==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-AUG-10 3OEX . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR G.MINASOV,S.H.LIGHT,L.SHUVALOVA,L.PAPAZISI,W.F.ANDERSON,CENT . 1006 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 757 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 162 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 73 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 8 0 0 0 0 0 0 4 0 12 8 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 4 1 15 5 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 PARALLEL BRIDGES PER LADDER . 0 0 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 . 4 0 0 0 0 0 4 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 0 194 0, 0.0 2,-0.2 0, 0.0 195,-0.0 0.000 360.0 360.0 360.0 171.7 16.3 -3.0 21.2 2 3 A T - 0 0 60 195,-0.1 2,-0.4 196,-0.0 9,-0.2 -0.464 360.0-131.3-106.0 172.9 16.4 0.3 23.0 3 4 A V E -A 10 0A 18 7,-2.4 7,-3.5 -2,-0.2 2,-0.6 -0.993 18.9-160.0-127.8 121.3 14.9 1.6 26.2 4 5 A T E -A 9 0A 81 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.907 10.8-179.6-106.5 123.0 13.1 4.9 26.1 5 6 A V E > S-A 8 0A 9 3,-2.5 3,-2.0 -2,-0.6 2,-0.3 -0.977 71.4 -43.1-121.6 112.8 12.6 6.9 29.3 6 7 A R T 3 S- 0 0 82 -2,-0.5 68,-0.1 1,-0.3 67,-0.0 -0.513 124.2 -28.3 62.5-125.2 10.7 10.1 28.6 7 8 A D T 3 S+ 0 0 161 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.463 115.9 106.4 -97.5 0.1 12.3 11.4 25.4 8 9 A L E < -A 5 0A 27 -3,-2.0 -3,-2.5 34,-0.1 2,-0.7 -0.661 56.9-156.4 -84.1 126.4 15.7 9.8 26.2 9 10 A V E > -A 4 0A 33 -2,-0.5 3,-0.7 -5,-0.2 2,-0.4 -0.881 6.8-159.0-107.0 109.6 16.5 6.8 24.0 10 11 A V E 3 S+A 3 0A 0 -7,-3.5 -7,-2.4 -2,-0.7 3,-0.1 -0.749 74.7 34.6 -90.4 130.0 19.0 4.5 25.7 11 12 A G T 3 S+ 0 0 43 -2,-0.4 2,-0.4 210,-0.4 -1,-0.2 0.304 98.3 95.6 109.9 -2.6 20.9 2.1 23.3 12 13 A E S < S- 0 0 120 -3,-0.7 -1,-0.4 2,-0.2 -3,-0.1 -0.927 85.2 -24.7-122.0 140.5 21.1 4.5 20.4 13 14 A G S S+ 0 0 46 -2,-0.4 3,-0.1 -3,-0.1 -2,-0.1 -0.216 112.9 7.7 65.0-145.3 23.9 6.9 19.4 14 15 A A S S- 0 0 26 1,-0.1 -2,-0.2 232,-0.0 -3,-0.2 -0.410 92.8 -91.3 -71.4 145.7 26.4 8.2 22.0 15 16 A P - 0 0 7 0, 0.0 207,-0.3 0, 0.0 2,-0.2 -0.228 44.3-115.4 -56.8 147.4 26.3 6.7 25.5 16 17 A K E -b 222 0B 28 205,-2.1 207,-2.8 -3,-0.1 2,-0.5 -0.589 22.9-124.1 -89.2 148.3 24.1 8.5 27.9 17 18 A I E -b 223 0B 0 -2,-0.2 25,-2.6 205,-0.2 26,-2.2 -0.810 23.1-171.8 -98.7 125.2 25.5 10.2 31.0 18 19 A I E -bc 224 43B 0 205,-2.5 207,-2.3 -2,-0.5 2,-0.3 -0.907 2.9-170.2-111.5 140.1 24.2 9.4 34.4 19 20 A V E -bc 225 44B 0 24,-1.9 26,-3.1 -2,-0.4 2,-0.4 -0.972 17.8-128.7-127.9 147.6 25.2 11.4 37.5 