==== 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 3H2A . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 538 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.4 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 . 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 . 47 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 0 0 0 2 0 4 2 0 0 2 0 2 1 1 2 2 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 1 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 . 3 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 0 180 0, 0.0 2,-0.5 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -54.1 -89.5 69.3 75.7 2 3 A W - 0 0 32 1,-0.1 14,-0.1 2,-0.0 13,-0.1 -0.959 360.0-161.5-101.6 129.9 -86.0 68.6 77.3 3 4 A D S S+ 0 0 148 -2,-0.5 2,-0.3 12,-0.1 -1,-0.1 0.388 70.4 42.3 -94.3 4.0 -84.5 65.5 75.7 4 5 A Y S S- 0 0 30 164,-0.0 11,-0.5 3,-0.0 2,-0.3 -0.919 77.4-117.7-142.2 164.2 -82.1 64.9 78.5 5 6 A D - 0 0 69 -2,-0.3 2,-0.8 9,-0.1 9,-0.2 -0.777 33.9-107.7-100.9 148.0 -81.8 65.0 82.3 6 7 A L E -A 13 0A 1 7,-3.3 7,-3.4 -2,-0.3 2,-0.5 -0.697 40.0-148.5 -76.4 112.0 -79.6 67.3 84.4 7 8 A R E +A 12 0A 117 -2,-0.8 5,-0.2 161,-0.2 3,-0.1 -0.751 26.5 169.9 -92.6 126.5 -77.0 64.9 85.6 8 9 A C E > -A 11 0A 4 3,-2.5 3,-1.9 -2,-0.5 2,-0.7 -0.420 52.2-102.2-134.9 55.0 -75.4 65.6 89.0 9 10 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 97,-0.1 97,-0.0 -0.488 110.0 10.5 62.8-106.8 -73.3 62.6 90.0 10 11 A E T 3 S+ 0 0 114 -2,-0.7 -1,-0.3 -3,-0.1 2,-0.3 0.773 130.1 57.9 -74.3 -27.3 -75.5 60.7 92.4 11 12 A Y E < -A 8 0A 33 -3,-1.9 -3,-2.5 74,-0.0 2,-0.4 -0.722 65.3-159.9-105.8 155.6 -78.6 62.8 91.8 12 13 A T E -A 7 0A 69 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.993 5.9-152.9-136.2 126.9 -80.4 63.4 88.5 13 14 A L E -A 6 0A 16 -7,-3.4 -7,-3.3 -2,-0.4 2,-0.3 -0.892 8.2-147.6-106.6 112.8 -82.7 66.4 87.9 14 15 A N - 0 0 52 -2,-0.7 4,-0.5 -9,-0.2 -9,-0.1 -0.629 5.8-158.6 -72.1 131.3 -85.5 65.9 85.3 15 16 A L S S+ 0 0 2 -11,-0.5 -1,-0.1 -2,-0.3 5,-0.1 0.367 82.7 49.0 -96.3 2.9 -86.2 69.2 83.6 16 17 A N S S+ 0 0 49 -14,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.724 94.2 67.8-114.0 -33.6 -89.7 68.5 82.4 17 18 A E S S- 0 0 115 1,-0.2 2,-0.3 2,-0.0 -2,-0.1 0.903 112.7 -25.9 -57.5 -48.9 -91.5 67.2 85.4 18 19 A K S S- 0 0 69 -4,-0.5 2,-0.4 222,-0.1 -1,-0.2 -0.980 72.5 -76.4-162.5 160.4 -91.5 70.4 87.4 19 20 A T - 0 0 3 -2,-0.3 2,-0.4 235,-0.2 222,-0.2 -0.628 53.7-131.7 -66.8 122.4 -89.9 73.8 88.2 20 21 A L E -b 241 0B 4 220,-2.7 222,-2.0 -2,-0.4 2,-0.5 -0.681 15.7-139.0 -85.1 130.7 -86.8 72.8 90.2 21 22 