==== 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 3H24 . COMPND 2 MOLECULE: DIHYDROPTEROATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. A2012; . AUTHOR M.-K.YUN,S.W.WHITE . 527 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23709.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 11.8 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 . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 35.5 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 0 6 0 0 0 1 1 2 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 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 0 195 0, 0.0 2,-0.5 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 -65.6 -89.1 68.9 76.6 2 3 A W - 0 0 28 1,-0.1 13,-0.1 2,-0.0 14,-0.1 -0.869 360.0-160.2 -87.4 137.3 -85.6 68.4 78.1 3 4 A D S S+ 0 0 160 -2,-0.5 2,-0.3 12,-0.0 -1,-0.1 0.358 70.4 46.1 -99.8 11.6 -84.3 65.1 76.7 4 5 A Y S S- 0 0 31 169,-0.0 11,-0.4 3,-0.0 2,-0.3 -0.900 75.7-126.3-146.0 156.6 -81.7 64.7 79.5 5 6 A D - 0 0 68 -2,-0.3 2,-0.4 9,-0.1 9,-0.2 -0.826 34.3 -98.4-106.5 156.1 -81.5 65.0 83.3 6 7 A L E -A 13 0A 0 7,-2.4 7,-2.2 -2,-0.3 2,-0.6 -0.599 38.8-145.7 -69.7 125.1 -79.2 67.0 85.4 7 8 A R E +A 12 0A 119 -2,-0.4 2,-0.4 166,-0.3 5,-0.2 -0.868 24.8 170.9 -99.4 120.9 -76.5 64.6 86.6 8 9 A C E > -A 11 0A 0 3,-2.6 3,-4.0 -2,-0.6 104,-0.1 -0.739 49.9-100.8-137.0 79.7 -75.2 65.4 90.1 9 10 A G T 3 S+ 0 0 62 -2,-0.4 -1,-0.3 1,-0.3 102,-0.0 -0.067 111.4 5.5 42.7-114.1 -72.9 62.6 91.2 10 11 A E T 3 S+ 0 0 131 -3,-0.1 -1,-0.3 80,-0.0 2,-0.3 0.757 128.4 69.0 -63.0 -24.4 -75.1 60.6 93.5 11 12 A Y E < -A 8 0A 36 -3,-4.0 -3,-2.6 79,-0.0 2,-0.5 -0.711 61.5-156.0-110.2 153.7 -78.3 62.7 92.7 12 13 A T E -A 7 0A 70 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.967 7.6-159.4-129.6 113.1 -80.4 63.0 89.5 13 14 A L E -A 6 0A 13 -7,-2.2 -7,-2.4 -2,-0.5 2,-0.3 -0.852 10.4-146.2-101.2 114.8 -82.5 66.2 89.0 14 15 A N - 0 0 49 -2,-0.7 4,-0.5 -9,-0.2 -9,-0.1 -0.599 7.4-164.5 -78.1 133.6 -85.4 65.8 86.5 15 16 A L S S+ 0 0 5 -11,-0.4 -1,-0.1 -2,-0.3 -10,-0.1 0.404 81.0 50.7 -98.7 1.7 -86.0 69.0 84.5 16 17 A N S S+ 0 0 60 -15,-0.1 -1,-0.2 -14,-0.1 3,-0.1 0.508 98.6 63.8-114.3 -9.6 -89.5 68.2 83.2 17 18 A E S S- 0 0 120 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.914 111.0 -15.5 -93.7 -46.3 -91.3 67.2 86.3 18 19 A K S S- 0 0 81 -4,-0.5 2,-0.4 227,-0.1 -1,-0.3 -0.978 73.7 -88.2-148.6 159.6 -91.4 70.2 88.5 19 20 A T - 0 0 2 -2,-0.3 2,-0.3 240,-0.2 227,-0.2 -0.660 54.9-127.6 -61.7 125.7 -89.8 73.6 88.9 20 21 A L E -b 246 0B 4 225,-2.5 227,-2.0 -2,-0.4 2,-0.6 -0.658 16.8-139.3 -85.6 135.7 -86.8 72.7 91.1 21 22 A I E -b 247 0B 3 -2,-0.3 36,-3.0 34,-0.3 37,-1.2 -0.799 10.4-161.3-103.4 122.8 -86.3 74.7 94.2 22 23 A M E -bc 248 58B 1 225,-3.0 227,-2.2 -2,-0.6 2,-0.4 -0.925 13.4-144.7-105.9 127.6 -82.9 75.8 95.3 23 24 A G E -bc 249 59B 0 35,-3.0 37,-2.6 -2,-0.6 2,-0.7 -0.708 11.6-131.6 -93.7 126.6 -82.7 76.8 99.0 24 25 A I E - c 0 60B 13 225,-2.3 2,-0.6 -2,-0.4 37,-0.1 -0.706 17.6-149.4 -82.8 117.5 -80.4 79.6 99.9 25 26 A L E - c 0 61B 6 35,-3.1 37,-0.7 -2,-0.7 2,-0.6 -0.808 9.0-145.4 -86.8 121.6 -78.2 78.5 102.8 26 27 A N - 0 0 93 -2,-0.6 2,-0.7 35,-0.1 21,-0.1 -0.784 8.5-148.4 -91.3 113.4 -77.3 81.5 105.0 27 28 A V - 0 0 33 -2,-0.6 14,-0.1 35,-0.4 13,-0.1 -0.753 11.0-169.9 -85.0 111.7 -73.7 81.2 106.4 28 29 A T - 0 0 98 -2,-0.7 2,-0.2 12,-0.3 16,-0.1 -0.845 17.2-148.1-104.8 98.2 -73.4 83.0 109.8 29 30 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 7,-0.1 -0.468 15.6-116.1 -73.2 134.9 -69.7 83.0 110.6 30 31 A D - 0 0 42 -2,-0.2 3,-0.5 5,-0.1 7,-0.0 -0.466 17.5-145.7 -55.0 134.7 -68.5 82.8 114.3 31 32 A S S S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 0.713 94.6 59.4 -76.2 -21.0 -66.8 86.0 115.1 32 33 A F S S+ 0 0 214 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.461 109.5 35.2 -97.7 -5.5 -64.3 84.2 117.4 33 34 A S - 0 0 46 -3,-0.5 0, 0.0 2,-0.1 0, 0.0 -0.859 55.9-148.0-134.5 176.9 -62.9 81.9 114.7 34 35 A D S S+ 0 0 82 -2,-0.3 -1,-0.1 -5,-0.0 -3,-0.0 0.449 82.8 53.6-115.5 -9.9 -61.9 81.8 111.0 35 36 A G S S- 0 0 17 41,-0.1 -5,-0.1 42,-0.0 2,-0.1 0.558 105.3 -55.7-100.9-129.0 -62.7 78.0 110.6 36 37 A G + 0 0 19 43,-0.1 266,-2.1 -7,-0.1 267,-0.3 -0.507 61.4 167.6-128.1 63.5 -65.5 75.5 111.1 37 38 A S B > -J 301 0C 19 264,-0.3 4,-1.7 -2,-0.1 5,-0.3 -0.164 49.8 -93.7 -78.6 172.4 -66.4 75.7 114.7 38 39 A Y H > S+ 0 0 9 262,-2.5 4,-2.9 1,-0.2 5,-0.3 0.890 115.6 51.9 -59.1 -47.1 -69.5 74.1 116.2 39 40 A N H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.917 111.3 42.1 -61.3 -50.6 -72.0 77.0 116.0 40 41 A E H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -12,-0.3 0.947 120.9 43.0 -61.1 -45.8 -71.6 78.0 112.3 41 42 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.872 115.1 47.0 -76.4 -36.0 -71.6 74.4 111.1 42 43 A D H X S+ 0 0 25 -4,-2.9 4,-3.0 -5,-0.3 -1,-0.2 0.921 113.6 48.4 -70.6 -44.3 -74.4 73.2 113.3 43 44 A A H X S+ 0 0 50 -4,-2.4 4,-3.1 -5,-0.3 5,-0.3 0.969 112.1 51.3 -55.5 -51.1 -76.6 76.2 112.5 44 45 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.948 112.2 44.7 -49.7 -54.8 -75.8 75.5 108.8 45 46 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.901 