==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 20-FEB-13 4JBU . COMPND 2 MOLECULE: VIRULENCE-ASSOCIATED V ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR S.LOVELL,S.CHAUDHURY,K.P.BATTAILE,G.PLANO,R.N.DE GUZMAN . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14621.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.8 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 . 1 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 . 12 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 3 1 0 0 0 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 1 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 1 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 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 25 A G 0 0 43 0, 0.0 67,-0.2 0, 0.0 66,-0.1 0.000 360.0 360.0 360.0-179.5 -15.3 19.6 15.6 2 26 A H - 0 0 46 65,-0.2 64,-2.5 1,-0.1 2,-0.3 -0.186 360.0 -98.0 -86.4 170.3 -17.8 16.9 16.4 3 27 A M E -A 65 0A 133 62,-0.2 2,-0.3 60,-0.0 62,-0.2 -0.641 43.5-177.7 -80.0 147.5 -19.9 16.0 19.4 4 28 A G E -A 64 0A 21 60,-2.4 60,-2.6 -2,-0.3 2,-0.2 -0.904 18.3-140.7-137.8 165.2 -18.6 13.2 21.6 5 29 A S - 0 0 94 -2,-0.3 58,-0.4 58,-0.3 57,-0.2 -0.603 64.2 -28.2-112.0-176.7 -19.6 11.3 24.7 6 30 A S > - 0 0 18 55,-0.4 4,-1.9 56,-0.3 54,-0.2 0.037 46.1-158.0 -35.2 118.8 -17.5 10.2 27.6 7 31 A V H > S+ 0 0 0 52,-2.3 4,-2.4 2,-0.2 5,-0.2 0.862 94.8 58.3 -69.0 -35.8 -13.9 9.5 26.5 8 32 A L H > S+ 0 0 6 52,-2.1 4,-2.6 51,-0.2 5,-0.2 0.962 109.6 42.0 -54.9 -53.9 -13.5 7.3 29.6 9 33 A E H > S+ 0 0 117 51,-0.5 4,-2.5 1,-0.2 5,-0.2 0.878 113.0 54.8 -63.4 -35.0 -16.3 5.1 28.4 10 34 A E H X S+ 0 0 64 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.904 112.8 40.8 -65.6 -41.0 -15.1 5.2 24.9 11 35 A L H X S+ 0 0 8 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.903 112.5 54.4 -76.2 -39.4 -11.6 4.0 25.8 12 36 A V H X S+ 0 0 34 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.928 111.5 46.1 -58.9 -46.1 -12.9 1.4 28.3 13 37 A Q H X S+ 0 0 103 -4,-2.5 4,-3.1 -5,-0.2 -1,-0.2 0.898 111.9 51.7 -63.5 -40.7 -15.1 -0.1 25.6 14 38 A L H X S+ 0 0 11 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.935 108.9 47.8 -65.4 -46.1 -12.3 -0.1 23.0 15 39 A V H <>S+ 0 0 16 -4,-2.8 5,-2.9 2,-0.2 4,-0.2 0.854 114.4 49.0 -68.3 -27.9 -9.7 -1.9 25.2 16 40 A K H ><5S+ 0 0 82 -4,-1.7 3,-1.2 -5,-0.3 -2,-0.2 0.956 112.0 47.5 -69.6 -51.0 -12.4 -4.4 26.0 17 41 A D H 3<5S+ 0 0 102 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 120.3 38.4 -53.1 -41.5 -13.4 -4.9 22.3 18 42 A K T 3<5S- 0 0 65 -4,-2.7 68,-2.9 -5,-0.2 -1,-0.2 0.346 108.8-120.4 -98.7 9.2 -9.7 -5.2 21.3 19 43 A N T < 5 + 0 0 97 -3,-1.2 2,-0.4 -4,-0.2 68,-0.2 0.928 58.0 154.8 50.2 50.4 -8.6 -7.3 24.3 20 44 A I < - 0 0 3 -5,-2.9 2,-0.3 66,-0.2 68,-0.2 -0.870 26.3-170.2-106.9 138.1 -6.0 -4.7 25.4 21 45 A D E -b 88 0B 70 66,-1.7 68,-2.2 -2,-0.4 2,-0.5 -0.945 11.2-149.5-115.1 150.5 -4.7 -4.2 