A I E -b 242 0B 3 -2,-0.4 35,-3.5 33,-0.4 36,-1.6 -0.789 9.4-158.8 -98.0 123.2 -86.4 74.9 93.4 22 23 A M E -bc 243 57B 0 220,-3.4 222,-2.7 -2,-0.5 2,-0.4 -0.921 14.2-146.3-103.0 114.9 -83.0 76.1 94.4 23 24 A G E -bc 244 58B 0 34,-3.0 36,-3.0 -2,-0.7 2,-0.9 -0.660 8.8-133.6 -82.7 129.3 -82.8 76.9 98.1 24 25 A I E - c 0 59B 15 220,-2.2 2,-0.4 -2,-0.4 36,-0.1 -0.741 19.7-146.1 -85.9 105.5 -80.5 79.7 99.2 25 26 A L - 0 0 7 34,-2.0 36,-0.5 -2,-0.9 2,-0.3 -0.584 11.5-133.0 -69.6 122.4 -78.6 78.5 102.2 26 27 A N - 0 0 87 -2,-0.4 20,-0.1 16,-0.1 21,-0.1 -0.660 19.9-168.9 -79.1 134.1 -77.9 81.3 104.7 27 28 A V + 0 0 29 -2,-0.3 -1,-0.1 35,-0.0 16,-0.1 -0.018 9.9 175.2-123.9 25.1 -74.3 81.0 105.6 28 29 A T - 0 0 112 1,-0.1 2,-0.2 14,-0.1 14,-0.1 -0.095 27.0-141.1 -36.6 112.2 -74.0 83.4 108.5 29 30 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.497 11.9-106.9 -84.3 155.2 -70.3 82.9 109.6 30 31 A D - 0 0 42 -2,-0.2 6,-0.0 1,-0.1 0, 0.0 -0.592 16.1-145.1 -72.9 140.5 -69.0 82.8 113.1 31 32 A S S S+ 0 0 134 -2,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.835 100.1 56.7 -72.4 -32.6 -67.0 85.9 114.1 32 33 A F 0 0 109 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.854 360.0 360.0 -67.6 -38.5 -64.7 83.6 116.2 33 34 A S 0 0 76 38,-0.0 -2,-0.2 3,-0.0 -1,-0.1 0.682 360.0 360.0-107.2 360.0 -63.7 81.4 113.2 34 ! 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 35 37 A G 0 0 36 0, 0.0 279,-2.1 0, 0.0 280,-0.3 0.000 360.0 360.0 360.0 46.7 -65.8 75.3 109.9 36 38 A S B > -J 313 0C 27 277,-0.3 4,-2.3 278,-0.1 5,-0.3 -0.367 360.0-112.1 -83.0 161.0 -67.0 75.9 113.5 37 39 A Y H > S+ 0 0 8 275,-2.4 4,-1.9 1,-0.2 5,-0.2 0.854 111.1 49.9 -64.4 -42.4 -69.9 74.0 115.1 38 40 A N H > S+ 0 0 100 274,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 115.6 41.4 -65.3 -40.6 -72.4 76.9 115.3 39 41 A E H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.929 118.2 43.8 -78.3 -44.0 -72.1 78.0 111.7 40 42 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.861 115.6 50.0 -65.7 -36.2 -72.0 74.5 110.1 41 43 A D H X S+ 0 0 25 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.873 109.6 48.7 -69.7 -39.2 -74.8 73.3 112.3 42 44 A A H X S+ 0 0 54 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.836 113.4 50.5 -71.0 -28.8 -77.1 76.3 111.5 43 45 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.938 111.1 45.8 -67.6 -53.0 -76.3 75.6 107.8 44 46 A V H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.865 113.8 50.9 -56.1 -37.4 -77.1 71.9 108.0 45 47 A R H X S+ 0 0 143 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.898 111.4 