==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-AUG-12 4GUG . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.H.LIGHT,G.MINASOV,M.-E.DUBAN,L.SHUVALOVA,K.KWON,A.LAVIE, . 492 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.4 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 . 2 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 . 2 0.4 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 1 3 4 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 1 A M 0 0 193 0, 0.0 2,-0.5 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 -15.8 11.1 5.4 25.9 2 2 A K + 0 0 39 196,-0.2 2,-0.3 10,-0.2 196,-0.1 -0.815 360.0 175.4 -91.3 126.4 11.5 4.4 29.6 3 3 A T - 0 0 53 -2,-0.5 2,-0.4 194,-0.2 9,-0.2 -0.871 29.3-158.1-133.8 161.9 15.2 4.5 30.6 4 4 A V E -A 11 0A 18 7,-2.1 7,-2.9 -2,-0.3 2,-0.5 -0.993 16.7-146.1-136.1 129.1 17.6 4.1 33.4 5 5 A T E -A 10 0A 83 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.882 17.0-178.7-101.2 126.0 21.2 5.6 33.4 6 6 A V E > -A 9 0A 5 3,-2.6 3,-1.8 -2,-0.5 2,-0.5 -0.955 68.8 -35.6-130.8 115.7 23.9 3.6 35.2 7 7 A R T 3 S- 0 0 82 -2,-0.5 68,-0.1 1,-0.3 67,-0.0 -0.641 126.8 -34.7 63.9-121.9 27.2 5.1 35.2 8 8 A D T 3 S+ 0 0 150 -2,-0.5 2,-0.5 66,-0.4 -1,-0.3 0.410 115.2 108.1-107.4 6.4 27.2 6.7 31.7 9 9 A L E < -A 6 0A 30 -3,-1.8 -3,-2.6 34,-0.1 2,-0.8 -0.691 58.6-148.9 -90.3 130.7 25.1 4.1 30.0 10 10 A V E > -A 5 0A 41 -2,-0.5 3,-0.8 -5,-0.2 2,-0.5 -0.801 15.5-162.2 -97.4 104.1 21.5 4.7 29.0 11 11 A V E 3 S+A 4 0A 0 -7,-2.9 -7,-2.1 -2,-0.8 3,-0.1 -0.749 73.2 37.4 -89.4 127.9 19.6 1.5 29.3 12 12 A G T 3 S+ 0 0 26 -2,-0.5 2,-0.3 210,-0.4 -1,-0.2 0.253 98.5 89.1 117.2 -10.1 16.3 1.5 27.4 13 13 A E S < S- 0 0 114 -3,-0.8 -1,-0.4 2,-0.2 -3,-0.1 -0.894 85.8 -11.5-115.2 146.2 17.4 3.5 24.4 14 14 A G S S+ 0 0 41 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 -0.285 114.5 1.0 71.5-150.7 19.0 2.4 21.2 15 15 A A S S- 0 0 19 1,-0.1 -3,-0.2 -4,-0.0 -2,-0.2 -0.349 90.7 -90.9 -76.9 144.8 20.2 -1.1 20.7 16 16 A P - 0 0 7 0, 0.0 207,-0.3 0, 0.0 2,-0.2 -0.261 46.8-112.7 -52.6 148.6 19.9 -3.5 23.5 17 17 A K E -b 223 0B 22 205,-2.1 207,-2.4 -3,-0.1 2,-0.6 -0.565 22.1-125.9 -89.5 142.7 22.9 -3.6 25.9 18 18 A I E -b 224 0B 0 -2,-0.2 25,-2.3 205,-0.2 26,-2.2 -0.841 21.0-163.5 -96.5 120.8 25.1 -6.6 26.2 19 19 A I E -bc 225 44B 1 205,-3.1 207,-1.9 -2,-0.6 2,-0.4 -0.884 4.4-170.8-101.3 133.8 25.7 -8.1 29.7 20 20 A V E - c 0 45B 1 24,-2.2 26,-3.3 -2,-0.4 2,-0.5 -0.963 15.8-134.5-122.8 147.3 28.6 -10.5 30.3 21 21 A S E - c 0 46B 24 205,-0.5 2,-0.6 -2,-0.4 26,-0.2 -0.851 3.2-147.6-111.5 134.7 29.0 -12.4 33.5 22 