29.0 22 46 A I E +b 89 0B 4 -2,-0.3 18,-2.4 66,-0.2 19,-1.2 -0.989 24.2 171.4-123.5 125.9 -2.5 -1.2 30.0 23 47 A S E -bC 90 39B 0 66,-2.9 68,-2.5 -2,-0.5 2,-0.6 -0.945 37.0-122.2-136.9 150.8 -0.0 -1.6 32.7 24 48 A I E - C 0 38B 17 14,-2.7 14,-2.5 -2,-0.3 2,-0.4 -0.834 39.0-170.1 -85.7 122.2 2.9 0.1 34.4 25 49 A K - 0 0 33 -2,-0.6 67,-0.1 12,-0.2 11,-0.1 -0.918 30.7 -89.5-117.4 149.1 5.9 -2.1 34.1 26 50 A Y - 0 0 54 9,-0.5 8,-0.1 -2,-0.4 -1,-0.0 -0.193 35.8-156.9 -51.2 137.5 9.3 -1.9 35.7 27 51 A D >> - 0 0 28 1,-0.1 4,-2.8 -3,-0.0 3,-2.1 -0.965 6.7-156.6-124.4 109.1 11.8 0.1 33.7 28 52 A P T 34 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.609 92.5 59.4 -65.0 -9.8 15.4 -0.7 34.5 29 53 A R T 34 S+ 0 0 135 1,-0.0 3,-0.0 -3,-0.0 -3,-0.0 0.597 123.2 17.5 -90.5 -7.8 16.6 2.7 33.3 30 54 A K T <4 S+ 0 0 62 -3,-2.1 2,-0.2 1,-0.1 -4,-0.0 0.718 104.7 78.0-128.1 -44.8 14.4 4.5 35.8 31 55 A D < - 0 0 52 -4,-2.8 -1,-0.1 1,-0.1 3,-0.1 -0.536 53.9-153.5 -91.0 143.3 13.2 2.4 38.8 32 56 A S S S+ 0 0 124 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.791 80.6 32.2 -85.3 -28.8 15.3 1.4 41.8 33 57 A E S S- 0 0 160 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.969 84.7-112.6-129.5 144.6 13.5 -1.8 42.7 34 58 A V - 0 0 111 -2,-0.4 2,-0.3 -8,-0.1 -2,-0.0 -0.570 39.3-177.3 -72.7 136.2 11.7 -4.3 40.6 35 59 A F - 0 0 41 -2,-0.3 -9,-0.5 3,-0.0 3,-0.1 -0.938 31.0 -96.0-132.3 154.8 7.9 -4.5 41.1 36 60 A A - 0 0 82 -2,-0.3 -12,-0.1 1,-0.1 0, 0.0 -0.379 57.9 -83.5 -64.6 148.8 5.0 -6.6 39.7 37 61 A N - 0 0 80 1,-0.1 2,-0.7 -2,-0.1 -12,-0.2 -0.232 38.6-144.6 -55.1 137.8 3.1 -5.1 36.8 38 62 A R E -C 24 0B 144 -14,-2.5 -14,-2.7 -3,-0.1 2,-0.6 -0.911 8.2-150.0-109.1 104.4 0.4 -2.7 37.8 39 63 A V E > -C 23 0B 42 -2,-0.7 3,-0.5 -16,-0.3 -16,-0.3 -0.615 14.6-177.2 -77.7 113.5 -2.7 -3.0 35.5 40 64 A I G > S+ 0 0 0 -18,-2.4 3,-1.3 -2,-0.6 7,-0.5 0.689 77.6 66.5 -91.6 -16.8 -4.3 0.5 35.3 41 65 A T G 3 S+ 0 0 22 -19,-1.2 -1,-0.2 1,-0.2 3,-0.1 0.499 95.8 62.0 -77.4 -1.6 -7.2 -0.5 33.1 42 66 A D G < S+ 0 0 120 -3,-0.5 2,-0.4 -20,-0.3 -1,-0.2 0.393 101.0 54.8 -96.9 -0.8 -8.2 -2.6 36.2 43 67 A D X> - 0 0 75 -3,-1.3 4,-2.3 1,-0.1 3,-0.7 -0.847 65.6-171.5-135.6 92.9 -8.6 0.5 38.3 44 68 A I H 3> S+ 0 0 68 -2,-0.4 4,-2.5 1,-0.3 5,-0.1 0.791 85.9 56.9 -62.6 -29.2 -11.0 3.1 36.7 45 69 A E H 3> S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.872 109.5 45.4 -68.4 -36.8 -10.1 5.8 39.2 46 70 A L H <> S+ 0 0 40 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.896 112.0 51.7 -70.4 -42.7 -6.5 5.5 38.3 47 71 A L H X S+ 0 0 7 -4,-2.3 4,-2.6 -7,-0.5 -2,-0.2 0.910 108.3 52.2 -59.9 -42.5 -7.3 5.5 34.6 48 72 A K H X S+ 0 0 60 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.881 107.7 51.5 -61.4 -35.8 -9.4 8.7 35.1 49 73 A K H X S+ 0 0 71 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.913 110.4 49.2 -68.2 -40.4 -6.5 10.4 36.9 50 74 A I H >X