==== 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 LYASE 03-AUG-12 4GFS . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.H.LIGHT,G.MINASOV,S.N.KRISHNA,L.SHUVALOVA,K.KWON,A.LAVIE, . 500 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 4 0 0 0 0 0 0 2 0 6 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 6 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 K 0 0 155 0, 0.0 2,-0.2 0, 0.0 195,-0.0 0.000 360.0 360.0 360.0 144.2 -2.1 0.6 36.4 2 3 A T - 0 0 66 195,-0.1 2,-0.4 196,-0.0 9,-0.2 -0.680 360.0-130.0-119.6 172.6 -3.9 -2.4 34.8 3 4 A V E -A 10 0A 14 7,-3.6 7,-3.9 -2,-0.2 2,-0.6 -0.996 12.7-155.5-132.7 126.5 -7.4 -3.7 35.1 4 5 A T E +A 9 0A 90 -2,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.911 14.2 178.1-106.6 118.9 -8.1 -7.4 35.8 5 6 A V E > -A 8 0A 6 3,-2.7 3,-3.3 -2,-0.6 106,-0.1 -0.979 68.8 -34.0-121.1 135.4 -11.5 -8.7 34.7 6 7 A R T 3 S- 0 0 58 -2,-0.4 68,-0.1 1,-0.3 67,-0.0 -0.432 127.6 -37.8 48.1-119.3 -12.4 -12.3 35.2 7 8 A D T 3 S+ 0 0 158 66,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.259 115.0 109.3-114.8 14.8 -8.8 -13.6 34.6 8 9 A L E < -A 5 0A 27 -3,-3.3 -3,-2.7 34,-0.1 2,-0.8 -0.774 58.8-146.2 -95.9 129.9 -7.8 -11.2 31.9 9 10 A V E > -A 4 0A 48 -2,-0.4 3,-0.7 -5,-0.2 2,-0.4 -0.845 13.7-163.0 -99.4 103.9 -5.3 -8.5 32.7 10 11 A V E 3 +A 3 0A 1 -7,-3.9 -7,-3.6 -2,-0.8 3,-0.1 -0.750 68.6 42.8 -87.3 133.1 -6.0 -5.3 30.7 11 12 A G T 3 S+ 0 0 39 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.286 95.8 79.3 118.4 -9.0 -3.2 -2.8 30.5 12 13 A E S < S- 0 0 124 -3,-0.7 -1,-0.3 2,-0.2 -3,-0.1 -0.938 86.1 -6.6-130.3 154.3 -0.1 -5.0 29.8 13 14 A G S S+ 0 0 47 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.227 110.7 3.5 65.9-154.1 1.4 -6.7 26.8 14 15 A A S S- 0 0 27 1,-0.1 -3,-0.2 232,-0.0 -2,-0.2 -0.195 90.1 -89.0 -61.2 151.2 -0.5 -6.8 23.5 15 16 A P - 0 0 8 0, 0.0 207,-0.3 0, 0.0 2,-0.2 -0.309 47.7-118.0 -58.0 145.3 -3.8 -4.9 23.0 16 17 A K E -b 222 0B 25 205,-2.2 207,-2.5 -3,-0.1 2,-0.5 -0.608 20.8-123.1 -93.8 151.1 -6.8 -7.0 23.9 17 18 A I E -b 223 0B 0 205,-0.2 25,-2.4 -2,-0.2 26,-2.4 -0.863 21.9-168.8 -98.5 122.1 -9.5 -8.0 21.4 18 19 A I E -bc 224 43B 0 205,-2.7 207,-2.9 -2,-0.5 2,-0.4 -0.880 4.5-172.9-105.5 134.1 -13.1 -7.1 22.1 19 20 A V E - c 0 44B 0 24,-2.1 26,-3.6 -2,-0.4 2,-0.5 -0.955 16.0-134.0-123.9 149.8 -15.9 -8.6 19.8 20 21 A S E - c 0 45B 5 205,-0.5 2,-0.5 -2,-0.4 207,-0.2 -0.905 4.2-148.5-111.0 132.8 -19.5 -7.7 19.9 21 22 A L E - c 0 46B 1 24,-3.5 26,-2.7 -2,-0.5 2,-0.5 -0.845 13.9-172.5 -93.5 127.0 -22.5 -10.0 19.9 22 23 A M + 0 0 23 -2,-0.5 2,-0.4 24,-0.2 26,-0.1 -0.984 14.4 160.7-122.7 117.3 -25.6 -8.6 18.3 23 24 A G - 0 0 1 -2,-0.5 29,-0.1 24,-0.4 3,-0.1 -0.999 28.3-163.1-138.9 130.8 -28.8 -10.6 18.6 24 25 A K S S+ 0 0 126 -2,-0.4 28,-1.8 27,-0.2 29,-0.5 0.942 81.6 22.8 -75.1 -53.3 -32.4 -9.5 18.2 25 26 A T S > S- 0 0 72 26,-0.2 4,-2.3 27,-0.1 5,-0.1 -0.578 87.0-106.5-108.5 167.9 -34.0 -12.4 20.0 26 27 A I H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 