==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-11 3TYA . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.W.WHITE,M.-K.YUN . 526 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.7 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 0 0 0 2 1 4 1 0 0 2 0 2 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 7 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 PARALLEL BRIDGES PER LADDER . 1 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 0 2 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 0 183 0, 0.0 2,-0.4 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -37.9 -90.1 69.6 76.4 2 3 A W - 0 0 26 1,-0.0 14,-0.1 202,-0.0 13,-0.1 -0.996 360.0-159.6-114.2 131.1 -86.6 69.0 77.9 3 4 A D S S+ 0 0 157 -2,-0.4 2,-0.3 2,-0.0 -1,-0.0 0.206 70.1 57.1 -94.0 16.2 -85.1 65.8 76.6 4 5 A Y S S- 0 0 29 167,-0.0 11,-0.4 3,-0.0 2,-0.2 -0.994 72.1-129.7-148.2 147.9 -82.7 65.5 79.5 5 6 A D - 0 0 74 -2,-0.3 2,-0.8 9,-0.1 9,-0.2 -0.618 36.5-106.8 -88.3 156.4 -82.5 65.4 83.3 6 7 A L E -A 13 0A 1 7,-3.5 7,-2.9 -2,-0.2 2,-0.6 -0.779 36.9-144.6 -85.0 112.3 -80.3 67.7 85.3 7 8 A R E +A 12 0A 127 -2,-0.8 5,-0.2 164,-0.2 2,-0.1 -0.712 26.1 171.5 -88.4 118.1 -77.5 65.4 86.5 8 9 A C E > -A 11 0A 2 3,-2.2 3,-1.9 -2,-0.6 2,-0.2 -0.441 47.1-108.7-125.3 56.5 -76.2 66.2 90.0 9 10 A G T 3 S+ 0 0 52 1,-0.3 -1,-0.3 122,-0.2 100,-0.0 -0.385 109.1 15.2 58.3-117.9 -73.8 63.4 91.0 10 11 A E T 3 S+ 0 0 139 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.905 131.9 50.0 -45.9 -49.4 -75.8 61.5 93.7 11 12 A Y E < -A 8 0A 39 -3,-1.9 -3,-2.2 -4,-0.0 2,-0.4 -0.404 66.1-149.5-100.0 168.9 -79.1 63.2 92.8 12 13 A T E -A 7 0A 71 -5,-0.2 2,-0.6 -2,-0.1 -5,-0.2 -0.993 7.1-154.2-139.0 129.0 -81.1 63.9 89.6 13 14 A L E -A 6 0A 15 -7,-2.9 -7,-3.5 -2,-0.4 2,-0.4 -0.913 7.2-149.1-112.9 118.8 -83.4 66.8 88.9 14 15 A N - 0 0 50 -2,-0.6 4,-0.5 -9,-0.2 -9,-0.1 -0.715 4.9-165.1 -84.4 127.8 -86.3 66.5 86.4 15 16 A L S S+ 0 0 2 -2,-0.4 -1,-0.1 -11,-0.4 5,-0.1 0.507 78.6 57.6 -94.4 -4.9 -87.1 69.7 84.6 16 17 A N S S+ 0 0 54 -14,-0.1 251,-0.5 1,-0.1 -1,-0.2 0.732 96.6 56.2 -96.2 -23.0 -90.5 68.8 83.2 17 18 A E S S- 0 0 109 1,-0.2 2,-0.3 249,-0.1 -2,-0.1 0.879 113.4 -10.1 -87.3 -36.8 -92.6 67.9 86.3 18 19 A K S S- 0 0 74 -4,-0.5 2,-0.4 249,-0.1 -1,-0.2 -0.987 72.6 -88.5-154.7 156.9 -92.4 70.9 88.5 19 20 A T - 0 0 3 -2,-0.3 2,-0.3 238,-0.2 225,-0.2 -0.650 51.4-131.6 -63.7 123.5 -90.7 74.3 89.1 20 21 A L E -b 244 0B 6 223,-2.2 225,-2.0 -2,-0.4 2,-0.5 -0.663 16.0-141.9 -83.8 136.4 -87.6 73.4 91.2 21 22 A I E -b 245 0B 3 -2,-0.3 32,-2.9 30,-0.3 33,-1.4 -0.888 9.2-161.4-110.5 122.4 -87.1 75.5 94.3 22 23 A M E -bc 