20 21 A S E - c 0 45B 3 205,-0.5 2,-0.5 -2,-0.3 207,-0.3 -0.816 10.9-151.7-100.3 133.7 24.5 10.5 41.2 21 22 A L E - c 0 46B 0 24,-3.1 26,-2.4 -2,-0.4 2,-0.4 -0.899 15.4-172.3-103.9 128.3 22.9 13.0 43.7 22 23 A M + 0 0 9 -2,-0.5 2,-0.3 24,-0.2 26,-0.1 -0.986 16.3 147.4-127.2 123.0 23.9 12.4 47.3 23 24 A G - 0 0 5 24,-0.4 -2,-0.0 -2,-0.4 6,-0.0 -0.983 35.5-152.7-157.0 140.3 22.4 14.3 50.3 24 25 A K S S+ 0 0 67 -2,-0.3 28,-2.6 27,-0.2 29,-0.4 0.829 81.5 29.1 -83.3 -36.6 21.6 13.4 53.9 25 26 A T S > S- 0 0 39 26,-0.2 4,-2.6 27,-0.1 5,-0.2 -0.698 86.9-102.8-117.7 173.3 18.7 15.7 54.5 26 27 A I H > S+ 0 0 38 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 123.7 51.2 -61.7 -41.3 15.9 17.2 52.5 27 28 A T H > S+ 0 0 107 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 110.3 48.4 -65.1 -41.5 17.8 20.6 52.5 28 29 A D H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 111.1 51.8 -61.8 -42.6 21.0 18.8 51.3 29 30 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.938 111.9 45.6 -62.4 -44.2 18.9 17.1 48.6 30 31 A K H X S+ 0 0 85 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.922 111.6 52.3 -63.6 -43.8 17.5 20.4 47.4 31 32 A S H X S+ 0 0 68 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.941 112.9 44.1 -57.9 -48.4 20.8 22.1 47.5 32 33 A E H X S+ 0 0 41 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.930 111.8 52.1 -63.7 -45.1 22.4 19.4 45.3 33 34 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.913 110.1 49.4 -59.9 -42.1 19.5 19.2 42.9 34 35 A L H >< S+ 0 0 88 -4,-2.5 3,-0.5 1,-0.2 4,-0.4 0.921 111.4 49.6 -62.0 -41.1 19.7 23.0 42.4 35 36 A A H >< S+ 0 0 60 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.841 108.5 53.3 -66.7 -33.7 23.4 22.7 41.8 36 37 A Y H >< S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.706 83.6 89.9 -75.4 -19.3 22.9 20.0 39.3 37 38 A R T << S+ 0 0 133 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.834 93.3 40.4 -45.2 -40.7 20.4 22.1 37.2 38 39 A E T < S+ 0 0 175 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.646 92.5 105.4 -85.7 -17.1 23.2 23.5 35.1 39 40 A A S < S- 0 0 21 -3,-1.2 2,-1.0 -4,-0.3 188,-0.1 -0.277 74.6-120.1 -66.3 150.1 25.3 20.3 34.7 40 41 A D + 0 0 81 187,-0.0 2,-0.3 2,-0.0 202,-0.2 -0.773 60.6 124.2 -97.1 95.8 25.2 18.4 31.3 41 42 A F - 0 0 2 -2,-1.0 -23,-0.2 -5,-0.1 3,-0.1 -0.926 51.1-143.7-142.8 169.3 23.8 14.9 32.0 42 43 A D S S+ 0 0 27 -25,-2.6 2,-0.4 -2,-0.3 -24,-0.2 0.759 82.1 32.3-106.6 -36.4 21.0 12.7 30.8 43 44 A I E -c 18 0B 2 -26,-2.2 -24,-1.9 31,-0.2 2,-0.7 -0.991 65.9-145.1-130.3 133.3 19.8 10.7 33.8 44 45 A L E -cd 19 76B 1 31,-2.6 33,-3.0 -2,-0.4 2,-0.5 -0.899 14.0-162.4 -99.4 114.2 19.7 11.8 37.4 45 46 A E E -cd 20 77B 2 -26,-3.1 -24,-3.1 -2,-0.7 2,-0.7 -0.874 6.9-151.5 -92.6 123.0 20.4 8.9 39.8 46 47 A W E -cd 21 78B 0 31,-3.0 33,-2.4 -2,-0.5 2,-1.6 -0.907 7.7-146.6 -93.9 114.4 19.3 9.6 43.4 47 48 A R E > - d 0 79B 18 -26,-2.4 3,-1.6 -2,-0.7 -24,-0.4 -0.699 20.0-177.6 -80.2 86.7 21.6 7.6 45.8 48 49 A V G > S+ 0 0 0 31,-1.8 3,-1.5 -2,-1.6 32,-0.2 0.765 71.6 71.6 -58.8 -30.9 18.9 7.0 48.4 49 50 A D G 3 S+ 0 0 0 30,-0.8 -1,-0.3 1,-0.3 5,-0.1 0.711 90.1 60.7 -63.9 -20.1 21.3 5.2 50.7 50 51 A H G < S+ 0 0 27 -3,-1.6 -1,-0.3 -29,-0.2 2,-0.2 0.712 82.8 100.8 -75.5 -20.0 23.0 8.5 51.5 51 52 A F S X S- 0 0 3 -3,-1.5 3,-0.5 -4,-0.3 -27,-0.2 -0.486 71.7-141.3 -70.3 133.0 19.7 9.9 52.9 52 53 A A T 3 S+ 0 0 15 -28,-2.6 2,-0.3 1,-0.2 3,-0.2 0.774 90.4 41.7 -71.5 -28.5 19.7 9.8 56.7 53 54 A N T > + 0 0 29 -29,-0.4 3,-1.0 1,-0.2 7,-0.3 -0.493 61.5 144.5-122.3 66.1 16.1 8.8 57.3 54 55 A V T < S+ 0 0 7 -3,-0.5 -1,-0.2 -2,-0.3 6,-0.1 0.740 70.5 61.6 -75.8 -21.8 15.3 6.1 54.7 55 56 A T T 3 S+ 0 0 101 -3,-0.2 2,-0.9 1,-0.1 -1,-0.2 0.528 85.1 83.3 -83.2 -3.4 13.0 4.1 57.0 56 57 A T X> - 0 0 47 -3,-1.0 4,-1.8 1,-0.2 3,-0.6 -0.850 67.0-164.4 -98.8 98.1 10.7 7.2 57.4 57 58 A A H 3> S+ 0 0 56 -2,-0.9 4,-2.0 1,-0.3 5,-0.2 0.825 85.6 56.4 -55.3 -37.9 8.5 6.7 54.2 58 59 A E H 3> S+ 0 0 156 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.926 108.4 48.1 -59.4 -44.5 7.1 10.2 54.4 59 60 A S H <> S+ 0 0 29 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.898 110.1 50.0 -64.3 -46.8 10.7 11.7 54.3 60 61 A V H X S+ 0 0 3 -4,-1.8 4,-2.4 -7,-0.3 -1,-0.2 0.933 112.9 45.6 -59.9 -48.2 11.9 9.6 51.4 61 62 A L H X S+ 0 0 54 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.828 111.0 53.7 -71.6 -25.9 8.9 10.5 49.1 62 63 A E H X S+ 0 0 110 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.925 109.8 48.3 -68.7 -42.1 9.2 14.2 50.1 63 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 111.7 49.2 -61.9 -47.3 12.9 14.1 49.0 64 65 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.919 112.3 48.4 -57.1 -46.0 12.0 12.4 45.7 65 66 A G H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.930 108.7 54.1 -60.5 -44.9 9.2 15.0 45.1 66 67 A A H X S+ 0 0 5 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.911 110.7 46.5 -55.1 -45.3 11.7 17.8 46.0 67 68 A I H >X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 3,-0.6 0.925 111.3 50.0 -63.8 -47.6 14.1 16.5 43.3 68 69 A R H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 107.0 56.4 -62.5 -32.7 11.4 16.0 40.7 69 70 A E H 3< S+ 0 0 144 -4,-2.4 -1,-0.2 -5,-0.2 3,-0.2 0.800 