.0 109.8 22.6 402 198 B A H 3<5S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 108.6 50.6 -58.6 -26.4 3.4 106.6 20.7 403 199 B E T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.315 118.6-116.7 -91.1 8.2 4.1 104.8 24.0 404 200 B D T < 5 0 0 124 -3,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.903 360.0 360.0 57.2 48.6 0.9 106.4 25.4 405 201 B I < 0 0 94 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.762 360.0 360.0-100.7 360.0 2.8 108.4 28.0