S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.924 111.7 48.0 -61.8 -48.2 -4.2 9.5 33.9 51 75 A L H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-1.5 0.875 103.8 62.8 -63.0 -34.1 -6.7 10.8 31.4 52 76 A A H 3< S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.666 89.3 67.9 -70.4 -14.6 -7.1 14.0 33.4 53 77 A Y H << S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.831 118.4 22.6 -65.3 -32.6 -3.5 14.9 32.8 54 78 A F H << S+ 0 0 35 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.1 0.698 124.8 42.5-104.0 -27.5 -4.5 15.4 29.2 55 79 A L S < S- 0 0 10 -4,-2.3 2,-0.2 2,-0.0 -1,-0.1 -0.880 79.0-105.5-128.7 152.8 -8.2 16.1 29.1 56 80 A P >> - 0 0 68 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.468 34.5-114.7 -74.8 153.1 -10.7 18.1 31.1 57 81 A E H 3> S+ 0 0 142 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.853 115.1 63.9 -54.2 -31.8 -13.0 16.3 33.4 58 82 A D H 3>>S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 5,-1.1 0.899 106.3 40.6 -61.7 -43.4 -15.8 17.4 31.1 59 83 A A H <45S+ 0 0 3 -3,-1.0 -52,-2.3 3,-0.2 4,-0.4 0.871 114.6 53.4 -72.9 -38.6 -14.5 15.3 28.2 60 84 A I H <5S+ 0 0 4 -4,-2.0 -52,-2.1 -54,-0.2 -51,-0.5 0.922 123.8 22.1 -64.0 -45.8 -13.6 12.4 30.3 61 85 A L H <5S+ 0 0 83 -4,-2.5 -55,-0.4 -5,-0.2 -2,-0.2 0.803 139.6 13.6 -95.1 -34.3 -17.0 11.9 32.0 62 86 A K T <5S- 0 0 75 -4,-1.9 2,-0.3 -5,-0.4 -56,-0.3 0.533 81.4-143.8-126.4 -14.5 -19.6 13.5 29.7 63 87 A G < + 0 0 9 -5,-1.1 -1,-0.3 -58,-0.4 -58,-0.3 -0.655 26.0 175.9 78.8-136.4 -18.1 14.3 26.3 64 88 A G E -A 4 0A 35 -60,-2.6 -60,-2.4 -2,-0.3 2,-0.9 -0.822 46.8 -29.9 131.5-166.3 -19.3 17.5 24.7 65 89 A H E -A 3 0A 133 -2,-0.3 -62,-0.2 -62,-0.2 2,-0.2 -0.805 68.2-154.3 -92.0 103.1 -18.7 19.6 21.6 66 90 A Y - 0 0 9 -64,-2.5 -2,-0.1 -2,-0.9 2,-0.0 -0.573 10.8-122.7 -84.3 142.3 -15.0 18.9 20.8 67 91 A D > - 0 0 97 -2,-0.2 4,-2.6 -66,-0.1 5,-0.2 -0.236 36.8-100.2 -71.3 166.2 -12.7 21.2 18.9 68 92 A N H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.892 122.0 54.3 -59.0 -39.3 -11.0 19.8 15.8 69 93 A Q H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 111.9 44.4 -60.3 -42.9 -7.8 19.2 17.6 70 94 A L H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 113.4 48.5 -72.0 -40.9 -9.5 17.1 20.2 71 95 A Q H X S+ 0 0 54 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.956 116.2 44.1 -64.5 -46.0 -11.7 15.2 17.8 72 96 A N H X S+ 0 0 100 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.876 112.2 53.8 -64.4 -37.2 -8.7 14.3 15.6 73 97 A G H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.903 109.2 47.0 -64.3 -44.3 -6.6 13.5 18.6 74 98 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.929 109.7 53.5 -66.0 -45.2 -9.1 11.0 20.0 75 99 A K H X S+ 0 0 118 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.900 111.2 47.9 -52.0 -44.4 -9.5 9.4 16.6 76 100 A R H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 108.6 51.5 -67.7 -41.1 -5.7 9.0 16.5 