246 54B 1 223,-3.3 225,-2.4 -2,-0.5 2,-0.4 -0.903 14.6-145.7-105.0 121.2 -83.6 76.6 95.5 23 24 A G E -bc 247 55B 0 31,-2.8 33,-2.8 -2,-0.6 2,-0.5 -0.723 13.4-126.5 -93.4 130.5 -83.5 77.7 99.1 24 25 A I E - c 0 56B 13 223,-2.4 2,-0.8 -2,-0.4 33,-0.2 -0.623 18.2-154.5 -79.3 120.8 -81.1 80.5 100.1 25 26 A L E - c 0 57B 0 31,-2.8 33,-1.2 -2,-0.5 2,-0.3 -0.859 8.6-146.3 -99.9 105.9 -78.8 79.6 103.0 26 27 A N - 0 0 93 -2,-0.8 2,-0.9 31,-0.1 33,-0.1 -0.514 3.8-149.3 -62.0 123.8 -77.6 82.6 104.9 27 28 A V - 0 0 17 -2,-0.3 -1,-0.1 31,-0.2 33,-0.1 -0.765 16.1-170.0-102.2 86.1 -74.0 82.2 106.2 28 29 A T 0 0 103 -2,-0.9 11,-0.1 8,-0.2 12,-0.1 -0.683 360.0 360.0 -82.0 102.1 -74.1 84.2 109.5 29 30 A P 0 0 119 0, 0.0 45,-0.0 0, 0.0 -2,-0.0 -0.370 360.0 360.0 -83.3 360.0 -70.5 84.6 110.7 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 36 A G 0 0 45 0, 0.0 43,-0.2 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0-159.8 -65.5 79.8 110.2 32 37 A G + 0 0 18 42,-0.3 271,-1.2 1,-0.3 5,-0.1 -0.181 360.0 138.6 122.0 -37.2 -65.8 76.3 111.7 33 38 A S B > -J 302 0C 62 269,-0.2 4,-2.0 1,-0.1 -1,-0.3 0.115 60.0-121.4 -53.2 152.5 -67.6 77.0 115.0 34 39 A Y H > S+ 0 0 15 267,-1.5 4,-2.4 1,-0.2 5,-0.2 0.869 109.1 54.7 -60.6 -42.8 -70.4 74.8 116.4 35 40 A N H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 111.8 43.8 -56.0 -45.4 -73.0 77.7 116.5 36 41 A E H > S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.936 118.8 39.7 -68.9 -51.2 -72.5 78.6 112.9 37 42 A V H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.811 116.6 52.0 -71.3 -30.7 -72.5 75.1 111.3 38 43 A D H X S+ 0 0 15 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.899 110.5 46.3 -73.9 -40.6 -75.3 73.9 113.6 39 44 A A H X S+ 0 0 53 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.781 112.0 52.6 -71.4 -27.8 -77.7 76.8 112.8 40 45 A A H X S+ 0 0 4 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.878 109.6 48.6 -73.3 -38.4 -77.0 76.4 109.1 41 46 A V H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.879 111.0 49.6 -68.3 -38.6 -77.8 72.7 109.3 42 47 A R H X S+ 0 0 116 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.833 112.0 49.3 -69.0 -32.7 -81.1 73.4 111.2 43 48 A H H X S+ 0 0 44 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.840 111.3 48.2 -77.0 -34.5 -82.0 75.9 108.6 44 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.866 110.8 51.0 -70.6 -38.1 -81.2 73.6 105.7 45 50 A K H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.907 110.0 51.7 -64.6 -37.9 -83.3 70.8 107.4 46 51 A E H X S+ 0 0 95 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.916 109.1 48.7 -64.1 -44.6 -86.1 73.3 107.7 47 52 