46.8 -72.9 -40.6 -80.3 72.8 109.9 46 48 A H H X S+ 0 0 25 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.908 112.1 49.8 -65.9 -42.5 -81.3 75.3 107.3 47 49 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.862 110.9 50.7 -63.9 -38.2 -80.6 72.9 104.5 48 50 A K H X S+ 0 0 74 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.911 110.2 49.2 -64.6 -45.8 -82.6 70.2 106.2 49 51 A E H X S+ 0 0 94 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.958 112.1 48.1 -59.5 -48.7 -85.5 72.6 106.6 50 52 A M H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.5 0.892 110.5 51.6 -61.5 -40.5 -85.3 73.6 102.9 51 53 A R H ><5S+ 0 0 87 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.941 109.3 51.5 -57.8 -47.9 -85.2 69.9 101.9 52 54 A D H 3<5S+ 0 0 118 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.802 110.0 49.0 -58.8 -33.4 -88.3 69.3 104.0 53 55 A E T 3<5S- 0 0 60 -4,-1.8 -1,-0.2 -5,-0.2 198,-0.2 0.374 130.6 -79.9 -99.4 11.2 -90.2 72.2 102.4 54 56 A G T < 5S+ 0 0 27 -3,-1.2 -33,-0.4 -4,-0.5 -3,-0.2 0.536 70.8 151.8 118.5 13.0 -89.5 71.3 98.7 55 57 A A < - 0 0 6 -5,-2.4 -1,-0.3 -6,-0.1 -33,-0.2 -0.454 23.5-169.1 -73.7 146.4 -86.0 72.5 97.6 56 58 A H S S+ 0 0 33 -35,-3.5 2,-0.3 1,-0.4 -34,-0.2 0.656 73.6 23.7-107.6 -21.3 -84.4 70.4 94.9 57 59 A I E S-c 22 0B 1 -36,-1.6 -34,-3.0 28,-0.2 2,-0.6 -0.982 70.9-136.9-141.1 143.5 -80.9 71.9 95.1 58 60 A I E -cd 23 87B 0 28,-2.6 30,-2.1 -2,-0.3 2,-0.6 -0.944 16.6-150.7-103.8 121.6 -79.1 73.6 98.0 59 61 A D E -cd 24 88B 1 -36,-3.0 -34,-2.0 -2,-0.6 2,-0.6 -0.801 13.9-169.2 -92.2 116.8 -77.2 76.7 96.9 60 62 A I E - d 0 89B 0 28,-2.7 30,-2.4 -2,-0.6 2,-0.2 -0.911 2.0-167.3-117.9 116.1 -74.1 77.4 99.1 61 63 A G E d 0 90B 15 -2,-0.6 30,-0.1 -36,-0.5 28,-0.0 -0.649 360.0 360.0-103.1 155.4 -72.1 80.6 99.0 62 64 A G 0 0 45 28,-0.9 6,-0.1 -2,-0.2 7,-0.1 -0.669 360.0 360.0 -83.2 360.0 -68.7 81.7 100.4 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 75 A S > 0 0 112 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 114.0 -59.8 86.3 100.7 65 76 A V H > + 0 0 47 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.855 360.0 47.9 -63.0 -42.2 -59.8 83.2 98.4 66 77 A E H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 114.9 47.3 -65.6 -39.6 -58.1 80.8 100.9 67 78 A E H > S+ 0 0 39 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.817 105.9 58.4 -70.4 -34.3 -60.5 82.0 103.6 68 79 A E H X S+ 0 0 27 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.899 108.7 46.1 -60.2 -42.4 -63.5 81.6 101.3 69 80 A I H X S+ 0 0 21 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.902 