77 101 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 110.7 50.6 -61.0 -41.9 -5.4 7.6 20.0 78 102 A K H X S+ 0 0 50 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.909 109.4 50.2 -63.1 -37.9 -8.0 5.0 19.0 79 103 A E H X S+ 0 0 96 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.897 109.4 50.6 -70.5 -39.5 -6.2 4.0 15.9 80 104 A F H X S+ 0 0 13 -4,-2.4 4,-0.6 2,-0.2 3,-0.4 0.947 112.6 47.0 -60.7 -46.9 -2.9 3.5 17.7 81 105 A L H >< S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.957 112.4 49.3 -58.5 -49.4 -4.7 1.3 20.3 82 106 A E H 3< S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.706 99.7 67.0 -64.3 -22.7 -6.4 -0.7 17.6 83 107 A S H 3< S+ 0 0 55 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.725 108.6 38.0 -73.5 -17.6 -3.2 -1.1 15.7 84 108 A S S << S+ 0 0 19 -3,-1.7 3,-0.4 -4,-0.6 -1,-0.3 -0.593 82.1 167.3-130.2 69.1 -1.9 -3.3 18.6 85 109 A P + 0 0 54 0, 0.0 -66,-0.2 0, 0.0 -65,-0.1 -0.257 58.8 31.8 -75.2 166.5 -4.9 -5.4 19.8 86 110 A N S S+ 0 0 118 -68,-2.9 2,-0.3 1,-0.2 -66,-0.2 0.859 97.1 120.7 57.5 42.3 -4.6 -8.4 22.1 87 111 A T - 0 0 51 -3,-0.4 -66,-1.7 -68,-0.2 2,-1.1 -0.966 69.9-126.0-139.3 143.5 -1.6 -6.8 23.9 88 112 A Q E -b 21 0B 68 -2,-0.3 -66,-0.2 -68,-0.2 -68,-0.1 -0.806 40.0-154.7 -89.2 93.5 -0.6 -5.7 27.3 89 113 A W E -b 22 0B 0 -68,-2.2 -66,-2.9 -2,-1.1 2,-0.4 -0.296 13.2-120.5 -61.8 150.5 0.4 -2.2 26.6 90 114 A E E >> -b 23 0B 4 -68,-0.2 4,-1.7 1,-0.1 3,-0.8 -0.746 20.6-127.1 -87.2 142.0 2.8 -0.3 28.8 91 115 A L H 3> S+ 0 0 0 -68,-2.5 4,-3.1 -2,-0.4 5,-0.3 0.878 108.4 61.3 -55.6 -41.3 1.3 2.9 30.3 92 116 A R H 3> S+ 0 0 24 -69,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.866 104.1 50.1 -54.8 -37.2 4.2 5.0 29.0 93 117 A A H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.925 111.3 46.5 -69.1 -45.1 3.2 4.0 25.4 94 118 A F H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.918 113.3 49.7 -60.2 -45.6 -0.4 4.9 25.9 95 119 A M H X S+ 0 0 2 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.865 108.6 53.9 -64.0 -32.6 0.6 8.2 27.5 96 120 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.910 107.2 50.3 -65.3 -44.1 3.0 8.8 24.5 97 121 A V H < S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.944 114.9 44.8 -56.3 -45.7 0.1 8.3 22.1 98 122 A M H >X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 3,-1.1 0.958 115.4 46.0 -61.7 -55.2 -2.0 10.8 24.1 99 123 A H H 3X S+ 0 0 20 -4,-2.9 4,-1.3 1,-0.3 6,-0.3 0.903 115.5 44.9 -57.3 -48.7 0.7 13.3 24.5 100 124 A F H 3< S+ 0 0 0 -4,-2.8 7,-1.0 1,-0.2 -1,-0.3 0.397 120.8 40.8 -84.8 5.5 1.9 13.3 20.9 101 125 A S H <4 S+ 0 0 1 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.624 120.7 35.1-115.1 -28.2 -1.7 13.4 19.5 102 126 A L H < S+ 0 0 16 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.607 107.2 63.9-107.1 -16.2 -3.5 15.9 21.8 103 127 A T S < S- 0 0 44 -4,-1.3 -49,-0.0 2,-0.4 -4,-0.0 -0.369 92.1 -97.9-106.0-175.2 -0.9 