A M H <>S+ 0 0 3 -4,-1.9 5,-2.0 1,-0.2 3,-0.4 0.865 108.9 52.5 -67.6 -36.5 -86.0 74.2 104.1 48 53 A R H ><5S+ 0 0 85 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.920 108.6 52.6 -60.6 -43.3 -86.0 70.6 103.0 49 54 A D H 3<5S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.690 106.4 53.5 -63.0 -22.7 -89.1 70.1 105.2 50 55 A E T 3<5S- 0 0 65 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.357 130.1 -82.0-102.6 2.6 -90.9 73.0 103.5 51 56 A G T < 5S+ 0 0 25 -3,-1.2 -30,-0.3 -4,-0.3 -3,-0.2 0.588 72.2 153.2 112.6 17.5 -90.5 71.8 99.9 52 57 A A < - 0 0 6 -5,-2.0 -1,-0.2 1,-0.1 -30,-0.2 -0.496 25.2-170.1 -78.3 146.3 -87.0 72.9 98.7 53 58 A H S S+ 0 0 37 -32,-2.9 2,-0.3 1,-0.3 -31,-0.2 0.617 71.9 25.3-108.2 -17.8 -85.2 71.0 96.0 54 59 A I E -c 22 0B 2 -33,-1.4 -31,-2.8 34,-0.1 2,-0.5 -0.991 68.0-137.5-145.2 140.3 -81.7 72.5 96.2 55 60 A I E -cd 23 90B 0 34,-2.6 36,-2.5 -2,-0.3 2,-0.8 -0.920 14.6-154.1-102.1 125.8 -79.7 74.2 99.0 56 61 A D E -cd 24 91B 1 -33,-2.8 -31,-2.8 -2,-0.5 2,-0.6 -0.842 13.0-170.3-102.0 103.3 -77.8 77.4 97.9 57 62 A I E +cd 25 92B 0 34,-2.4 36,-2.7 -2,-0.8 2,-0.2 -0.826 31.9 103.6 -98.4 120.4 -74.8 77.9 100.2 58 63 A G - 0 0 12 -33,-1.2 2,-0.3 -2,-0.6 -31,-0.2 -0.639 33.7-171.0 169.2 134.5 -72.9 81.2 100.0 59 64 A G + 0 0 30 -2,-0.2 3,-0.1 -33,-0.1 16,-0.1 -0.827 55.7 67.3-127.0 170.1 -72.4 84.6 101.7 60 65 A E S S+ 0 0 65 -2,-0.3 2,-0.4 1,-0.3 6,-0.1 0.546 73.1 108.4 95.3 13.2 -70.6 88.0 101.1 61 66 A S 0 0 54 -3,-0.1 -1,-0.3 32,-0.0 -3,-0.0 -0.992 360.0 360.0-121.6 127.2 -72.8 89.1 98.1 62 67 A T 0 0 159 -2,-0.4 -3,-0.0 2,-0.1 -1,-0.0 -0.214 360.0 360.0 169.3 360.0 -75.3 92.0 98.6 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 72 A A 0 0 134 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 170.9 -67.5 93.5 101.1 65 73 A K - 0 0 99 2,-0.0 2,-0.1 0, 0.0 -5,-0.0 -0.664 360.0-177.5-148.2 87.2 -64.4 91.9 99.6 66 74 A V - 0 0 54 -2,-0.2 2,-0.1 -6,-0.1 5,-0.0 -0.467 32.8-100.3 -86.8 155.1 -62.9 89.0 101.6 67 75 A S >> - 0 0 68 -2,-0.1 4,-1.4 1,-0.1 3,-0.9 -0.460 29.8-122.6 -74.0 150.2 -59.7 87.1 100.8 68 76 A V H 3> S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.877 106.0 59.2 -64.1 -45.2 -60.1 83.7 99.1 69 77 A E H 3> S+ 0 0 130 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.682 110.0 48.9 -62.2 -16.1 -58.3 81.4 101.6 70 78 A E H <> S+ 0 0 89 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.865 99.3 61.0 -87.9 -45.6 -60.9 82.7 104.1 71 79 A E H X S+ 0 0 27 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.805 106.3 51.4 -51.2 -33.7 -64.0 82.1 102.1 72 80 A I H X S+ 0 0 24 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.927 