112.8 52.7 -56.5 -46.7 -76.8 71.8 109.1 46 47 A R H X S+ 0 0 148 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.935 111.4 45.8 -51.6 -52.0 -79.9 72.8 111.0 47 48 A H H X S+ 0 0 40 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.871 109.7 53.4 -64.0 -40.0 -81.0 75.2 108.3 48 49 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.866 108.9 50.4 -62.7 -37.3 -80.3 72.8 105.6 49 50 A K H X S+ 0 0 68 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.875 108.7 51.5 -70.0 -36.3 -82.5 70.2 107.3 50 51 A E H X S+ 0 0 102 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.965 111.2 47.4 -67.6 -40.9 -85.3 72.7 107.6 51 52 A M H <>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 4,-0.4 0.838 108.9 53.9 -70.1 -34.0 -85.1 73.5 104.0 52 53 A R H ><5S+ 0 0 88 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.939 109.6 49.0 -63.7 -46.2 -85.0 69.8 103.0 53 54 A D H 3<5S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.623 107.5 56.2 -67.2 -11.1 -88.2 69.3 105.0 54 55 A E T 3<5S- 0 0 63 -4,-0.7 -1,-0.2 -3,-0.3 202,-0.2 0.520 129.9 -82.9-102.4 -0.8 -89.9 72.3 103.4 55 56 A G T < 5S+ 0 0 29 -3,-1.2 -34,-0.3 -4,-0.4 -3,-0.2 0.474 72.2 153.6 118.1 9.1 -89.5 71.1 99.8 56 57 A A < - 0 0 6 -5,-2.7 -1,-0.3 -6,-0.1 -34,-0.2 -0.473 23.7-172.5 -76.5 144.6 -85.9 72.1 98.7 57 58 A H S S+ 0 0 36 -36,-3.0 2,-0.3 1,-0.3 -35,-0.2 0.562 72.9 26.4-104.7 -15.6 -84.2 70.1 96.0 58 59 A I E -c 22 0B 2 -37,-1.2 -35,-3.0 32,-0.1 2,-0.6 -0.975 67.9-140.0-149.2 136.0 -80.8 71.7 96.2 59 60 A I E -cd 23 92B 0 32,-2.0 34,-2.7 -2,-0.3 2,-0.5 -0.949 17.1-155.4-100.0 117.7 -78.9 73.4 99.0 60 61 A D E -cd 24 93B 1 -37,-2.6 -35,-3.1 -2,-0.6 2,-0.5 -0.822 12.2-172.9 -92.3 124.7 -76.9 76.5 97.8 61 62 A I E +cd 25 94B 0 32,-2.1 34,-2.2 -2,-0.5 2,-0.4 -0.961 6.2 175.2-128.8 114.5 -74.0 77.3 100.1 62 63 A G - 0 0 17 -37,-0.7 -35,-0.4 -2,-0.5 34,-0.1 -0.980 13.5-170.1-126.1 133.4 -71.9 80.5 99.6 63 64 A G S S+ 0 0 4 -2,-0.4 -1,-0.1 32,-0.3 33,-0.1 0.730 74.1 19.0 -92.8 -28.4 -69.0 81.8 101.8 64 65 A E S S+ 0 0 37 31,-0.3 32,-0.1 4,-0.1 -2,-0.0 0.844 91.6 90.5-109.7 -58.0 -67.9 85.5 100.9 65 66 A S 0 0 73 30,-0.3 -3,-0.1 1,-0.1 30,-0.0 0.343 360.0 360.0 -45.1 171.3 -70.6 87.5 98.8 66 67 A T 0 0 154 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.230 360.0 360.0 164.1 360.0 -73.4 89.7 100.2 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 74 A V 0 0 110 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 166.8 -63.3 88.1 101.8 69 75 A S - 0 0 43 1,-0.1 4,-0.1 0, 0.0 -5,-0.0 -0.629 360.0-127.0-117.8-165.7 -60.0 86.2 101.5 70 76 A V S > S+ 0 0 78 -2,-0.2 4,-1.4 2,-0.1 -1,-0.1 0.780 110.5 43.5-100.1 -53.5 -59.1 83.2 99.3 71 77 A E H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.859 115.1 51.4 -52.3 -45.2 -57.8 81.0 102.1 72 78 A E H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.820 99.8 61.8 -66.7 -37.4 -60.6 82.0 104.3 73 79 A E H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 110.1 41.6 -57.4 -43.8 -63.3 81.2 101.8 74 80 A I H X S+ 0 0 9 -4,-1.4 4,-3.8 1,-0.2 3,-0.3 0.982 110.7 53.2 -68.7 -59.5 -62.3 77.5 101.8 75 81 A K H < S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.740 120.1 37.4 -46.0 -29.0 -61.7 77.1 105.6 76 82 A R H < S+ 0 0 48 -4,-1.6 4,-0.4 -5,-0.1 -1,-0.2 0.725 122.8 39.5 -98.2 -28.6 -65.2 78.5 106.1 77 83 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 -3,-0.3 -3,-0.2 0.866 107.2 62.5 -86.1 -37.3 -67.0 76.9 103.2 78 84 A V H X S+ 0 0 15 -4,-3.8 4,-2.1 1,-0.2 5,-0.2 0.914 100.0 50.4 -59.8 -50.9 -65.3 73.5 103.3 79 85 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.883 110.5 52.6 -58.0 -34.5 -66.5 72.3 106.8 80 86 A M H > S+ 0 0 2 -4,-0.4 4,-2.3 2,-0.2 5,-0.3 0.911 106.3 49.9 -67.4 -42.2 -70.1 73.2 105.9 81 87 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.928 110.9 52.9 -58.4 -42.0 -70.2 71.2 102.6 82 88 A Q H X S+ 0 0 98 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.949 113.9 40.3 -56.2 -52.2 -68.8 68.2 104.6 83 89 A A H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.910 117.9 44.8 -68.7 -41.8 -71.5 68.3 107.3 84 90 A V H X S+ 0 0 1 -4,-2.3 4,-3.4 1,-0.2 6,-0.2 0.899 111.8 54.8 -74.1 -44.8 -74.5 69.1 105.1 85 91 A S H < S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.909 115.0 38.3 -38.4 -57.4 -73.4 66.5 102.6 86 92 A K H < S+ 0 0 185 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.810 125.9 37.6 -72.5 -32.6 -73.3 63.8 105.3 87 93 A E H < S+ 0 0 36 -4,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.769 114.1 50.8-101.4 -18.0 -76.4 64.9 107.2 88 94 A V S < S- 0 0 0 -4,-3.4 2,-2.1 -5,-0.2 -1,-0.2 -0.960 70.5-143.9-121.7 118.1 -78.7 66.1 104.4 89 95 A K + 0 0 164 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.447 64.6 97.9 -77.1 69.4 -79.5 63.8 101.4 90 96 A L S S- 0 0 24 -2,-2.1 -32,-0.1 -6,-0.2 -2,-0.1 -0.988 80.2 -91.5-151.7 148.1 -79.7 66.4 98.6 91 97 A P - 0 0 3 0, 0.0 -32,-2.0 0, 0.0 2,-0.5 -0.281 41.7-144.9 -59.9 144.9 -77.3 67.8 95.9 92 98 A I E -d 59 0B 0 17,-0.4 19,-3.1 -34,-0.2 20,-1.6 -0.921 8.0-157.7-112.7 134.6 -75.4 70.9 97.1 93 99 A S E -de 60 112B 0 -34,-2.7 -32,-2.1 -2,-0.5 2,-0.4 -0.832 12.6-141.6-103.7 