18.5 22.6 104 128 A A S S+ 0 0 109 -2,-0.1 2,-0.7 2,-0.0 -4,-0.1 0.696 104.9 85.2 -73.2 -19.3 1.2 21.1 20.8 105 129 A D - 0 0 28 -6,-0.3 2,-0.4 157,-0.0 -2,-0.4 -0.766 68.3-179.3 -84.2 110.0 4.0 18.6 20.8 106 130 A R - 0 0 131 -2,-0.7 2,-0.4 -4,-0.1 -5,-0.1 -0.948 20.1-176.5-123.3 133.2 3.3 16.5 17.7 107 131 A I - 0 0 8 -7,-1.0 149,-0.0 -2,-0.4 -2,-0.0 -0.994 33.3-114.0-120.7 138.5 5.1 13.6 16.2 108 132 A D > - 0 0 76 -2,-0.4 4,-2.9 1,-0.1 5,-0.3 -0.216 30.6-103.2 -69.2 160.5 3.9 12.1 12.9 109 133 A D H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.817 115.4 57.8 -51.7 -43.1 2.5 8.5 12.7 110 134 A D H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.964 116.2 32.7 -60.0 -50.4 5.6 6.9 11.2 111 135 A I H > S+ 0 0 1 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 116.7 55.6 -72.8 -39.1 7.9 8.0 14.0 112 136 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.893 105.4 53.7 -65.4 -37.6 5.3 7.8 16.8 113 137 A K H X S+ 0 0 57 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.895 106.7 51.4 -61.6 -41.0 4.6 4.1 15.8 114 138 A V H X S+ 0 0 40 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.932 113.4 45.9 -57.3 -46.1 8.3 3.3 16.1 115 139 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.930 114.0 47.3 -61.2 -50.0 8.3 4.8 19.6 116 140 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.918 112.1 48.8 -63.1 -44.2 5.1 3.2 20.7 117 141 A D H X S+ 0 0 47 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.903 110.9 52.1 -65.2 -39.6 6.1 -0.3 19.5 118 142 A S H <>S+ 0 0 18 -4,-2.0 5,-3.0 -5,-0.2 3,-0.4 0.960 112.7 44.7 -57.2 -52.6 9.5 0.1 21.3 119 143 A M H ><5S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.909 112.0 51.5 -59.3 -43.8 7.8 1.0 24.5 120 144 A N H 3<5S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.764 108.7 51.3 -67.4 -26.1 5.2 -1.7 24.3 121 145 A H T 3<5S- 0 0 153 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.093 122.1-105.7 -98.4 20.7 7.9 -4.3 23.7 122 146 A H T < 5S+ 0 0 90 -3,-1.6 -3,-0.2 1,-0.2 2,-0.1 0.800 75.7 136.0 68.0 29.1 9.8 -3.1 26.8 123 147 A G < - 0 0 23 -5,-3.0 2,-0.7 -6,-0.2 -1,-0.2 -0.454 65.0-101.3 -97.5 178.2 12.6 -1.4 24.8 124 148 A D > - 0 0 17 1,-0.1 4,-1.9 -2,-0.1 3,-0.2 -0.908 28.1-164.8 -99.3 108.6 14.3 2.0 25.2 125 149 A A H > S+ 0 0 2 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.790 87.2 61.3 -68.2 -27.6 12.6 4.2 22.6 126 150 A R H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 106.2 46.4 -62.0 -44.2 15.4 6.8 22.9 127 151 A S H > S+ 0 0 26 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 111.3 52.2 -64.2 -41.8 17.9 4.1 21.8 128 152 A K H X S+ 0 0 80 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.931 110.8 47.1 -60.3 -46.0 15.6 3.1 18.9 129 153 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.910 110.6 52.7 -63.4 -40.6 15.3 6.7 17.7 130 154 A R H X S+ 0 0 144 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.921 110.3 48.2 -59.4 -45.3 19.1 7.2 17.9 131 155 A E H X S+ 0 0 99 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.918 112.8 46.9 -65.3 -45.2 19.7 4.1 15.8 132 156 A E H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.936 112.3 50.5 -61.5 -46.9 17.2 5.1 13.1 133 157 A L H X S+ 0 0 25 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.889 107.3 54.5 -60.4 -41.3 18.5 8.6 13.0 134 158 A A H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.911 110.2 45.9 -59.4 -44.4 22.1 7.3 12.6 135 159 A E H X S+ 0 0 94 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.927 115.6 45.9 -65.0 -45.4 21.2 5.2 9.6 136 160 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 112.0 51.7 -63.6 -43.4 19.2 8.0 8.0 137 161 A T H X S+ 0 0 66 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.879 110.5 48.6 -62.8 -37.5 22.0 10.5 8.6 138 162 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.878 110.2 50.5 -70.2 -40.7 24.5 8.2 7.0 139 163 A E H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.927 110.6 50.3 -61.9 -42.5 22.3 7.7 3.9 140 164 A L H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.893 107.1 54.6 -59.4 -39.6 22.0 11.5 3.7 141 165 A K H X S+ 0 0 81 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.908 108.3 48.8 -62.3 -43.5 25.8 11.9 3.9 142 166 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 110.9 50.1 -62.3 -46.3 26.2 9.5 1.0 143 167 A Y H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.864 106.5 55.9 -60.1 -36.0 23.6 11.4 -1.0 144 168 A S H X S+ 0 0 63 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.864 106.1 50.8 -65.6 -35.0 25.4 14.7 -0.2 145 169 A V H X S+ 0 0 23 -4,-1.6 4,-1.9 -3,-0.2 -2,-0.2 0.935 112.9 46.0 -63.2 -45.3 28.6 13.2 -1.7 146 170 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.935 112.1 51.0 -64.3 -47.5 26.7 12.2 -4.9 147 171 A Q H X S+ 0 0 35 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.883 108.2 51.7 -56.8 -41.5 25.0 15.6 -5.0 148 172 A A H X S+ 0 0 58 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.893 110.9 48.2 -64.4 -40.8 28.4 17.4 -4.7 149 173 A E H X S+ 0 0 33 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.913 113.4 47.2 -68.0 -41.3 29.8 15.4 -7.6 150 174 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.2 0.947 110.5 52.2 -61.2 -47.3 26.7 16.0 -9.8 151 175 A N H X S+ 0 0 70 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.801 102.5 59.5 -64.8 -30.0 26.8 19.7 -9.0 152 176 A K H X S+ 0 0 113 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.944 111.2 40.8 -60.1 -49.7 30.5 19.9 -10.0 153 177 A H H <>S+ 0 0 38 -4,-1.5 5,-2.2 -3,-0.2 4,-0.5 0.878 112.3 54.5 -70.3 -36.9 29.6 18.6 -13.5 154 178 A L H ><5S+ 0 0 74 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.946 109.1 49.0 -59.2 -45.6 26.4 20.7 -13.8 155 179 A S H 3<5S+ 0 0 103 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.846 116.8 42.1 -61.6 -35.2 28.4 23.9 -13.0 156 180 A S T 3<5S- 0 0 89 