22 A L E + c 0 47B 0 24,-3.1 26,-2.5 -2,-0.5 29,-0.2 -0.835 20.9 173.4 -93.5 125.9 32.0 -13.0 35.7 23 23 A M + 0 0 67 -2,-0.6 -1,-0.1 24,-0.1 7,-0.1 0.195 20.7 144.9-122.3 18.2 31.8 -16.4 37.3 24 24 A G - 0 0 2 5,-0.1 27,-0.1 1,-0.1 6,-0.1 -0.144 41.0-151.2 -74.3 147.7 35.1 -16.9 39.0 25 25 A K S S+ 0 0 121 27,-0.2 28,-2.1 28,-0.1 29,-0.5 0.850 76.3 35.3 -80.7 -39.7 35.6 -18.7 42.3 26 26 A T S > S- 0 0 64 26,-0.2 4,-2.5 27,-0.1 5,-0.2 -0.726 85.3-107.4-116.1 162.8 38.7 -16.9 43.6 27 27 A I H > S+ 0 0 36 -2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.899 122.7 54.7 -52.3 -42.2 40.0 -13.4 43.6 28 28 A T H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 109.7 45.6 -60.3 -39.6 42.6 -14.6 41.1 29 29 A D H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 110.4 53.2 -69.0 -44.7 40.0 -16.0 38.9 30 30 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.896 111.1 47.1 -54.0 -51.3 37.8 -12.8 39.1 31 31 A K H X S+ 0 0 85 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.920 112.0 50.1 -59.5 -50.5 40.8 -10.7 38.0 32 32 A S H X S+ 0 0 70 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.934 112.0 47.3 -53.7 -43.9 41.7 -13.0 35.2 33 33 A E H X S+ 0 0 43 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.922 111.0 51.0 -66.8 -41.4 38.2 -13.0 33.8 34 34 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.920 112.1 47.0 -63.5 -43.1 37.9 -9.2 34.1 35 35 A L H X S+ 0 0 100 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.891 112.6 50.1 -65.2 -39.3 41.1 -8.8 32.2 36 36 A A H >< S+ 0 0 52 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.902 112.1 48.2 -63.3 -39.3 40.0 -11.3 29.6 37 37 A Y H >< S+ 0 0 37 -4,-2.6 3,-2.7 1,-0.2 5,-0.3 0.754 93.9 71.4 -77.1 -23.8 36.7 -9.6 29.1 38 38 A R H 3< S+ 0 0 143 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 91.1 63.7 -62.2 -22.8 38.1 -6.1 28.8 39 39 A E T << S+ 0 0 172 -3,-0.8 2,-0.3 -4,-0.5 -1,-0.3 0.313 98.0 76.7 -78.7 7.5 39.3 -7.5 25.4 40 40 A A S < S- 0 0 18 -3,-2.7 2,-1.1 188,-0.0 188,-0.1 -0.903 83.5-117.7-121.7 158.0 35.5 -7.9 24.4 41 41 A D + 0 0 88 -2,-0.3 2,-0.2 2,-0.0 -23,-0.1 -0.485 58.4 132.2 -97.0 73.3 32.7 -5.4 23.3 42 42 A F - 0 0 1 -2,-1.1 -23,-0.2 -5,-0.3 3,-0.1 -0.571 47.6-144.0-116.7 171.9 30.0 -5.5 26.0 43 43 A D S S+ 0 0 31 -25,-2.3 2,-0.4 1,-0.3 -24,-0.2 0.751 78.4 31.4-103.9 -41.6 28.1 -2.9 27.9 44 44 A I E -c 19 0B 4 -26,-2.2 -24,-2.2 31,-0.2 2,-0.6 -0.995 63.5-146.4-130.5 133.2 27.5 -4.1 31.4 45 45 A L E -cd 20 77B 2 31,-2.6 33,-3.2 -2,-0.4 2,-0.5 -0.882 14.3-162.0-100.8 117.9 29.7 -6.4 33.6 46 46 A E E -cd 21 78B 5 -26,-3.3 -24,-3.1 -2,-0.6 