==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-APR-11 3RPE . COMPND 2 MOLECULE: MODULATOR OF DRUG ACTIVITY B; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR G.MINASOV,A.HALAVATY,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPA . 391 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.1 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 . 6 1.5 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 2 0 0 0 2 2 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 -5 A Y 0 0 346 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 25.9 38.4 13.5 2 ! 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 3 0 A A 0 0 134 0, 0.0 2,-0.2 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0-175.2 36.5 31.0 18.4 4 1 A M - 0 0 64 35,-1.1 37,-0.4 1,-0.1 192,-0.1 -0.778 360.0 -42.0-144.5-173.4 39.3 31.5 15.9 5 2 A S - 0 0 32 190,-0.3 2,-0.4 -2,-0.2 36,-0.3 -0.238 57.4-111.3 -62.4 143.6 40.1 30.7 12.2 6 3 A N - 0 0 35 56,-0.2 58,-2.5 34,-0.2 59,-2.0 -0.644 38.7-160.7 -73.5 128.3 39.2 27.3 10.7 7 4 A V E -ab 42 65A 0 34,-2.7 36,-2.3 -2,-0.4 2,-0.5 -0.960 16.0-165.4-122.5 129.2 42.4 25.5 10.0 8 5 A L E -ab 43 66A 0 57,-2.4 59,-2.8 -2,-0.5 2,-0.6 -0.952 11.3-160.3-106.4 121.6 42.9 22.5 7.6 9 6 A I E -ab 44 67A 0 34,-2.9 36,-2.8 -2,-0.5 2,-0.7 -0.930 1.2-159.6-105.4 122.0 46.3 20.8 8.1 10 7 A I E -ab 45 68A 0 57,-3.4 59,-2.7 -2,-0.6 2,-0.8 -0.906 7.2-159.6-104.2 106.5 47.5 18.6 5.2 11 8 A N E +ab 46 69A 0 34,-3.2 36,-1.8 -2,-0.7 37,-0.5 -0.823 13.6 179.1 -92.5 109.0 50.0 16.1 6.5 12 9 A A + 0 0 0 57,-3.0 69,-0.2 -2,-0.8 68,-0.1 -0.003 26.6 145.1-101.1 28.4 52.1 14.8 3.6 13 10 A M - 0 0 36 56,-0.2 35,-0.5 57,-0.1 2,-0.3 -0.254 23.3-179.0 -60.0 150.5 54.3 12.5 5.6 14 11 A K - 0 0 38 2,-0.1 2,-0.7 33,-0.1 7,-0.4 -0.917 28.5-133.2-157.4 131.9 55.4 9.3 3.9 15 12 A E + 0 0 132 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.784 52.6 133.4 -85.0 115.8 57.5 6.3 4.9 16 13 A F B > -F 19 0B 56 3,-2.4 3,-2.7 -2,-0.7 5,-0.1 -0.903 66.8 -37.4-166.4 130.2 59.9 5.7 2.1 17 14 A A T 3 S- 0 0 45 -2,-0.3 -1,-0.1 1,-0.3 270,-0.0 -0.239 130.3 -7.2 51.1-122.9 63.6 5.0 1.8 18 15 A H T 3 S+ 0 0 123 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.444 119.0 87.9 -87.5 3.1 65.3 7.2 4.5 19 16 A S B < +F 16 0B 31 -3,-2.7 -3,-2.4 1,-0.1 0, 0.0 -0.880 46.4 176.9 -97.3 132.4 62.1 9.1 5.5 20 17 A K - 0 0 138 -2,-0.5 -5,-0.2 -5,-0.2 -1,-0.1 0.466 38.7-127.7-111.2 -8.2 60.0 7.4 8.2 21 18 A G S > S+ 0 0 13 -7,-0.4 4,-2.1 -5,-0.1 5,-0.2 0.379 73.9 117.2 81.7 -4.1 57.3 10.2 8.6 