==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-APR-09 3H2M . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 529 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 12.1 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 . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 0 0 2 0 6 0 0 0 2 0 2 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 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 1 A M 0 0 142 0, 0.0 3,-0.0 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 -65.8 -92.6 68.1 76.1 2 2 A K + 0 0 109 1,-0.1 2,-0.5 15,-0.0 15,-0.0 0.846 360.0 46.8 -84.3 -36.5 -90.5 71.5 76.1 3 3 A W - 0 0 28 1,-0.1 -1,-0.1 2,-0.0 14,-0.1 -0.928 62.4-163.5-106.7 131.8 -87.2 70.2 77.5 4 4 A D S S+ 0 0 153 -2,-0.5 2,-0.3 12,-0.0 -1,-0.1 0.319 75.2 41.3 -98.4 11.4 -85.7 67.0 75.9 5 5 A Y S S- 0 0 31 171,-0.0 11,-0.5 3,-0.0 2,-0.3 -0.954 75.1-124.5-144.7 163.7 -83.4 66.5 78.8 6 6 A D - 0 0 68 -2,-0.3 2,-0.7 9,-0.1 9,-0.2 -0.781 36.5-102.4-101.1 151.6 -83.2 66.7 82.6 7 7 A L E -A 14 0A 2 7,-2.6 7,-2.4 -2,-0.3 2,-0.7 -0.687 36.2-147.1 -70.4 117.1 -80.7 68.8 84.5 8 8 A R E +A 13 0A 117 -2,-0.7 5,-0.2 5,-0.2 2,-0.2 -0.801 22.7 175.1 -89.3 112.9 -78.2 66.2 85.7 9 9 A C E > -A 12 0A 2 3,-2.6 3,-2.2 -2,-0.7 2,-0.4 -0.524 52.0 -99.4-113.2 64.4 -76.8 67.3 89.2 10 10 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.2 126,-0.2 104,-0.0 -0.454 110.4 7.7 61.6-111.1 -74.6 64.3 90.1 11 11 A E T 3 S+ 0 0 133 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.673 130.3 60.8 -73.5 -17.3 -76.7 62.2 92.5 12 12 A Y E < -A 9 0A 37 -3,-2.2 -3,-2.6 81,-0.0 2,-0.4 -0.838 64.3-159.4-114.8 149.7 -79.9 64.3 91.9 13 13 A T E -A 8 0A 73 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.996 4.8-153.6-129.4 134.9 -81.9 65.0 88.7 14 14 A L E -A 7 0A 13 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.6 -0.943 10.1-144.4-108.6 120.7 -84.2 67.9 88.0 15 15 A N > - 0 0 54 -2,-0.5 4,-0.6 -9,-0.2 -9,-0.1 -0.742 5.8-159.8 -79.3 121.7 -87.0 67.5 85.5 16 16 A L T 4 S+ 0 0 3 -2,-0.6 -1,-0.1 -11,-0.5 5,-0.1 0.514 85.6 48.0 -79.5 -7.6 -87.5 70.8 83.7 17 17 A N T 4 S+ 0 0 44 -14,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.669 95.2 68.0-107.9 -29.7 -91.0 70.0 82.5 18 18 A E T 4 S- 0 0 114 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.929 112.0 -29.6 -55.8 -54.6 -92.8 68.7 85.6 19 19 A K S < S- 0 0 69 -4,-0.6 2,-0.4 229,-0.1 -1,-0.2 -0.959 74.2 -72.7-163.1 159.8 -93.0 71.8 87.7 20 20 A T - 0 0 3 -2,-0.3 2,-0.6 242,-0.2 229,-0.2 -0.617 52.4-130.0 -66.4 125.2 -91.3 75.1 88.4 21 21 A L E -b 249 0B 3 227,-2.6 229,-1.9 -2,-0.4 2,-0.7 -0.735 16.0-141.9 -86.5 122.5 -88.2 74.3 90.4 22 22 A I E -b 250 0B 2 -2,-0.6 36,-3.5 34,-0.4 37,-1.4 -0.739 8.9-160.9 -86.1 115.3 -87.9 76.4 93.7 23 23 A M E -bc 251 59B 1 227,-3.4 229,-2.4 -2,-0.7 2,-0.4 -0.850 14.6-149.2 -89.9 119.1 -84.4 77.5 94.6 24 24 A G E -bc 252 60B 0 35,-3.0 37,-2.8 -2,-0.7 2,-0.7 -0.723 10.2-128.9 -95.3 135.2 -84.3 78.4 98.3 25 25 A I E - c 0 61B 17 227,-2.0 2,-0.4 -2,-0.4 37,-0.1 -0.697 19.6-140.7 -88.7 110.9 -82.0 81.1 99.5 26 26 A L - 0 0 7 35,-2.2 2,-0.4 -2,-0.7 37,-0.3 -0.503 12.8-134.8 -69.7 125.0 -80.0 79.9 102.4 27 27 A N - 0 0 89 -2,-0.4 21,-0.1 17,-0.2 22,-0.1 -0.690 22.3-171.5 -87.0 141.0 -79.6 82.5 104.9 28 28 A V + 0 0 24 -2,-0.4 -1,-0.1 2,-0.0 17,-0.1 0.204 8.6 175.8-127.7 14.1 -76.0 82.5 105.9 29 29 A T - 0 0 116 1,-0.1 15,-0.1 15,-0.1 16,-0.1 0.095 28.2-137.4 -26.3 103.7 -75.4 84.9 109.0 30 30 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.227 16.1-105.1 -66.0 159.7 -71.7 84.4 110.0 31 31 A D > - 0 0 41 1,-0.1 3,-0.9 3,-0.0 5,-0.1 -0.712 24.4-141.1 -77.9 138.8 -70.3 84.1 113.5 32 32 A S T 3 S+ 0 0 115 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.675 98.0 44.1 -80.6 -15.3 -68.6 87.4 114.5 33 33 A F T 3 S+ 0 0 211 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.060 104.5 81.1-115.2 28.1 -65.8 85.7 116.4 34 34 A S < - 0 0 33 -3,-0.9 3,-0.1 4,-0.0 -3,-0.0 -0.956 66.8-139.5-146.0 160.2 -64.9 83.0 113.8 35 35 A D S S- 0 0 117 1,-0.5 2,-0.1 -2,-0.3 -3,-0.1 0.028 76.9 -76.0-101.5 20.8 -63.1 82.1 110.6 36 36 A G S S+ 0 0 19 -5,-0.1 -1,-0.5 43,-0.1 43,-0.2 -0.131 106.9 70.1 98.2 160.4 -66.0 79.9 109.4 37 37 A G + 0 0 12 42,-0.4 269,-2.8 1,-0.2 270,-0.2 0.353 62.2 149.0 82.9 -3.1 -67.1 76.3 110.4 38 38 A S B > -J 305 0C 26 267,-0.2 4,-1.9 268,-0.1 5,-0.3 -0.148 54.7-119.6 -66.3 154.9 -68.4 77.2 113.8 39 39 A Y H > S+ 0 0 9 265,-1.8 4,-3.2 2,-0.2 5,-0.3 0.954 107.0 51.7 -73.4 -40.8 -71.3 75.3 115.4 40 40 A N H > S+ 0 0 102 1,-0.2 4,-1.4 264,-0.2 -1,-0.2 0.922 116.6 39.9 -54.8 -47.9 -73.9 78.2 115.8 41 41 A E H > S+ 0 0 12 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.806 117.9 46.0 -78.9 -35.3 -73.5 79.3 112.2 42 42 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.908 113.4 49.6 -66.1 -47.9 -73.4 75.8 110.6 43 43 A D H X S+ 0 0 17 -4,-3.2 4,-2.6 -5,-0.3 5,-0.2 0.866 109.1 52.9 -62.6 -25.8 -76.3 74.5 112.6 44 44 A A H X S+ 0 0 40 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.871 110.2 48.6 -82.7 -26.8 -78.4 77.6 111.7 45 45 A A H X S+ 0 0 1 -4,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.901 112.9 45.7 -67.2 -53.1 -77.8 77.0 108.0 46 46 A V H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.918 113.3 50.0 -57.1 -49.4 -78.6 73.3 108.2 47 47 A R H X S+ 0 0 143 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.920 113.8 46.8 -58.8 -40.4 -81.8 74.0 110.3 48 48 A H H X S+ 0 0 28 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.904 111.7 49.2 -69.2 -39.4 -82.8 76.6 107.7 49 49 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.873 111.5 50.7 -63.3 -39.5 -82.0 74.3 104.7 50 50 A K H X S+ 0 0 69 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.905 109.4 50.3 -63.6 -46.5 -84.1 71.6 106.4 51 51 A E H X S+ 0 0 101 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.922 113.8 45.5 -56.4 -43.1 -87.0 74.0 106.9 52 52 A M H X>S+ 0 0 1 -4,-2.3 5,-2.5 2,-0.2 4,-0.8 0.912 109.2 53.9 -73.9 -40.2 -86.7 75.0 103.2 53 53 A R H ><5S+ 0 0 90 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.972 112.0 47.4 -47.3 -51.8 -86.5 71.3 102.1 54 54 A D H 3<5S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.707 108.0 55.6 -67.1 -20.4 -89.7 70.7 104.1 55 55 A E H 3<5S- 0 0 60 