2,-0.7 -0.897 7.0-151.4 -96.6 130.3 27.7 -8.7 35.9 47 47 A W E -cd 22 79B 0 31,-3.3 33,-2.7 -2,-0.5 2,-1.6 -0.909 5.8-152.5 -99.2 115.4 29.6 -10.2 38.8 48 48 A R E > + d 0 80B 16 -26,-2.5 3,-1.8 -2,-0.7 4,-0.3 -0.661 19.7 178.9 -86.6 85.6 27.9 -13.6 39.6 49 49 A V G > + 0 0 0 -2,-1.6 3,-1.7 31,-1.3 32,-0.2 0.705 66.9 76.7 -72.5 -17.9 29.0 -13.4 43.2 50 50 A D G 3 S+ 0 0 0 30,-0.8 -1,-0.3 1,-0.3 31,-0.1 0.706 92.4 55.6 -61.9 -25.0 27.2 -16.7 44.1 51 51 A H G < S+ 0 0 33 -3,-1.8 2,-0.6 -29,-0.2 -1,-0.3 0.583 84.1 103.0 -77.4 -14.2 30.2 -18.4 42.4 52 52 A F X - 0 0 3 -3,-1.7 3,-1.5 -4,-0.3 -27,-0.2 -0.577 64.5-151.7 -79.0 114.1 32.7 -16.6 44.6 53 53 A A T 3 S+ 0 0 56 -28,-2.1 3,-0.4 -2,-0.6 -1,-0.2 0.825 91.7 49.8 -56.1 -38.7 33.8 -19.0 47.2 54 54 A N T > S+ 0 0 86 -29,-0.5 3,-1.7 1,-0.2 7,-0.3 -0.056 70.5 128.4 -92.9 35.8 34.6 -16.5 49.9 55 55 A V T < + 0 0 4 -3,-1.5 -1,-0.2 1,-0.3 6,-0.1 0.837 69.1 55.7 -61.0 -29.7 31.2 -14.7 49.6 56 56 A T T 3 S+ 0 0 97 -3,-0.4 2,-0.7 1,-0.1 -1,-0.3 0.441 90.8 83.5 -85.3 2.2 30.4 -15.0 53.3 57 57 A T X> - 0 0 65 -3,-1.7 4,-2.0 1,-0.2 3,-0.7 -0.902 68.0-160.9-103.5 102.6 33.7 -13.1 54.1 58 58 A A H 3> S+ 0 0 78 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.866 88.0 53.1 -50.1 -48.1 32.9 -9.4 53.8 59 59 A E H 3> S+ 0 0 124 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 108.5 51.0 -60.3 -34.3 36.5 -8.3 53.4 60 60 A S H <> S+ 0 0 18 -3,-0.7 4,-2.3 -6,-0.2 -1,-0.2 0.899 110.1 48.2 -70.5 -42.0 37.0 -10.8 50.5 61 61 A V H X S+ 0 0 14 -4,-2.0 4,-2.5 -7,-0.3 5,-0.2 0.924 112.7 48.7 -62.2 -43.1 34.0 -9.6 48.7 62 62 A L H X S+ 0 0 85 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.912 110.9 51.0 -66.6 -41.7 35.0 -5.9 49.1 63 63 A E H X S+ 0 0 96 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.925 112.2 46.3 -58.4 -46.0 38.6 -6.8 47.9 64 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.913 110.0 52.8 -66.4 -39.2 37.3 -8.5 44.7 65 65 A A H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.931 110.7 49.1 -63.8 -38.9 34.8 -5.8 43.9 66 66 A G H X S+ 0 0 21 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.901 109.6 50.9 -65.0 -42.2 37.7 -3.3 44.1 67 67 A A H X S+ 0 0 9 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.897 110.1 48.9 -63.4 -44.5 39.9 -5.4 41.9 68 68 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 3,-0.4 0.916 109.9 51.7 -59.9 -46.6 37.2 -5.7 39.2 69 69 A R H < S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.761 105.5 57.7 -65.7 -24.9 36.6 -1.9 39.3 70 70 A E H < S+ 0 0 159 -4,-1.5 -1,-0.2 -5,-0.2 3,-0.2 0.891 114.9 36.3 -70.8 -32.9 40.3 -1.3 38.8 