158.1 -74.4 73.8 94.9 94 100 A I E -de 61 113B 0 18,-1.9 20,-2.9 -2,-0.3 2,-0.9 -0.964 7.6-142.6-123.9 137.1 -71.5 76.0 95.9 95 101 A D + 0 0 24 -34,-2.2 -31,-0.3 -2,-0.4 2,-0.3 -0.711 50.9 111.4-112.0 82.7 -71.7 79.7 95.4 96 102 A T - 0 0 3 -2,-0.9 21,-0.1 18,-0.4 -2,-0.1 -0.963 52.8-152.5-150.3 158.3 -68.4 81.1 94.3 97 103 A Y S S+ 0 0 74 -2,-0.3 2,-0.5 18,-0.2 28,-0.2 0.192 71.5 101.7-115.3 12.8 -66.6 82.7 91.3 98 104 A K > - 0 0 20 1,-0.1 4,-2.8 23,-0.1 5,-0.2 -0.865 63.1-148.4-108.1 127.2 -63.2 81.4 92.4 99 105 A A H > S+ 0 0 13 -2,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.898 98.4 46.9 -63.0 -44.1 -61.6 78.4 90.8 100 106 A E H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 113.2 49.5 -60.5 -43.9 -59.7 77.2 93.8 101 107 A V H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.971 111.0 49.7 -63.8 -54.3 -62.7 77.6 96.0 102 108 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-0.3 0.923 109.3 52.2 -44.4 -56.6 -64.9 75.7 93.6 103 109 A K H X S+ 0 0 82 -4,-2.5 4,-2.5 1,-0.3 3,-0.3 0.917 111.6 44.6 -47.4 -55.3 -62.4 72.8 93.4 104 110 A Q H X S+ 0 0 72 -4,-2.6 4,-1.2 1,-0.3 -1,-0.3 0.811 109.8 57.2 -65.7 -31.3 -62.1 72.3 97.1 105 111 A A H <>S+ 0 0 0 -4,-2.2 5,-2.8 -3,-0.3 -1,-0.3 0.863 108.4 45.6 -65.8 -47.7 -65.9 72.5 97.5 106 112 A I H ><5S+ 0 0 20 -4,-2.4 3,-3.0 -3,-0.3 -1,-0.2 0.901 109.9 52.4 -63.3 -43.1 -66.5 69.7 95.1 107 113 A E H 3<5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.823 106.6 57.7 -63.2 -20.8 -63.8 67.5 96.6 108 114 A A T 3<5S- 0 0 16 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.408 136.2 -86.1 -88.0 11.3 -65.7 68.3 99.9 109 115 A G T < 5S+ 0 0 25 -3,-3.0 -17,-0.4 1,-0.3 -3,-0.2 0.311 80.0 143.1 106.8 -15.6 -69.0 66.8 98.4 110 116 A A < - 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0 0 3 0, 0.0 -31,-2.3 0, 0.0 2,-0.3 -0.340 42.2-150.1 -61.7 146.2 -77.0 67.8 134.9 355 98 B I E -n 323 0E 0 17,-0.3 19,-2.8 -33,-0.2 20,-1.2 -0.877 6.8-158.4-112.2 148.9 -73.4 68.0 133.8 356 99 B S E -no 324 375E 0 -33,-2.7 -31,-2.3 -2,-0.3 2,-0.5 -0.996 14.4-134.7-125.4 137.9 -70.2 67.7 135.9 357 100 B I E -no 325 376E 0 18,-2.1 20,-3.3 -2,-0.4 2,-1.3 -0.766 10.3-146.9 -88.2 126.4 -66.8 68.9 135.0 358 101 B D E +n 326 0E 32 -33,-2.6 -31,-0.6 -2,-0.5 -30,-0.4 -0.649 53.7 118.6 -89.2 75.7 -64.0 66.5 135.6 359 102 B T - 0 0 2 -2,-1.3 20,-0.3 -33,-0.1 3,-0.0 -0.733 49.6-161.7-121.7 177.4 -61.2 68.9 136.5 360 103 B Y + 0 0 64 -2,-0.2 2,-0.3 18,-0.2 25,-0.2 0.315 66.1 102.6-125.8 -3.0 -59.0 69.4 139.6 361 104 B K > - 0 0 40 1,-0.1 4,-2.1 23,-0.1 5,-0.2 -0.615 68.8-139.0 -92.2 133.6 -57.9 72.9 138.5 362 105 B A H > S+ 0 0 12 -2,-0.3 4,-2.2 1,-0.2 3,-0.2 0.960 101.7 40.3 -56.1 -56.0 -59.5 76.0 140.0 363 106 B E H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 111.6 56.9 -65.9 -35.8 -59.9 78.1 136.8 364 107 B V H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 110.0 46.7 -61.3 -40.3 -61.0 75.1 134.7 365 108 B A H X S+ 0 0 0 -4,-2.1 4,-2.0 -3,-0.2 5,-0.2 0.914 109.1 52.3 -68.6 -46.4 -63.8 74.5 137.1 366 109 B K H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 3,-0.4 0.968 113.7 44.1 -53.6 -51.4 -64.9 78.2 137.3 367 110 B Q H X S+ 0 0 59 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.885 110.6 54.5 -61.8 -40.7 -65.2 78.4 133.5 368 111 B A H <>S+ 0 0 0 -4,-1.8 5,-3.0 -5,-0.2 4,-0.5 0.838 110.1 45.7 -66.0 -35.1 -66.9 75.1 133.2 369 112 B I H ><5S+ 0 0 22 -4,-2.0 3,-0.6 -3,-0.4 -1,-0.2 0.857 112.2 51.9 -73.0 -39.0 -69.6 76.2 135.6 370 113 B E H 3<5S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.791 107.8 53.5 -64.2 -32.3 -69.9 79.5 133.8 371 114 B A T 3<5S- 0 0 18 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.679 137.8 -81.7 -73.9 -20.0 -70.3 77.5 130.6 372 115 B G T < 5S+ 0 0 18 -3,-0.6 -17,-0.3 -4,-0.5 -3,-0.2 0.322 78.6 143.4 131.9 -5.4 -73.2 75.5 132.1 373 116 B A < - 0 0 5 -5,-3.0 -1,-0.3 -6,-0.1 -17,-0.2 -0.387 29.3-166.2 -70.6 150.0 -71.6 72.7 134.3 374 117 B H + 0 0 15 -19,-2.8 2,-0.3 1,-0.2 -18,-0.2 0.672 64.6 37.2-107.7 -22.9 -73.5 71.8 137.5 375 118 B I E -o 356 0E 3 -20,-1.2 -18,-2.1 22,-0.2 2,-0.5 -0.976 68.3-133.2-138.4 139.1 -71.0 69.7 139.6 376 119 B I E -op 357 399E 0 22,-2.3 24,-3.1 -2,-0.3 2,-0.6 -0.836 15.9-161.9 -98.9 131.6 -67.3 69.8 140.2 377 120 B N E - p 0 400E 7 -20,-3.3 2,-0.6 -2,-0.5 24,-0.1 -0.807 10.9-175.6-116.8 99.0 -65.5 66.5 139.9 378 121 B D E > - p 0 401E 0 22,-2.2 24,-2.0 -2,-0.6 3,-1.2 -0.793 21.1-169.5-107.6 114.6 -62.1 66.5 141.5 379 122 B I T 3 S+ 0 0 37 -2,-0.6 -1,-0.1 -20,-0.3 -19,-0.1 0.372 95.0 47.6 -78.9 3.0 -59.7 63.6 141.3 380 123 B W T > S- 0 0 79 24,-0.1 3,-2.6 5,-0.0 4,-0.3 0.226 104.1-129.7-125.1 10.6 -57.4 65.3 143.9 381 124 B G T < S- 0 0 0 -3,-1.2 46,-0.1 1,-0.3 47,-0.1 0.859 70.9 -52.0 45.7 46.8 -60.2 66.1 146.3 382 125 B A T 3 S+ 0 0 0 1,-0.1 -1,-0.3 3,-0.1 7,-0.1 0.618 120.1 105.3 71.2 13.3 -59.1 69.8 146.6 383 126 B K S < S+ 0 0 71 -3,-2.6 -2,-0.2 2,-0.2 -1,-0.1 0.906 78.6 48.9 -88.0 -45.2 -55.6 68.8 147.5 384 127 B A S S+ 0 0 44 -4,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.905 133.9 9.0 -53.0 -50.2 -54.2 69.8 144.1 385 128 B E > - 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