22 19 A A H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.859 72.1 50.9 -67.8 -39.0 57.6 10.6 12.3 23 20 A L H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 113.2 46.3 -65.6 -42.9 58.7 14.2 12.4 24 21 A N H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.880 112.2 50.2 -68.8 -34.8 55.9 15.3 10.1 25 22 A L H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.943 111.9 49.8 -64.7 -45.1 53.3 13.3 12.1 26 23 A T H X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.931 112.5 45.1 -58.8 -48.8 54.6 14.9 15.3 27 24 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.829 110.2 55.3 -68.5 -34.3 54.5 18.5 13.9 28 25 A T H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.952 112.9 42.6 -57.5 -50.1 51.0 17.8 12.4 29 26 A N H X S+ 0 0 71 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.873 111.1 54.6 -67.9 -37.0 49.8 16.8 15.9 30 27 A V H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.922 112.4 44.2 -60.8 -45.1 51.6 19.7 17.7 31 28 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.932 113.5 50.1 -67.0 -44.3 49.9 22.2 15.4 32 29 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.942 115.2 42.9 -59.9 -47.5 46.5 20.5 15.7 33 30 A D H X S+ 0 0 89 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.931 116.7 46.2 -65.8 -45.8 46.7 20.4 19.5 34 31 A F H X S+ 0 0 23 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.922 114.9 46.4 -63.8 -45.4 48.1 24.0 19.9 35 32 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 -5,-0.2 4,-0.4 0.898 113.3 48.8 -66.9 -39.9 45.6 25.5 17.5 36 33 A R H ><5S+ 0 0 115 -4,-2.3 3,-1.4 -5,-0.3 -2,-0.2 0.924 110.9 51.0 -63.3 -43.0 42.6 23.6 19.1 37 34 A E H 3<5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.882 108.2 54.5 -58.2 -41.7 43.9 24.8 22.5 38 35 A S T 3<5S- 0 0 31 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.499 129.0 -94.2 -73.9 -8.4 44.0 28.3 21.1 39 36 A G T < 5S+ 0 0 32 -3,-1.4 -35,-1.1 -4,-0.4 2,-0.3 0.466 80.0 131.3 108.8 4.4 40.3 28.2 19.9 40 37 A H < - 0 0 8 -5,-2.7 2,-0.4 -37,-0.2 -1,-0.3 -0.665 56.2-128.4 -90.7 143.8 40.6 27.1 16.3 41 38 A Q - 0 0 120 -37,-0.4 -34,-2.7 -2,-0.3 2,-0.4 -0.769 35.4-161.7 -81.4 134.6 38.5 24.3 14.8 42 39 A V E -a 7 0A 15 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.987 18.1-173.4-129.0 131.6 41.0 22.0 13.1 43 40 A K E -a 8 0A 86 -36,-2.3 -34,-2.9 -2,-0.4 2,-0.4 -0.935 13.9-152.5-116.3 143.8 40.6 19.3 10.4 44 41 A I E -a 9 0A 62 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.975 8.0-166.4-123.4 131.2 43.5 17.0 9.3 45 42 A T E -a 