107.4 56.9 -67.0 -44.1 -62.7 77.9 100.8 70 81 A K H < S+ 0 0 149 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 113.6 41.6 -58.1 -30.1 -62.1 77.4 104.6 71 82 A R H X S+ 0 0 90 -4,-1.3 4,-0.7 -3,-0.1 -2,-0.2 0.863 121.7 36.3 -84.9 -40.7 -65.7 78.7 105.2 72 83 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.844 105.5 65.1 -88.5 -33.1 -67.6 77.0 102.4 73 84 A V H X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.928 102.4 47.8 -55.7 -52.7 -65.8 73.6 102.2 74 85 A P H > S+ 0 0 26 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.867 111.5 51.7 -57.1 -40.7 -66.9 72.4 105.7 75 86 A M H X S+ 0 0 1 -4,-0.7 4,-2.3 2,-0.2 5,-0.2 0.836 109.5 48.4 -65.0 -37.3 -70.5 73.4 105.0 76 87 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 -3,-0.3 5,-0.3 0.912 111.5 51.4 -67.4 -44.6 -70.5 71.4 101.7 77 88 A Q H X S+ 0 0 99 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.900 115.2 41.6 -54.4 -43.5 -69.0 68.4 103.5 78 89 A A H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.894 119.5 41.9 -77.2 -41.4 -71.7 68.5 106.3 79 90 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 6,-0.2 0.903 111.3 56.1 -71.6 -44.0 -74.7 69.3 104.0 80 91 A S H < S+ 0 0 28 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.884 115.4 39.3 -52.4 -43.4 -73.6 66.8 101.4 81 92 A K H < S+ 0 0 170 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.914 124.6 35.8 -72.7 -44.7 -73.5 64.1 104.0 82 93 A E H < S+ 0 0 36 -4,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.679 115.4 49.9 -94.3 -19.4 -76.6 65.0 106.0 83 94 A V S < S- 0 0 0 -4,-3.1 2,-2.1 -5,-0.1 -1,-0.2 -0.966 72.5-143.8-125.3 112.9 -79.0 66.3 103.2 84 95 A K + 0 0 130 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.477 63.4 105.0 -77.9 74.8 -79.5 64.1 100.1 85 96 A L S S- 0 0 25 -2,-2.1 -28,-0.2 -6,-0.2 -2,-0.1 -0.976 77.8 -91.8-148.9 151.5 -79.8 66.9 97.5 86 97 A P - 0 0 2 0, 0.0 -28,-2.6 0, 0.0 2,-0.5 -0.428 39.5-145.1 -65.3 141.9 -77.5 68.3 94.8 87 98 A I E -d 58 0B 0 17,-0.3 19,-4.1 -30,-0.2 20,-1.9 -0.950 8.2-160.0-111.9 128.7 -75.3 71.2 96.1 88 99 A S E -de 59 107B 0 -30,-2.1 -28,-2.7 -2,-0.5 2,-0.6 -0.847 15.7-136.4 -96.9 142.4 -74.4 74.1 93.9 89 100 A I E -de 60 108B 0 18,-2.7 20,-3.4 -2,-0.4 2,-1.4 -0.906 8.7-144.5 -99.8 125.1 -71.5 76.2 94.8 90 101 A D E +de 61 109B 38 -30,-2.4 -28,-0.9 -2,-0.6 2,-0.3 -0.657 54.1 120.2 -90.0 78.9 -72.1 80.0 94.5 91 102 A T - 0 0 3 -2,-1.4 21,-0.2 18,-0.5 -2,-0.1 -0.983 49.9-165.2-137.3 155.2 -68.6 81.1 93.4 92 103 A Y S S+ 0 0 75 -2,-0.3 2,-0.4 18,-0.2 25,-0.2 0.361 70.9 96.9-108.5 -1.6 -67.0 83.0 90.4 93 104 A K > - 0 