105.1 52.8 -70.1 -49.5 -63.1 78.4 102.1 73 81 A K H < S+ 0 0 121 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 116.0 44.1 -52.0 -37.8 -62.6 78.3 105.9 74 82 A R H X S+ 0 0 71 -4,-2.1 4,-0.5 -43,-0.2 -42,-0.3 0.946 124.1 29.3 -68.6 -52.1 -66.1 79.8 106.1 75 83 A V H X S+ 0 0 8 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.690 103.1 69.8 -97.5 -24.9 -67.9 77.7 103.5 76 84 A V H X S+ 0 0 22 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.941 101.4 47.0 -63.5 -49.2 -66.2 74.2 103.4 77 85 A P H > S+ 0 0 31 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.860 108.2 58.9 -59.3 -36.5 -67.4 73.0 106.8 78 86 A M H X S+ 0 0 2 -4,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.862 108.5 43.7 -58.0 -41.1 -70.9 74.2 105.9 79 87 A I H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.4 5,-0.3 0.905 109.3 54.7 -74.5 -45.8 -71.0 71.9 102.9 80 88 A Q H X S+ 0 0 99 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.881 114.9 42.6 -52.8 -41.5 -69.6 68.8 104.6 81 89 A A H X S+ 0 0 7 -4,-1.9 4,-1.6 -5,-0.2 3,-0.4 0.958 115.3 44.7 -72.5 -54.7 -72.3 69.1 107.2 82 90 A V H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 3,-0.2 0.913 113.0 49.5 -61.5 -48.2 -75.4 69.9 105.1 83 91 A S H < S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.750 112.3 51.5 -62.3 -24.5 -74.7 67.3 102.4 84 92 A K H < S+ 0 0 138 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.858 122.8 26.7 -78.4 -35.0 -74.2 64.7 105.2 85 93 A E H < S+ 0 0 47 -4,-1.6 2,-0.4 -3,-0.2 -2,-0.2 0.456 118.0 55.8-114.4 -6.1 -77.4 65.4 107.0 86 94 A V S < S- 0 0 1 -4,-2.4 2,-2.2 -5,-0.2 -1,-0.2 -0.929 73.5-144.2-131.1 107.6 -79.7 66.8 104.3 87 95 A K + 0 0 137 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 -0.429 63.5 104.3 -74.3 78.1 -80.2 64.5 101.3 88 96 A L S S- 0 0 26 -2,-2.2 -34,-0.1 -6,-0.1 -2,-0.1 -0.985 76.7 -91.2-158.2 147.8 -80.4 67.3 98.7 89 97 A P - 0 0 3 0, 0.0 -34,-2.6 0, 0.0 2,-0.5 -0.396 39.1-149.9 -68.6 144.0 -78.2 68.9 96.0 90 98 A I E -d 55 0B 0 17,-0.3 19,-2.9 -36,-0.2 20,-1.9 -0.958 7.0-160.7-118.6 132.9 -76.1 71.8 97.1 91 99 A S E -de 56 110B 0 -36,-2.5 -34,-2.4 -2,-0.5 2,-0.5 -0.883 15.4-136.3-104.9 145.3 -75.0 74.7 95.0 92 100 A I E -de 57 111B 2 18,-2.2 20,-2.4 -2,-0.4 2,-1.2 -0.892 9.8-144.7-101.6 126.2 -72.1 76.9 96.0 93 101 A D E + e 0 112B 13 -36,-2.7 2,-0.3 -2,-0.5 20,-0.1 -0.695 54.9 109.4 -95.8 84.9 -72.6 80.6 95.5 94 102 A T - 0 0 3 -2,-1.2 21,-0.2 18,-0.7 18,-0.1 -0.935 52.9-155.9-143.7 165.6 -69.2 82.0 94.5 95 103 A Y + 0 0 67 -2,-0.3 25,-0.4 18,-0.2 2,-0.2 0.516 67.9 102.8-111.9 -18.3 -67.5 83.5 91.4 96 104 A K > - 0 0 15 1,-0.1 4,-2.1 23,-0.1 