10 0A 7 -36,-2.8 -34,-3.2 -2,-0.4 2,-0.8 -0.972 7.6-158.5-111.2 127.0 44.1 15.3 6.0 46 43 A T E >> -a 11 0A 25 -2,-0.5 3,-1.4 4,-0.3 4,-0.7 -0.879 8.7-164.5-107.7 98.8 46.7 12.6 5.9 47 44 A V G >4 S+ 0 0 5 -36,-1.8 3,-1.5 -2,-0.8 -1,-0.2 0.869 81.0 54.4 -54.5 -47.9 47.6 12.4 2.3 48 45 A D G 34 S+ 0 0 70 -37,-0.5 -1,-0.3 -35,-0.5 3,-0.1 0.688 103.5 58.4 -64.6 -18.4 49.4 9.0 2.2 49 46 A Q G <4 S- 0 0 156 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.702 117.7-106.1 -79.9 -19.4 46.4 7.3 3.7 50 47 A G << - 0 0 45 -3,-1.5 -4,-0.3 -4,-0.7 2,-0.3 -0.397 33.9-141.7 108.3 167.8 44.2 8.4 0.9 51 48 A Y - 0 0 55 -2,-0.2 2,-0.7 -3,-0.1 3,-0.1 -0.986 19.6-113.6-163.3 155.8 41.5 11.0 0.5 52 49 A D > - 0 0 91 -2,-0.3 4,-2.2 1,-0.2 3,-0.2 -0.909 26.3-147.9 -99.0 115.2 38.1 11.7 -1.1 53 50 A I H > S+ 0 0 46 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.893 96.2 49.9 -51.5 -48.2 38.7 14.5 -3.7 54 51 A E H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 110.2 50.4 -59.7 -43.8 35.2 16.0 -3.2 55 52 A S H > S+ 0 0 49 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 109.4 52.2 -60.6 -39.3 35.6 16.0 0.5 56 53 A E H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 106.8 51.8 -65.3 -42.0 39.0 17.8 0.2 57 54 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.943 111.4 47.9 -58.7 -45.6 37.5 20.5 -2.1 58 55 A E H X S+ 0 0 101 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.871 107.8 56.6 -61.7 -37.2 34.8 21.0 0.6 59 56 A N H X S+ 0 0 24 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.872 105.9 49.5 -61.2 -43.7 37.6 21.2 3.2 60 57 A Y H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.915 110.7 50.6 -60.7 -43.3 39.3 24.0 1.4 61 58 A L H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 113.2 46.5 -63.6 -35.9 36.0 25.9 1.1 62 59 A W H < S+ 0 0 55 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.864 99.7 87.2 -71.7 -39.3 35.5 25.4 4.9 63 60 A A < - 0 0 0 -4,-2.3 -56,-0.2 -5,-0.1 3,-0.1 -0.290 50.8-170.0 -68.9 144.7 39.0 26.4 5.8 64 61 A D S S+ 0 0 70 -58,-2.5 57,-2.4 1,-0.4 2,-0.4 0.709 86.5 22.0 -93.2 -32.8 40.3 30.0 6.5 65 62 A T E -bc 7 121A 9 -59,-2.0 -57,-2.4 55,-0.2 2,-0.5 -1.000 67.9-156.4-138.4 136.0 43.9 28.8 6.5 66 63 A I E -bc 8 122A 0 55,-2.1 57,-2.4 -2,-0.4 2,-0.5 -0.964 8.9-162.0-113.7 121.9 45.5 25.7 5.0 67 64 A I E -bc 9 123A 0 -59,-2.8 -57,-3.4 -2,-0.5 2,-0.7 -0.927 5.1-155.1-104.6 126.4 48.8 24.4 6.5 68 65 A Y E -bc 10 124A 0 55,-2.7 57,-2.8 -2,-0.5 2,-0.7 -0.906 8.8-168.4-101.2 109.3 50.9 22.0 4.4 69 66 A Q E +bc 11 125A 