123.1 57.0 -60.8 -36.5 -32.7 -14.8 22.6 27 28 A T H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 109.8 45.3 -60.1 -39.2 -32.6 -17.4 19.8 28 29 A D H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.892 111.0 52.3 -70.4 -41.9 -30.3 -15.1 17.9 29 30 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.952 111.5 46.0 -61.0 -51.0 -28.2 -14.3 20.9 30 31 A K H X S+ 0 0 101 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.854 114.0 49.4 -58.0 -40.2 -27.6 -18.0 21.7 31 32 A S H X S+ 0 0 72 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.906 112.4 46.0 -70.5 -40.8 -26.9 -18.8 18.0 32 33 A E H X S+ 0 0 39 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.932 111.8 53.5 -66.8 -41.3 -24.4 -16.0 17.6 33 34 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.886 107.0 51.1 -60.7 -34.9 -22.8 -17.0 21.0 34 35 A L H < S+ 0 0 117 -4,-1.8 4,-0.5 1,-0.2 3,-0.2 0.949 110.4 49.4 -69.0 -41.0 -22.3 -20.6 19.8 35 36 A A H < S+ 0 0 54 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.795 113.8 46.7 -65.3 -27.7 -20.7 -19.2 16.6 36 37 A Y H >< S+ 0 0 4 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.759 85.6 93.1 -84.9 -27.0 -18.4 -17.0 18.8 37 38 A R T 3< S+ 0 0 153 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.780 94.9 33.2 -37.2 -46.2 -17.4 -19.7 21.3 38 39 A E T 3 S+ 0 0 176 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.673 90.4 114.0 -94.2 -18.4 -14.2 -20.8 19.5 39 40 A A S < S- 0 0 29 -3,-1.2 2,-1.1 -4,-0.3 188,-0.0 -0.062 74.7-111.2 -50.4 153.6 -13.1 -17.4 18.0 40 41 A D + 0 0 81 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.679 67.3 121.7 -97.9 89.8 -9.9 -15.9 19.3 41 42 A F - 0 0 0 -2,-1.1 -23,-0.1 1,-0.1 3,-0.1 -0.874 53.3-141.2-138.4 173.7 -10.8 -12.8 21.3 42 43 A D S S+ 0 0 26 -25,-2.4 2,-0.4 1,-0.3 -24,-0.2 0.763 81.5 31.3-111.1 -35.4 -10.4 -11.6 24.9 43 44 A I E -c 18 0B 2 -26,-2.4 -24,-2.1 31,-0.2 2,-0.7 -0.993 64.7-145.0-132.7 133.4 -13.6 -9.9 25.9 44 45 A L E -cd 19 76B 2 31,-2.7 33,-3.0 -2,-0.4 2,-0.5 -0.872 14.7-163.5 -98.4 112.1 -17.1 -10.5 24.7 45 46 A E E -cd 20 77B 2 -26,-3.6 -24,-3.5 -2,-0.7 2,-0.7 -0.877 7.2-151.8 -92.4 126.3 -19.3 -7.4 24.4 46 47 A W E -cd 21 78B 0 31,-3.3 33,-2.3 -2,-0.5 2,-1.5 -0.881 8.9-147.3 -95.6 113.4 -23.0 -7.9 24.2 47 48 A R E > - d 0 79B 14 -26,-2.7 3,-1.4 -2,-0.7 -24,-0.4 -0.664 19.8-179.6 -82.1 90.7 -24.5 -5.1 22.3 48 49 A V G > S+ 0 0 0 31,-1.8 3,-1.3 -2,-1.5 32,-0.2 0.701 70.5 72.6 -68.3 -21.4 -27.9 -4.9 24.1 49 50 A D G 3 S+ 0 0 2 30,-0.8 -1,-0.3 1,-0.3 31,-0.1 0.719 94.2 57.1 -67.2 -17.7 -29.2 -2.0 22.0 50 51 A H G < S+ 0 0 46 -3,-1.4 2,-0.5 -29,-0.2 -1,-0.3 0.637 87.7 99.8 -82.1 -15.5 -29.6 -4.6 19.2 51 52 A F X - 0 0 5 -3,-1.3 3,-1.0 -4,-0.3 -27,-0.2 -0.655 66.9-147.4 -82.4 118.5 -31.8 -6.7 21.5 52 53 A A T 3 S+ 0 0 46 -28,-1.8 2,-0.6 -2,-0.5 3,-0.4 0.843 92.1 45.0 -48.6 -53.4 -35.6 -6.4 20.9 53 54 A N T > + 0 0 83 -29,-0.5 3,-1.1 1,-0.2 7,-0.5 -0.258 67.9 130.2 -95.8 47.7 -36.9 -6.9 24.5 54 55 A V T < S+ 0 0 8 -3,-1.0 -1,-0.2 -2,-0.6 -2,-0.1 0.825 72.4 56.4 -67.1 -31.7 -34.4 -4.7 26.2 55 56 A T T 3 S+ 0 0 104 -3,-0.4 2,-0.7 1,-0.1 -1,-0.3 0.514 92.9 79.2 -78.6 -7.1 -37.3 -3.0 28.0 56 57 A T <> - 0 0 60 -3,-1.1 4,-1.9 1,-0.1 3,-0.4 -0.913 69.2-159.7-102.7 110.0 -38.4 -6.4 29.5 57 58 A A H > S+ 0 0 72 -2,-0.7 4,-1.7 1,-0.2 -1,-0.1 0.742 87.2 52.6 -64.3 -29.3 -36.0 -7.1 32.4 58 59 A E H > S+ 0 0 158 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.852 109.3 50.1 -75.5 -32.2 -36.7 -10.9 32.5 59 60 A S H > S+ 0 0 25 -3,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.964 111.9 47.2 -67.4 -51.5 -35.8 -11.3 28.8 60 61 A V H X S+ 0 0 10 -4,-1.9 4,-2.6 -7,-0.5 5,-0.2 0.916 112.8 49.9 -54.2 -46.2 -32.6 -9.4 29.2 61 62 A L H X S+ 0 0 86 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.845 111.2 48.6 -64.5 -36.0 -31.7 -11.4 32.3 62 63 A E H X S+ 0 0 113 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.943 110.5 51.4 -68.8 -48.1 -32.3 -14.7 30.5 63 64 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 3,-0.3 0.935 108.2 50.2 -52.5 -53.2 -30.3 -13.6 27.5 64 65 A A H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.903 111.3 51.7 -53.3 -41.4 -27.3 -12.7 29.6 65 66 A G H X S+ 0 0 11 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.846 107.4 50.3 -64.9 -38.0 -27.6 -16.1 31.2 66 67 A A H X S+ 0 0 4 -4,-2.1 4,-1.2 -3,-0.3 3,-0.4 0.904 111.2 49.3 -67.1 -41.5 -27.7 -18.0 27.9 67 68 A I H >X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 3,-0.8 0.950 109.7 52.2 -60.8 -47.8 -24.6 -16.1 26.7 68 69 A R H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.693 107.5 52.3 -63.3 -23.3 -22.8 -17.0 30.0 69 70 A E H 3< S+ 0 0 153 -4,-0.9 -1,-0.3 -3,-0.4 3,-0.2 0.757 117.1 37.5 -85.7 -23.4 -23.7 -20.7 29.6 70 71 A I H << S+ 0 0 41 -4,-1.2 2,-0.7 -3,-0.8 -2,-0.2 0.856 123.2 39.8 -91.3 -44.4 -22.2 -20.8 26.1 71 72 A I < + 0 0 5 -4,-3.2 -1,-0.3 -5,-0.2 3,-0.2 -0.893 69.3 154.7-109.9 96.3 -19.2 -18.5 26.6 72 73 A T + 0 0 88 -2,-0.7 -1,-0.1 -3,-0.2 -4,-0.1 0.578 62.8 51.8-100.8 -15.7 -17.9 -19.4 30.1 73 74 A D S S+ 0 0 108 2,-0.1 -1,-0.1 -67,-0.0 -66,-0.1 0.063 93.8 78.3-114.1 20.6 -14.2 -18.4 30.0 74 75 A K S S- 0 0 42 -3,-0.2 -31,-0.2 -6,-0.1 -68,-0.1 -0.985 83.2-107.8-130.0 142.4 -14.4 -14.8 28.7 75 76 A P - 0 0 5 0, 0.0 -31,-2.7 0, 0.0 2,-0.5 -0.433 35.3-137.6 -64.9 143.3 -15.2 -11.6 30.5 76 77 A L E -d 44 0B 4 -33,-0.2 34,-2.3 32,-0.1 35,-1.7 -0.953 12.1-158.8-112.2 121.9 -18.6 -10.4 29.4 77 78 A L E -de 45 111B 0 -33,-3.0 -31,-3.3 -2,-0.5 2,-0.6 -0.919 8.3-148.1-100.2 119.8 -19.1 -6.7 28.8 78 79 A F E +de 46 112B 2 33,-3.1 35,-2.3 -2,-0.5 2,-0.4 -0.810 23.9 175.8 -93.3 119.7 -22.7 -5.3 28.9 79 80 A T E -d 47 0B 0 -33,-2.3 -31,-1.8 -2,-0.6 -30,-0.8 -0.909 23.6-176.3-135.2 111.9 -23.2 -2.5 26.5 80 81 A F - 0 0 2 -2,-0.4 2,-0.7 33,-0.4 -33,-0.1 -0.898 20.7-157.8 -95.7 109.4 -26.3 -0.5 25.6 81 82 A R - 0 0 8 -2,-0.8 8,-0.7 5,-0.1 7,-0.3 -0.797 13.9-135.4 -90.5 111.8 -25.2 1.9 22.8 82 83 A S > > - 0 0 15 -2,-0.7 5,-2.1 1,-0.1 3,-0.6 -0.208 15.1-123.4 -61.8 149.6 -27.7 4.9 22.6 83 84 A A G > 5S+ 0 0 48 6,-0.4 3,-1.6 1,-0.2 -1,-0.1 0.852 112.9 70.4 -62.6 -28.6 -28.9 6.2 19.2 84 85 A K G 3 5S+ 0 0 132 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.937 107.2 35.4 -49.1 -48.0 -27.4 9.4 20.4 85 86 A E G < 5S- 0 0 11 -3,-0.6 -1,-0.3 58,-0.1 -2,-0.2 -0.232 137.2 -72.3-107.5 44.5 -24.0 7.8 19.9 86 87 A G T < 5S+ 0 0 37 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.656 88.1 137.0 82.4 19.7 -24.5 5.6 16.9 87 88 A G < - 0 0 15 -5,-2.1 -1,-0.2 -7,-0.1 -5,-0.1 -0.335 65.1-107.2 -92.9 177.2 -26.7 2.8 18.4 88 89 A E S S+ 0 0 120 -7,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.614 91.4 7.5 -81.3 -15.8 -29.8 1.0 17.1 89 90 A Q - 0 0 59 -8,-0.7 -6,-0.4 2,-0.0 2,-0.2 -0.957 65.3-115.1-168.8 155.0 -32.3 2.7 19.5 90 91 A A + 0 0 74 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.0 -0.564 23.0 179.5 -96.7 148.0 -33.0 5.3 22.1 91 92 A L - 0 0 37 -2,-0.2 -8,-0.0 -36,-0.0 -2,-0.0 -0.983 36.9 -98.7-137.7 150.2 -34.1 4.9 25.8 92 93 A T > - 0 0 84 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.169 39.7-107.6 -62.9 160.4 -34.8 7.6 28.4 93 94 A T H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.940 120.6 52.6 -54.1 -49.3 -31.9 8.3 30.8 94 95 A G H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 109.5 47.1 -55.8 -43.5 -33.8 6.5 33.6 95 96 A Q H > S+ 0 0 79 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.942 110.8 54.0 -65.1 -45.2 -34.3 3.3 31.5 96 97 A Y H X S+ 0 0 10 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.910 112.2 42.4 -56.5 -46.4 -30.6 3.4 30.5 97 98 A I H X S+ 0 0 17 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.902 114.6 50.7 -68.5 -41.1 -29.4 3.6 34.1 98 99 A D H X S+ 0 0 100 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.928 107.6 53.3 -65.3 -42.0 -31.9 1.0 35.3 99 100 A L H X S+ 0 0 17 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.946 112.5 44.4 -54.2 -49.6 -30.9 -1.4 32.5 100 101 A N H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.881 112.2 52.8 -64.7 -38.6 -27.2 -1.1 33.6 101 102 A R H X S+ 0 0 85 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.901 109.3 49.1 -61.8 -40.3 -28.2 -1.4 37.3 102 103 A A H X S+ 0 0 46 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.883 108.9 53.2 -67.5 -37.5 -30.1 -4.7 36.5 103 104 A A H < S+ 0 0 6 -4,-2.2 6,-0.5 -5,-0.2 4,-0.5 0.887 109.1 49.4 -63.6 -40.2 -27.1 -6.0 34.6 104 105 A V H >< S+ 0 0 3 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.945 111.2 49.4 -62.1 -49.3 -24.9 -5.3 37.6 105 106 A D H 3< S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.853 94.4 74.2 -56.3 -38.8 -27.4 -7.1 39.9 106 107 A S T 3< S- 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.732 88.6-143.2 -50.8 -28.1 -27.6 -10.2 37.6 107 108 A G S < S+ 0 0 56 -3,-1.2 -1,-0.2 -4,-0.5 -3,-0.1 0.577 77.9 99.7 71.1 8.8 -24.1 -11.3 38.8 108 109 A L + 0 0 43 -5,-0.5 2,-0.3 2,-0.0 -4,-0.1 0.554 66.2 68.3-102.9 -11.7 -23.6 -12.5 35.1 109 110 A V - 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