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.349 106.6-124.5 -94.7 4.2 31.0 23.0 -15.7 157 181 A S T < 5 + 0 0 70 -3,-1.3 -3,-0.2 -4,-0.5 78,-0.1 0.771 69.4 136.8 54.6 27.6 28.4 21.8 -18.3 158 182 A G < - 0 0 23 -5,-2.2 77,-2.1 -6,-0.2 2,-0.5 -0.012 58.3 -95.0 -94.4-164.0 30.4 18.6 -18.2 159 183 A T E -D 234 0C 71 75,-0.2 2,-0.5 76,-0.1 75,-0.3 -0.968 25.6-154.4-124.6 121.3 29.5 14.9 -18.2 160 184 A I E -D 233 0C 3 73,-2.5 73,-2.2 -2,-0.5 2,-0.5 -0.810 6.3-151.8 -95.1 133.4 29.3 12.8 -15.0 161 185 A N E +D 232 0C 39 -2,-0.5 6,-0.4 4,-0.3 71,-0.3 -0.908 15.2 178.1-100.1 129.1 30.0 9.0 -15.3 162 186 A I + 0 0 0 69,-2.5 51,-2.5 -2,-0.5 52,-0.4 0.246 67.1 51.8-116.2 11.9 28.1 7.1 -12.6 163 187 A H S > S- 0 0 57 68,-0.8 3,-2.0 49,-0.1 49,-0.2 0.352 120.5 -9.5-115.1-113.9 29.2 3.6 -13.8 164 188 A D T 3 S+ 0 0 70 1,-0.3 -3,-0.0 47,-0.1 67,-0.0 0.672 140.4 41.6 -72.8 -13.3 32.8 2.3 -14.5 165 189 A K T 3 S+ 0 0 159 66,-0.2 -1,-0.3 35,-0.0 -4,-0.3 0.068 91.9 128.4-113.0 21.8 34.4 5.8 -14.2 166 190 A S S < S- 0 0 14 -3,-2.0 -4,-0.2 1,-0.1 2,-0.1 -0.331 72.0 -97.2 -68.7 155.6 32.3 6.7 -11.2 167 191 A I - 0 0 41 -6,-0.4 2,-0.8 1,-0.1 45,-0.3 -0.437 46.7-112.5 -58.1 150.4 33.7 8.1 -8.0 168 192 A N > - 0 0 30 1,-0.1 3,-1.8 43,-0.1 43,-0.2 -0.841 23.2-161.9 -96.7 111.4 34.0 5.1 -5.6 169 193 A L T 3 S+ 0 0 0 41,-3.0 -1,-0.1 -2,-0.8 42,-0.1 0.609 88.0 67.7 -71.3 -11.4 31.5 5.6 -2.8 170 194 A M T 3 S+ 0 0 28 40,-0.2 2,-0.8 22,-0.1 -1,-0.3 0.332 71.4 113.5 -84.4 4.3 33.5 3.0 -0.8 171 195 A D X - 0 0 65 -3,-1.8 3,-2.1 1,-0.2 4,-0.3 -0.696 60.8-151.0 -81.6 111.2 36.5 5.5 -0.5 172 196 A K G > >S+ 0 0 48 -2,-0.8 5,-1.8 1,-0.3 3,-1.8 0.794 90.0 69.5 -52.7 -29.2 36.8 6.4 3.1 173 197 A N G > 5S+ 0 0 96 1,-0.3 3,-1.1 3,-0.2 -1,-0.3 0.753 85.1 67.6 -67.3 -22.6 38.3 9.7 2.2 174 198 A L G < 5S+ 0 0 66 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.699 107.0 41.8 -65.9 -19.0 34.9 11.0 0.8 175 199 A Y G < 5S- 0 0 10 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.211 124.2 -97.2-115.7 9.8 33.6 10.9 4.3 176 200 A G T < 5S+ 0 0 70 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.456 76.3 139.9 92.5 2.7 36.5 12.4 6.2 177 201 A Y < + 0 0 53 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.585 30.2 178.5 -86.6 140.2 38.1 9.1 7.3 178 202 A T + 0 0 129 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.306 69.7 62.5-115.3 4.8 41.8 8.4 7.3 179 203 A D > - 0 0 70 1,-0.1 4,-2.3 -7,-0.1 5,-0.2 -0.986 66.7-150.1-133.5 125.7 41.7 4.9 8.8 180 204 A E H > S+ 0 0 68 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.855 97.3 53.0 -61.2 -38.1 40.0 1.9 7.1 181 205 A E H > S+ 0 0 158 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.898 110.0 48.5 -67.4 -39.1 39.1 0.1 10.3 182 206 A I H >4 S+ 0 0 103 2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.938 111.3 50.8 -63.4 -44.6 37.4 3.2 11.7 183 207 A F H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 