0 -59,-2.7 -57,-3.0 -2,-0.7 57,-0.2 -0.886 29.0 145.4 -99.9 113.9 53.1 19.9 6.7 70 67 A M E - c 0 126A 0 55,-2.5 57,-1.5 -2,-0.7 2,-0.2 -0.999 47.4-120.6-154.8 147.8 55.6 18.1 4.6 71 68 A P E - c 0 127A 11 0, 0.0 2,-0.6 0, 0.0 57,-0.2 -0.512 40.9-106.4 -78.6 158.2 59.1 16.8 4.2 72 69 A A + 0 0 24 55,-2.7 2,-0.5 -2,-0.2 57,-0.2 -0.776 39.3 179.8 -83.2 120.1 61.4 18.0 1.5 73 70 A W B > S-G 76 0C 17 3,-3.1 3,-1.5 -2,-0.6 209,-0.1 -0.988 73.3 -19.4-122.9 115.8 61.8 15.3 -1.2 74 71 A W T 3 S- 0 0 32 -2,-0.5 279,-0.2 1,-0.3 -1,-0.1 0.914 131.0 -47.0 47.4 53.7 64.0 16.3 -4.1 75 72 A M T 3 S+ 0 0 5 1,-0.2 -1,-0.3 277,-0.1 2,-0.2 0.437 128.0 27.7 74.7 7.1 63.7 20.0 -3.3 76 73 A G B < S-G 73 0C 4 -3,-1.5 -3,-3.1 1,-0.1 -1,-0.2 -0.797 100.5 -19.8-163.5-155.8 60.0 20.1 -2.9 77 74 A E - 0 0 21 -2,-0.2 -5,-0.1 -5,-0.2 -1,-0.1 -0.332 68.0-100.4 -69.3 145.0 56.8 18.3 -2.0 78 75 A P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-1.5 -0.337 38.3-107.8 -56.7 153.0 56.6 14.5 -2.0 79 76 A W H 3> S+ 0 0 39 1,-0.3 4,-2.5 199,-0.3 5,-0.2 0.811 117.9 64.6 -54.1 -34.0 55.0 13.2 -5.1 80 77 A I H 3> S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.850 103.3 47.0 -60.1 -33.0 51.9 12.2 -3.1 81 78 A L H <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.863 109.4 52.1 -78.5 -34.5 51.3 15.9 -2.3 82 79 A K H X S+ 0 0 7 -4,-1.5 4,-2.7 2,-0.2 193,-0.3 0.901 110.6 49.9 -64.4 -38.7 51.7 17.0 -5.9 83 80 A K H X S+ 0 0 53 -4,-2.5 4,-1.9 2,-0.2 5,-0.3 0.915 108.8 52.3 -64.3 -42.2 49.2 14.3 -6.9 84 81 A Y H X S+ 0 0 0 -4,-1.8 4,-3.1 -5,-0.2 5,-0.3 0.937 113.7 42.9 -55.7 -49.9 46.8 15.6 -4.2 85 82 A I H X>S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 5,-0.7 0.913 111.7 54.2 -62.8 -44.0 47.1 19.2 -5.6 86 83 A D H <5S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.814 119.2 34.8 -62.1 -33.3 46.8 17.9 -9.3 87 84 A E H X5S+ 0 0 29 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.918 123.1 40.8 -84.1 -53.3 43.6 16.1 -8.4 88 85 A V H X5S+ 0 0 0 -4,-3.1 4,-1.3 -5,-0.3 -3,-0.2 0.920 117.5 43.9 -67.1 -48.1 42.0 18.4 -5.9 89 86 A F H <5S+ 0 0 0 -4,-2.2 7,-0.2 -5,-0.3 -1,-0.2 0.939 117.6 46.7 -64.8 -44.5 42.8 21.8 -7.4 90 87 A T H >4X> + 0 0 0 -4,-1.3 4,-3.1 -5,-0.2 3,-2.5 0.409 68.3 132.6 -77.2 0.3 38.0 22.2 -7.8 93 90 A H B <45S+h 97 0D 88 -3,-1.9 5,-0.2 1,-0.3 -3,-0.1 -0.360 71.7 27.3 -55.5 128.9 37.5 24.1 -11.1 94 91 A G T 345S+ 0 0 37 3,-3.3 -1,-0.3 -2,-0.0 4,-0.1 0.056 131.0 40.3 103.4 -21.8 34.3 26.2 -10.6 95 92 A R T <45S+ 0 0 87 -3,-2.5 -2,-0.2 2,-0.3 3,-0.1 0.651 123.2 