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.540 130.2 -83.8 -92.4 -5.7 -91.4 73.8 102.6 56 56 A G T <<5S+ 0 0 25 -3,-1.3 -34,-0.4 -4,-0.8 -3,-0.2 0.518 71.0 155.9 119.5 12.6 -90.9 72.7 99.0 57 57 A A < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.1 -34,-0.2 -0.422 22.1-172.8 -66.1 143.4 -87.4 73.8 98.0 58 58 A H S S+ 0 0 36 -36,-3.5 2,-0.3 1,-0.3 -35,-0.2 0.612 74.1 24.1-106.2 -16.5 -85.8 71.8 95.1 59 59 A I E -c 23 0B 1 -37,-1.4 -35,-3.0 34,-0.2 2,-0.5 -0.982 69.0-140.0-149.9 139.7 -82.4 73.4 95.3 60 60 A I E -cd 24 95B 0 34,-2.5 36,-2.5 -2,-0.3 2,-0.5 -0.967 15.9-152.0-108.0 122.6 -80.5 75.1 98.1 61 61 A D E -cd 25 96B 2 -37,-2.8 -35,-2.2 -2,-0.5 2,-0.5 -0.810 13.7-169.7 -96.4 125.7 -78.5 78.2 97.1 62 62 A I E - d 0 97B 0 34,-3.3 36,-2.9 -2,-0.5 2,-0.4 -0.942 0.5-167.1-124.9 120.1 -75.4 78.9 99.3 63 63 A G E - d 0 98B 9 -2,-0.5 3,-0.1 -37,-0.3 36,-0.1 -0.894 24.3-154.4-114.6 142.5 -73.3 82.1 99.2 64 64 A G S S+ 0 0 0 34,-0.8 2,-0.3 -2,-0.4 -1,-0.1 0.778 90.9 25.7 -72.8 -28.5 -69.9 83.0 100.7 65 65 A E 0 0 77 33,-0.3 -1,-0.2 1,-0.1 5,-0.0 -0.981 360.0 360.0-141.4 121.9 -70.8 86.8 100.7 66 66 A S 0 0 146 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.611 360.0 360.0-117.2 360.0 -74.3 88.6 101.0 67 ! 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 68 71 A F 0 0 127 0, 0.0 2,-0.1 0, 0.0 -39,-0.0 0.000 360.0 360.0 360.0 -69.0 -71.7 90.9 107.5 69 72 A A - 0 0 65 1,-0.1 2,-0.2 -4,-0.0 -37,-0.0 -0.335 360.0-104.2 -76.0 143.6 -67.9 91.1 107.8 70 73 A K - 0 0 107 -2,-0.1 2,-0.3 -5,-0.0 -1,-0.1 -0.480 45.0-167.4 -67.7 130.6 -65.6 91.7 104.8 71 74 A V - 0 0 26 -2,-0.2 2,-0.1 4,-0.0 -1,-0.0 -0.887 18.3-131.0-121.5 151.1 -63.8 88.5 103.7 72 75 A S > - 0 0 58 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.420 41.7 -99.3 -79.7 168.8 -61.0 87.5 101.4 73 76 A V H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.898 129.9 51.2 -51.0 -43.6 -61.3 84.7 98.8 74 77 A E H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 112.1 44.2 -61.6 -44.2 -59.5 82.5 101.4 75 78 A E H > S+ 0 0 74 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.833 109.6 56.4 -73.4 -34.8 -62.0 83.6 104.1 76 79 A E H X S+ 0 0 5 -4,-3.2 4,-2.1 2,-0.2 5,-0.2 0.858 107.7 50.2 -61.0 -38.7 -65.0 83.1 101.7 77 80 A I H X S+ 0 0 15 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.940 106.9 52.9 -64.6 -46.0 -63.8 79.5 101.2 78 81 A K H < S+ 0 0 100 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.778 113.9 44.3 -65.1 -27.3 -63.5 78.8 104.9 79 82 A R H X S+ 0 0 26 -4,-1.4 4,-0.7 -43,-0.2 -42,-0.4 0.928 119.7 37.3 -75.1 -51.8 -67.2 80.0 105.5 80 83 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.848 106.3 63.4 -79.1 -30.1 -68.9 78.3 102.6 81 84 A V H X S+ 0 0 27 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.917 103.5 47.1 -67.0 -46.7 -67.0 75.0 102.5 82 85 A P H > S+ 0 0 27 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.730 112.9 50.5 -60.1 -26.2 -68.2 73.8 106.0 83 86 A M H X S+ 0 0 5 -4,-0.7 4,-3.0 -3,-0.5 5,-0.2 0.890 108.1 50.9 -82.3 -42.2 -71.8 74.7 105.3 84 87 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.881 