5,-0.2 -0.459 64.1-146.3 -76.4 133.3 -63.9 82.5 92.5 97 105 A A H > S+ 0 0 13 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.909 98.1 49.0 -65.1 -45.2 -62.3 79.5 90.8 98 106 A E H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.802 111.6 50.1 -66.9 -31.3 -60.3 78.3 93.9 99 107 A V H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.904 110.2 49.7 -72.5 -44.2 -63.4 78.6 96.1 100 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.937 105.5 57.1 -59.3 -49.7 -65.6 76.5 93.7 101 109 A K H X S+ 0 0 91 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.901 109.1 46.1 -46.7 -49.7 -63.0 73.8 93.5 102 110 A Q H X S+ 0 0 64 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.879 107.6 57.4 -62.8 -42.3 -63.0 73.3 97.2 103 111 A A H <>S+ 0 0 0 -4,-1.8 5,-3.0 2,-0.2 4,-0.5 0.876 109.2 42.9 -61.7 -44.3 -66.8 73.3 97.5 104 112 A I H ><5S+ 0 0 26 -4,-2.0 3,-0.7 3,-0.3 -1,-0.2 0.878 114.0 53.1 -68.8 -37.2 -67.3 70.4 95.1 105 113 A E H 3<5S+ 0 0 119 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.817 109.2 49.3 -64.6 -32.6 -64.4 68.6 96.8 106 114 A A T 3<5S- 0 0 14 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.555 138.2 -84.4 -83.6 -9.7 -66.3 69.2 100.0 107 115 A G T < 5S+ 0 0 24 -3,-0.7 -3,-0.3 -4,-0.5 -17,-0.3 0.544 76.9 145.1 122.1 12.4 -69.5 67.8 98.5 108 116 A A < - 0 0 2 -5,-3.0 -1,-0.3 -8,-0.1 -17,-0.2 -0.615 27.9-164.7 -87.5 144.4 -71.3 70.6 96.6 109 117 A H + 0 0 28 -19,-2.9 2,-0.3 -2,-0.2 -18,-0.2 0.651 62.5 38.1-107.2 -25.7 -73.1 69.7 93.3 110 118 A I E -e 91 0B 2 -20,-1.9 -18,-2.2 22,-0.2 2,-0.4 -0.956 68.2-134.7-127.3 147.3 -73.9 72.9 91.3 111 119 A I E -ef 92 134B 0 22,-2.5 24,-2.3 -2,-0.3 2,-0.5 -0.876 12.1-163.2 -99.7 143.8 -71.9 76.0 90.8 112 120 A N E -ef 93 135B 5 -20,-2.4 -18,-0.7 -2,-0.4 2,-0.7 -0.841 9.9-175.5-125.7 93.8 -73.6 79.4 91.1 113 121 A D E > - f 0 136B 0 22,-2.1 24,-1.7 -2,-0.5 3,-1.2 -0.804 15.8-169.7 -99.3 113.6 -71.6 82.1 89.5 114 122 A I T 3 S+ 0 0 15 -2,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.471 92.5 48.6 -77.5 -3.2 -72.9 85.7 89.9 115 123 A W T > S- 0 0 75 -21,-0.2 3,-2.4 24,-0.1 -1,-0.3 0.236 105.3-128.2-117.6 11.2 -70.3 86.9 87.3 116 124 A G T < - 0 0 0 -3,-1.2 46,-0.2 1,-0.3 47,-0.1 0.853 69.6 -53.0 44.9 52.3 -71.1 84.2 84.7 117 125 A A T 3 S+ 0 0 0 1,-0.1 -1,-0.3 3,-0.1 7,-0.1 0.436 121.8 102.4 66.5 4.4 -67.4 83.1 84.3 118 126 A K S < S+ 0 0 72 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.1 0.725 73.6 57.5 -87.2 -23.5 -66.3 86.7 83.6 119 127 A A S S- 0 0 39 1,-0.3 -1,-0.1 -4,-0.2 -23,-0.1 0.964 133.1 -0.4 -67.5 -56.1 -64.9 87.3 87.1 120 128 A E > - 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