30.0-123.6 -41.1 34.7 26.4 -6.8 96 93 A L T <5S- 0 0 0 -4,-3.1 20,-2.1 1,-0.4 21,-0.8 0.749 136.0 -1.0 -92.2 -31.9 38.4 26.9 -6.0 97 94 A Y B < -hI 93 115D 36 -5,-0.9 -3,-3.3 18,-0.3 -1,-0.4 -0.976 50.6-161.8-153.6 157.1 39.1 28.8 -9.2 98 95 A Q - 0 0 105 16,-3.1 2,-0.3 1,-0.4 17,-0.2 0.731 69.2 -26.0-109.4 -38.9 37.2 29.9 -12.3 99 96 A S - 0 0 49 15,-1.6 -1,-0.4 -6,-0.0 15,-0.4 -0.905 69.4 -83.3-160.5-176.2 39.9 30.7 -14.9 100 97 A D - 0 0 8 -2,-0.3 12,-2.0 2,-0.1 13,-0.9 0.416 66.7-114.8 -81.7 0.7 43.5 31.7 -15.4 101 98 A G S S+ 0 0 21 1,-0.3 2,-0.2 12,-0.3 10,-0.1 0.480 77.1 117.5 81.1 1.6 42.3 35.4 -15.0 102 99 A R - 0 0 25 5,-0.0 2,-0.4 12,-0.0 -1,-0.3 -0.533 55.1-141.1 -97.0 166.9 43.1 36.4 -18.6 103 100 A T - 0 0 82 3,-0.4 3,-0.5 6,-0.4 6,-0.2 -0.954 19.5-132.0-121.1 143.0 41.0 37.6 -21.5 104 101 A R S > S+ 0 0 176 -2,-0.4 3,-0.7 1,-0.2 -1,-0.1 0.761 108.8 64.5 -64.4 -21.4 41.7 36.5 -25.1 105 102 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.860 119.0 19.4 -65.1 -43.9 41.4 40.2 -25.8 106 103 A D T > S+ 0 0 80 -3,-0.5 3,-1.6 3,-0.1 -3,-0.4 -0.582 81.4 168.0-129.2 65.7 44.5 41.2 -23.8 107 104 A A T < + 0 0 16 -3,-0.7 4,-0.1 1,-0.3 -1,-0.1 0.575 64.5 63.6 -62.1 -19.0 46.2 37.7 -23.6 108 105 A T T 3 S+ 0 0 49 221,-0.1 2,-0.3 218,-0.1 -1,-0.3 0.661 99.4 66.8 -82.8 -10.6 49.6 38.7 -22.2 109 106 A K S < S+ 0 0 87 -3,-1.6 -6,-0.4 -6,-0.2 -3,-0.1 -0.746 83.1 26.6-116.8 155.9 48.1 40.0 -19.0 110 107 A G > + 0 0 23 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.356 59.5 164.3 88.1 -0.9 46.4 38.8 -15.8 111 108 A Y T 3 S+ 0 0 21 1,-0.2 226,-0.4 -3,-0.2 -1,-0.2 -0.242 70.1 23.2 -52.5 132.4 47.6 35.2 -15.5 112 109 A G T 3 S+ 0 0 10 -12,-2.0 3,-0.3 48,-0.1 -1,-0.2 0.401 93.4 101.2 92.3 2.3 46.8 33.9 -12.0 113 110 A S < + 0 0 76 -3,-1.9 -12,-0.3 -13,-0.9 -13,-0.1 0.175 54.8 87.5-104.1 16.2 44.0 36.3 -11.2 114 111 A G + 0 0 8 -15,-0.4 -16,-3.1 46,-0.2 -15,-1.6 0.130 58.7 128.2-103.6 21.1 41.0 33.9 -11.8 115 112 A G B -I 97 0D 7 -3,-0.3 -18,-0.3 -18,-0.3 47,-0.2 -0.102 45.4-158.8 -70.0 168.4 40.8 32.4 -8.4 116 113 A L S S+ 0 0 75 -20,-2.1 -19,-0.2 45,-1.1 46,-0.2 0.449 78.6 69.7-124.9 -9.3 37.7 32.1 -6.2 117 114 A I > + 0 0 7 44,-2.5 3,-1.8 -21,-0.8 45,-0.2 -0.045 60.2 154.4-109.3 34.8 39.1 31.6 -2.7 118 115 A Q T 3 + 0 0 106 1,-0.2 45,-0.2 43,-0.2 3,-0.1 -0.273 61.8 42.9 -53.2 143.1 40.5 35.1 -2.2 119 116 A G T 3 S+ 0 0 78 43,-0.6 -1,-0.2 1,-0.4 2,-0.2 -0.050 90.6 105.6 102.4 -30.8 40.7 35.9 1.6 120 117 A K < - 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