71 71 A I H < S+ 0 0 21 -4,-1.2 2,-0.9 -3,-0.4 -2,-0.2 0.880 121.0 42.8 -85.8 -45.6 40.3 -3.3 35.7 72 72 A I < + 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -27,-0.1 -0.855 67.8 158.9-108.6 89.2 36.9 -2.3 34.2 73 73 A T + 0 0 61 -2,-0.9 -1,-0.2 -3,-0.2 -4,-0.1 0.643 65.7 41.1 -88.9 -23.5 36.8 1.4 34.8 74 74 A D S S+ 0 0 113 -3,-0.1 -66,-0.4 2,-0.1 -1,-0.1 0.875 96.3 76.6 -91.5 -48.5 34.3 2.5 32.3 75 75 A K S S- 0 0 50 1,-0.1 -31,-0.2 -68,-0.1 -68,-0.1 -0.284 84.0-101.0 -79.6 146.0 31.5 0.1 32.3 76 76 A P - 0 0 4 0, 0.0 -31,-2.6 0, 0.0 2,-0.5 -0.369 32.4-140.5 -58.3 143.8 28.7 -0.3 34.9 77 77 A L E -d 45 0B 2 -33,-0.2 34,-2.0 32,-0.1 35,-1.5 -0.963 11.3-161.3-114.2 119.8 29.1 -3.2 37.4 78 78 A L E -de 46 112B 2 -33,-3.2 -31,-3.3 -2,-0.5 2,-0.6 -0.931 8.3-148.0-103.5 127.2 26.1 -5.2 38.3 79 79 A F E +de 47 113B 2 33,-2.6 35,-1.7 -2,-0.5 2,-0.5 -0.863 23.1 175.8 -97.6 118.8 26.3 -7.2 41.6 80 80 A T E -d 48 0B 5 -33,-2.7 -31,-1.3 -2,-0.6 -30,-0.8 -0.964 19.5-176.1-134.7 107.1 24.2 -10.5 41.3 81 81 A F - 0 0 2 -2,-0.5 2,-0.5 33,-0.5 -33,-0.1 -0.933 19.3-155.8 -97.2 107.1 24.0 -13.2 43.9 82 82 A R - 0 0 45 -2,-0.8 8,-0.4 5,-0.1 7,-0.2 -0.726 23.6-120.7 -79.7 124.4 21.8 -15.8 42.3 83 83 A S > - 0 0 23 -2,-0.5 3,-0.7 5,-0.1 5,-0.2 -0.257 11.0-118.3 -71.2 154.7 20.3 -17.8 45.1 84 84 A A G > S+ 0 0 44 6,-0.5 3,-2.5 1,-0.3 -1,-0.1 0.838 115.4 64.3 -57.7 -39.9 20.7 -21.5 45.6 85 85 A K G 3 S+ 0 0 206 1,-0.3 -1,-0.3 2,-0.2 6,-0.0 0.905 106.1 46.5 -50.6 -37.3 16.9 -21.9 45.2 86 86 A A G < S- 0 0 22 -3,-0.7 -1,-0.3 58,-0.0 -2,-0.2 0.177 135.6 -91.5 -88.0 15.1 17.6 -20.6 41.6 87 87 A G S < S+ 0 0 55 -3,-2.5 -3,-0.3 1,-0.1 2,-0.2 0.991 75.6 154.0 69.7 51.3 20.6 -23.0 41.2 88 88 A G - 0 0 16 -5,-0.2 -1,-0.1 2,-0.1 -5,-0.1 -0.533 55.6-106.3 -91.2 175.1 23.2 -20.5 42.5 89 89 A E S S+ 0 0 98 -2,-0.2 2,-0.4 -7,-0.2 -38,-0.1 0.818 89.7 31.0 -79.5 -27.7 26.3 -22.1 44.0 90 90 A Q S S- 0 0 48 -8,-0.4 -6,-0.5 -40,-0.1 2,-0.4 -0.958 72.3-116.0-141.4 151.8 25.7 -21.5 47.8 91 91 A A + 0 0 85 -2,-0.4 2,-0.4 -8,-0.1 -8,-0.1 -0.618 29.4 172.6 -90.3 131.2 23.1 -21.1 50.3 92 92 A L - 0 0 33 -2,-0.4 -8,-0.1 3,-0.0 2,-0.1 -0.983 33.5-118.4-123.6 146.7 22.5 -17.8 52.2 93 93 A T > - 0 0 86 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.345 37.1-103.0 -69.2 165.4 19.6 -17.2 54.5 94 94 A T H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 124.6 52.0 -57.1 -44.9 17.3 -14.2 53.4 95 95 A G H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 109.9 47.7 -60.5 -39.9 19.0 -12.1 56.0 96 96 A Q H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.847 111.3 