117.2 35.0 -66.5 -29.6 10.2 19.6 41.4 70 71 A I H << S+ 0 0 20 -4,-1.1 2,-0.9 -3,-0.6 -2,-0.2 0.846 120.4 43.5 -93.8 -45.7 13.7 20.9 40.6 71 72 A I < + 0 0 8 -4,-3.1 -1,-0.3 -5,-0.1 3,-0.3 -0.839 69.4 157.9-103.2 91.7 15.0 18.6 37.9 72 73 A T + 0 0 93 -2,-0.9 -1,-0.1 -3,-0.2 -4,-0.1 0.562 63.2 49.1 -95.7 -9.8 11.9 18.5 35.7 73 74 A D S S+ 0 0 116 2,-0.1 -1,-0.2 -67,-0.0 -5,-0.0 0.269 94.9 74.7-116.5 10.8 13.3 17.4 32.3 74 75 A K S S- 0 0 38 -3,-0.3 -31,-0.2 -6,-0.1 -68,-0.1 -0.962 84.9-105.4-124.0 140.8 15.6 14.5 33.1 75 76 A P - 0 0 6 0, 0.0 -31,-2.6 0, 0.0 2,-0.5 -0.361 34.4-135.8 -61.0 143.8 14.5 10.9 33.9 76 77 A L E -d 44 0B 5 -33,-0.2 34,-1.9 32,-0.1 35,-1.7 -0.937 13.7-161.9-108.7 123.3 15.0 10.1 37.6 77 78 A L E -de 45 111B 1 -33,-3.0 -31,-3.0 -2,-0.5 2,-0.6 -0.933 10.8-146.2-105.7 124.9 16.5 6.8 38.6 78 79 A F E +de 46 112B 1 33,-2.9 35,-2.2 -2,-0.5 2,-0.5 -0.842 23.6 177.3 -96.2 115.5 15.9 5.7 42.3 79 80 A T E -d 47 0B 0 -33,-2.4 -31,-1.8 -2,-0.6 2,-0.8 -0.927 21.0-177.0-130.6 108.9 18.9 3.8 43.7 80 81 A F - 0 0 1 -2,-0.5 2,-0.7 33,-0.5 -33,-0.1 -0.912 21.1-157.6 -96.4 108.2 19.3 2.5 47.2 81 82 A R - 0 0 9 -2,-0.8 8,-0.6 5,-0.1 7,-0.4 -0.839 15.9-132.1 -91.0 117.4 22.8 1.0 47.1 82 83 A S B > > -i 89 0C 9 -2,-0.7 5,-3.0 5,-0.2 3,-1.9 -0.268 14.4-117.3 -69.7 152.5 23.1 -1.5 49.8 83 84 A A G > 5S+ 0 0 1 6,-1.0 3,-2.1 1,-0.3 7,-0.1 0.901 114.9 62.5 -53.7 -41.2 26.0 -1.7 52.2 84 85 A K G 3 5S+ 0 0 67 1,-0.3 -1,-0.3 2,-0.2 597,-0.1 0.610 106.8 44.4 -62.6 -14.0 27.0 -5.1 50.8 85 86 A E G < 5S- 0 0 11 -3,-1.9 -1,-0.3 58,-0.1 -2,-0.2 -0.097 137.1 -82.2-119.5 30.0 27.6 -3.5 47.4 86 87 A G T < 5S+ 0 0 13 -3,-2.1 -3,-0.3 564,-0.6 -2,-0.2 0.465 84.9 142.5 87.8 7.6 29.5 -0.5 48.8 87 88 A G < - 0 0 0 -5,-3.0 -1,-0.2 2,-0.1 -5,-0.2 0.012 61.0-103.2 -75.7-175.1 26.5 1.6 49.9 88 89 A E S S+ 0 0 18 -7,-0.4 624,-3.2 623,-0.1 625,-0.3 0.486 91.1 17.1 -94.3 -6.2 26.0 3.9 52.9 89 90 A Q B -i 82 0C 19 -8,-0.6 -6,-1.0 622,-0.2 2,-0.3 -0.981 68.0-117.2-165.1 154.7 23.7 1.8 55.0 90 91 A A + 0 0 21 -2,-0.3 2,-0.3 -8,-0.2 591,-0.1 -0.729 29.8 173.9 -97.8 137.5 22.4 -1.6 55.6 91 92 A L - 0 0 31 -2,-0.3 2,-0.1 590,-0.1 -8,-0.1 -0.949 34.6-107.1-132.0 157.8 18.7 -2.6 55.3 92 93 A T > - 0 0 79 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.369 37.8-106.5 -74.7 163.6 17.0 -6.0 55.4 93 94 A T H > S+ 0 0 62 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.933 121.8 53.8 -54.7 -46.1 15.8 -7.5 52.2 94 95 A G H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.6 45.0 -56.2 -46.3 12.2 -6.7 53.3 95 96 A Q H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 113.7 50.4 -66.1 -42.1 13.0 -3.0 53.9 96 97 A Y H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.919 113.1 44.9 -62.4 -47.0 14.9 -2.7 50.7 97 98 A I H X S+ 0 0 19 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.918 114.3 49.5 -64.4 -44.6 12.1 -4.3 48.6 98 99 A D H X S+ 0 0 107 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.879 109.1 52.8 -60.8 -39.4 9.4 -2.2 50.4 99 100 A L H X S+ 0 0 18 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.928 111.8 45.0 -61.6 -48.2 11.5 1.0 49.8 100 101 A N H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.868 111.5 52.5 -62.7 -38.1 11.6 0.3 46.0 101 102 A R H X S+ 0 0 89 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.911 108.7 50.7 -63.9 -41.3 7.9 -0.6 45.8 102 103 A A H X S+ 0 0 36 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.882 109.4 51.5 -63.5 -37.6 7.1 2.7 47.5 103 104 A A H X>S+ 0 0 1 -4,-1.7 4,-0.6 2,-0.2 6,-0.6 0.931 111.6 46.5 -62.3 -48.6 9.3 4.5 44.9 104 105 A V H ><5S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.933 113.1 49.0 -58.0 -47.4 7.5 2.7 42.1 105 106 A D H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 98.0 70.7 -69.4 -21.4 4.0 3.5 43.5 106 107 A S H 3<5S- 0 0 37 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.758 89.8-141.7 -65.7 -29.1 4.9 7.2 44.1 107 108 A G T <<5S+ 0 0 55 -3,-1.0 -1,-0.1 -4,-0.6 -3,-0.1 0.515 76.0 105.4 75.3 6.9 4.8 8.0 40.4 108 109 A L < + 0 0 47 -5,-0.5 2,-0.3 2,-0.0 -4,-0.1 0.661 67.1 62.1 -92.1 -19.2 7.8 10.3 41.0 109 110 A V - 0 0 7 -6,-0.6 -32,-0.2 -5,-0.1 -2,-0.1 -0.863 56.0-160.7-115.4 145.7 10.6 8.1 39.5 110 111 A D S S+ 0 0 27 -34,-1.9 26,-2.2 -2,-0.3 2,-0.3 0.638 79.9 16.5 -91.4 -20.8 11.1 6.9 35.9 111 112 A M E -ef 77 136B 0 -35,-1.7 -33,-2.9 24,-0.2 2,-0.3 -0.995 59.8-154.0-151.9 151.0 13.5 4.0 36.9 112 113 A I E -ef 78 137B 0 24,-2.5 26,-2.7 -2,-0.3 2,-0.5 -0.926 16.3-134.6-124.8 155.8 14.6 2.0 39.8 113 114 A D E - f 0 138B 1 -35,-2.2 -33,-0.5 -2,-0.3 2,-0.4 -0.934 22.2-174.1-106.7 125.9 17.9 0.2 40.4 114 115 A L E - f 0 139B 0 24,-2.3 26,-2.5 -2,-0.5 2,-0.3 -0.993 24.9-123.8-119.5 133.9 17.6 -3.4 41.8 115 116 A E E > - f 0 140B 1 -2,-0.4 3,-1.6 24,-0.2 4,-0.2 -0.591 13.5-137.3 -78.1 129.5 20.7 -5.4 42.8 116 117 A L G > S+ 0 0 2 24,-2.6 3,-0.8 -2,-0.3 -1,-0.1 0.884 102.0 54.9 -47.0 -46.9 20.9 -8.8 41.0 117 118 A F G 3 S+ 0 0 107 23,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.123 74.7 102.0 -85.6 26.1 21.9 -10.5 44.2 118 119 A T G < S- 0 0 11 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.812 103.3 -72.9 -72.4 -31.1 18.9 -9.4 46.3 119 120 A G <> - 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