111.5 49.6 -55.0 -43.0 -71.8 72.9 102.0 85 88 A Q H X S+ 0 0 97 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.928 115.7 42.1 -65.4 -45.6 -70.5 69.8 103.7 86 89 A A H X S+ 0 0 7 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.914 117.0 45.7 -64.4 -45.3 -73.1 69.9 106.5 87 90 A V H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.931 114.5 48.0 -69.3 -41.7 -76.1 70.8 104.3 88 91 A S H < S+ 0 0 23 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.793 114.9 45.7 -71.1 -30.5 -75.2 68.2 101.6 89 92 A K H < S+ 0 0 153 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.927 124.4 33.4 -67.8 -47.9 -74.8 65.5 104.3 90 93 A E H < S+ 0 0 30 -4,-2.5 2,-0.4 -5,-0.2 -2,-0.2 0.631 116.0 49.6 -94.0 -16.0 -77.9 66.5 106.1 91 94 A V < - 0 0 1 -4,-2.8 2,-1.7 -5,-0.1 -1,-0.1 -0.988 69.9-142.9-128.2 117.1 -80.3 67.6 103.4 92 95 A K + 0 0 129 -2,-0.4 -4,-0.1 -3,-0.0 -3,-0.1 -0.531 64.8 101.8 -83.0 74.5 -81.0 65.5 100.3 93 96 A L S S- 0 0 24 -2,-1.7 -34,-0.2 -6,-0.1 -2,-0.1 -0.955 79.4 -93.5-147.6 147.4 -81.4 68.4 97.7 94 97 A P - 0 0 3 0, 0.0 -34,-2.5 0, 0.0 2,-0.4 -0.419 39.8-140.9 -64.1 146.8 -78.9 69.8 95.1 95 98 A I E -d 60 0B 0 17,-0.3 19,-2.9 -36,-0.2 20,-1.7 -0.905 8.5-157.3-111.4 135.0 -76.8 72.7 96.2 96 99 A S E -de 61 115B 0 -36,-2.5 -34,-3.3 -2,-0.4 2,-0.6 -0.904 13.9-140.4-103.6 141.2 -75.9 75.7 94.2 97 100 A I E -de 62 116B 0 18,-2.3 20,-3.1 -2,-0.4 2,-1.1 -0.938 11.1-144.2-107.4 119.3 -72.8 77.7 95.2 98 101 A D E +de 63 117B 29 -36,-2.9 -34,-0.8 -2,-0.6 -33,-0.3 -0.734 52.5 116.3 -88.1 92.5 -73.4 81.4 94.7 99 102 A T - 0 0 2 -2,-1.1 21,-0.2 18,-1.0 -2,-0.1 -0.985 52.3-158.6-152.2 158.5 -70.1 82.8 93.6 100 103 A Y S S+ 0 0 69 -2,-0.3 2,-0.4 18,-0.2 25,-0.2 0.256 71.1 99.1-114.7 6.8 -68.4 84.5 90.6 101 104 A K > - 0 0 18 1,-0.1 4,-2.4 27,-0.1 5,-0.2 -0.804 67.0-144.2-103.8 133.5 -64.9 83.3 91.7 102 105 A A H > S+ 0 0 13 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.872 98.9 45.4 -62.5 -42.5 -63.2 80.3 90.1 103 106 A E H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.837 112.4 51.0 -74.0 -37.4 -61.4 79.0 93.2 104 107 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.930 111.1 49.5 -62.1 -44.0 -64.5 79.4 95.4 105 108 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.907 109.9 52.0 -63.0 -40.3 -66.5 77.5 92.8 106 109 A K H X S+ 0 0 77 -4,-2.0 4,-2.2 1,-0.2 3,-0.2 0.952 112.9 42.0 -60.6 -56.4 -63.9 74.7 92.7 107 110 A Q H X S+ 0 0 67 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.830 111.1 57.7 -56.8 -39.7 -63.7 74.2 96.5 108 111 A A H <>S+ 0 0 0 -4,-2.1 5,-3.1 -5,-0.2 -1,-0.2 0.872 110.8 42.3 -64.6 -34.7 -67.5 74.4 96.8 109 112 A I H ><5S+ 0 0 21 -4,-1.8 3,-1.7 3,-0.3 -2,-0.2 0.905 112.5 52.6 -75.2 -40.7 -68.0 71.6 94.3 110 113 A E H 3<5S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.747 110.1 51.3 -66.1 -22.7 -65.2 69.5 95.9 111 114 A A T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.423 138.2 -80.7 -92.5 -2.2 -67.0 70.1 99.2 112 115 A G T < 5S+ 0 0 23 -3,-1.7 -17,-0.3 1,-0.3 -3,-0.3 0.419 77.0 144.1 124.3 1.8 -70.4 68.9 97.6 113 116 A A < - 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