0 29 1,-0.1 4,-2.0 23,-0.1 5,-0.1 -0.735 67.4-146.4 -95.6 135.4 -63.5 81.9 91.5 94 105 A A H > S+ 0 0 12 -2,-0.4 4,-2.6 2,-0.2 -1,-0.1 0.922 98.3 48.5 -68.6 -46.2 -62.0 78.8 89.9 95 106 A E H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 111.1 51.3 -61.4 -40.0 -60.0 77.6 92.9 96 107 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 111.4 48.0 -63.0 -42.3 -63.1 78.0 95.1 97 108 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.917 109.2 53.4 -65.1 -44.7 -65.2 75.9 92.6 98 109 A K H X S+ 0 0 73 -4,-2.6 4,-2.1 1,-0.2 3,-0.4 0.972 112.1 43.8 -51.9 -61.7 -62.5 73.2 92.4 99 110 A Q H X S+ 0 0 56 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.840 111.5 55.3 -51.0 -42.1 -62.4 72.7 96.2 100 111 A A H X>S+ 0 0 0 -4,-2.0 5,-3.3 2,-0.2 4,-0.6 0.870 109.4 43.4 -66.5 -40.7 -66.2 72.8 96.5 101 112 A I H <5S+ 0 0 24 -4,-2.1 3,-0.5 -3,-0.4 -1,-0.2 0.871 113.7 53.8 -69.6 -37.4 -66.8 70.0 94.0 102 113 A E H <5S+ 0 0 121 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.776 109.1 49.0 -60.5 -33.2 -64.0 68.1 95.7 103 114 A A H <5S- 0 0 15 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.589 138.9 -79.9 -83.4 -16.5 -65.8 68.7 99.0 104 115 A G T <5S+ 0 0 21 -4,-0.6 -17,-0.3 -3,-0.5 -3,-0.3 0.420 78.0 145.2 130.6 2.1 -69.1 67.4 97.5 105 116 A A < - 0 0 4 -5,-3.3 -1,-0.3 -6,-0.1 -17,-0.2 -0.446 27.0-167.6 -71.8 145.4 -70.7 70.2 95.4 106 117 A H + 0 0 17 -19,-4.1 2,-0.3 1,-0.2 -18,-0.2 0.685 65.0 33.7-106.4 -24.4 -72.6 69.1 92.3 107 118 A I E S-e 88 0B 1 -20,-1.9 -18,-2.7 22,-0.2 2,-0.5 -0.968 70.1-131.9-139.5 141.8 -73.3 72.2 90.3 108 119 A I E -ef 89 131B 0 22,-2.8 24,-3.1 -2,-0.3 2,-0.6 -0.882 14.0-162.5-100.4 134.3 -71.3 75.5 89.8 109 120 A N E -ef 90 132B 4 -20,-3.4 2,-0.7 -2,-0.5 -18,-0.5 -0.867 12.3-176.2-116.6 95.3 -73.2 78.7 90.3 110 121 A D E > - f 0 133B 0 22,-1.9 24,-1.6 -2,-0.6 3,-1.2 -0.823 18.5-169.3-102.9 114.8 -71.2 81.5 88.7 111 122 A I T 3 S+ 0 0 38 -2,-0.7 -1,-0.1 1,-0.3 -19,-0.1 0.541 92.6 50.1 -77.0 -7.3 -72.5 85.1 89.0 112 123 A W T > S- 0 0 68 -21,-0.2 3,-2.5 5,-0.1 4,-0.4 0.196 105.2-127.8-115.3 15.5 -69.9 86.2 86.5 113 124 A G T < - 0 0 0 -3,-1.2 46,-0.2 1,-0.3 20,-0.1 0.829 68.7 -53.9 38.7 55.1 -70.7 83.6 83.8 114 125 A A T 3 S+ 0 0 0 3,-0.1 -1,-0.3 1,-0.1 7,-0.2 0.505 122.7 100.6 67.4 6.0 -67.1 82.4 83.4 115 126 A K S < S+ 0 0 68 -3,-2.5 -2,-0.2 2,-0.1 -1,-0.1 0.827 72.8 51.2 -92.8 -36.0 -65.9 85.9 82.7 116 127 A A S S+ 0 0 47 -4,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.902 134.5 10.3 -67.9 -41.3 -64.4 87.0 86.0 117 128 A E > - 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