50.6 -65.6 -41.8 22.5 -12.9 54.8 97 97 A Y H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 111.8 47.4 -66.1 -41.6 21.4 -12.2 51.1 98 98 A I H X S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.953 113.2 49.4 -66.0 -42.4 19.9 -8.8 52.1 99 99 A D H X S+ 0 0 101 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.876 107.6 53.1 -63.2 -37.1 23.1 -8.0 54.0 100 100 A L H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.922 112.5 45.2 -61.3 -48.5 25.3 -9.0 51.2 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.884 111.1 52.4 -65.8 -40.4 23.4 -6.6 48.8 102 102 A R H X S+ 0 0 83 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.906 109.8 50.2 -63.4 -38.3 23.4 -3.8 51.4 103 103 A A H X S+ 0 0 57 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.874 107.3 52.4 -66.0 -34.9 27.1 -4.2 51.7 104 104 A A H X>S+ 0 0 5 -4,-1.8 4,-0.6 2,-0.2 6,-0.6 0.915 112.8 46.9 -65.6 -40.2 27.5 -4.1 47.9 105 105 A V H ><5S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.953 112.4 49.1 -63.3 -50.9 25.5 -0.8 48.0 106 106 A D H 3<5S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.806 98.1 70.0 -65.2 -26.2 27.5 0.6 50.9 107 107 A S H 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.741 89.2-143.4 -62.5 -31.7 30.8 -0.2 49.1 108 108 A G T <<5S+ 0 0 66 -3,-1.2 -1,-0.1 -4,-0.6 -3,-0.1 0.583 77.0 100.5 78.1 5.2 30.3 2.5 46.5 109 109 A L < + 0 0 42 -5,-0.5 2,-0.4 1,-0.0 -4,-0.1 0.505 67.2 65.8-101.3 -9.4 31.9 0.1 44.0 110 110 A V - 0 0 5 -6,-0.6 -32,-0.2 -5,-0.2 -2,-0.2 -0.923 55.3-162.0-119.6 145.2 28.8 -1.3 42.2 111 111 A D S S+ 0 0 33 -34,-2.0 26,-2.3 -2,-0.4 2,-0.3 0.640 76.9 19.8 -93.6 -21.8 26.4 0.5 40.1 112 112 A M E -ef 78 137B 0 -35,-1.5 -33,-2.6 24,-0.2 2,-0.3 -0.980 59.7-155.6-147.5 148.4 23.5 -1.9 40.3 113 113 A I E -ef 79 138B 0 24,-2.2 26,-2.8 -2,-0.3 2,-0.5 -0.888 15.8-135.1-120.6 152.7 22.3 -4.8 42.4 114 114 A D E - f 0 139B 2 -35,-1.7 2,-0.5 -2,-0.3 -33,-0.5 -0.937 20.3-175.2-103.3 128.6 20.0 -7.7 41.6 115 115 A L E - f 0 140B 0 24,-2.6 26,-2.1 -2,-0.5 2,-0.3 -0.991 25.3-122.0-123.5 131.7 17.2 -8.6 43.9 116 116 A E E > - f 0 141B 27 -2,-0.5 3,-2.1 24,-0.2 4,-0.3 -0.507 17.6-125.2 -74.7 141.1 15.1 -11.7 43.4 117 117 A L T 3 S+ 0 0 2 24,-3.1 3,-0.4 1,-0.3 25,-0.1 0.844 107.4 41.2 -50.5 -42.6 11.3 -11.2 43.0 118 118 A F T 3 S+ 0 0 135 23,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.248 79.7 111.3-101.4 25.3 10.3 -13.6 45.8 119 119 A T S < S- 0 0 24 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.871 99.2 -64.7 -59.6 -40.6 13.0 -12.7 48.3 120 120 A G > - 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