6,-0.5 0.906 104.7 57.3 -58.0 -40.4 35.5 3.7 8.4 184 208 A K H 3< S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.747 104.6 52.7 -67.7 -20.1 34.4 0.0 8.5 185 209 A A T << S+ 0 0 69 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.471 92.3 107.4 -87.4 -2.8 32.8 0.7 11.9 186 210 A S S <> S- 0 0 9 -3,-1.8 4,-1.8 -4,-0.4 5,-0.1 -0.348 78.9-122.8 -80.2 154.7 30.8 3.7 10.6 187 211 A A H > S+ 0 0 34 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.874 114.6 58.1 -56.1 -38.4 27.1 4.1 9.9 188 212 A E H >> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 3,-0.6 0.936 105.6 47.0 -60.4 -51.0 28.1 5.0 6.3 189 213 A Y H 3> S+ 0 0 40 -6,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.879 103.9 62.1 -58.0 -38.7 30.0 1.7 5.8 190 214 A K H 3< S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.855 111.4 39.2 -60.1 -32.3 27.0 -0.2 7.2 191 215 A I H X< S+ 0 0 18 -4,-1.3 3,-1.6 -3,-0.6 4,-0.2 0.914 115.9 51.2 -76.0 -47.8 24.9 1.1 4.3 192 216 A L H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.826 99.8 62.4 -64.3 -34.7 27.7 0.8 1.7 193 217 A E T 3< S+ 0 0 112 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.1 0.676 101.0 55.0 -65.6 -15.1 28.5 -2.8 2.5 194 218 A K T < S+ 0 0 131 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.456 92.8 98.4 -91.6 -0.9 24.9 -3.8 1.4 195 219 A M S < S- 0 0 10 -3,-1.8 20,-0.1 -4,-0.2 19,-0.1 -0.539 81.5-101.7 -93.5 151.7 25.3 -2.1 -2.0 196 220 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.264 37.8-140.3 -59.4 156.5 26.2 -3.7 -5.3 197 221 A Q - 0 0 92 13,-0.1 2,-0.4 17,-0.1 13,-0.2 -0.888 3.6-144.8-124.2 153.2 29.8 -3.4 -6.5 198 222 A T E -E 209 0D 16 11,-2.7 11,-2.3 -2,-0.3 2,-0.5 -0.932 16.4-132.9-117.5 138.4 31.2 -2.7 -9.9 199 223 A T E +E 208 0D 66 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.832 29.3 171.4 -97.4 130.1 34.5 -4.3 -11.1 200 224 A I E -E 207 0D 39 7,-2.6 7,-2.7 -2,-0.5 2,-0.5 -0.867 29.5-120.5-128.0 160.8 37.0 -2.0 -12.8 201 225 A Q E -E 206 0D 126 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.901 25.7-177.6-107.0 133.6 40.6 -2.6 -13.8 202 226 A V E > S-E 205 0D 77 3,-3.6 3,-2.1 -2,-0.5 -2,-0.0 -0.968 73.0 -21.8-130.4 118.3 43.4 -0.5 -12.5 203 227 A D T 3 S- 0 0 169 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.822 128.4 -51.6 58.4 31.1 47.0 -1.0 -13.6 204 228 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.521 119.9 103.3 82.5 7.3 46.1 -4.5 -14.7 205 229 A S E < S-E 202 0D 79 -3,-2.1 -3,-3.6 0, 0.0 -1,-0.3 -0.899 75.2-110.0-116.8 150.9 44.5 -5.5 -11.4 206 230 A E E -E 201 0D 70 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.558 33.7-171.9 -76.9 140.8 40.8 -5.8 -10.6 207 231 A K E -E 200 0D 105 -7,-2.7 -7,-2.6 -2,-0.2 2,-0.4 -0.993 14.0-140.2-132.2 137.5 39.4 -3.2 -8.2 208 232 A K E +E 199 0D 112 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.855 25.4 173.0 -98.6 135.9 35.9 -3.2 -6.6 209 233 A I E -E 198 0D 7 -11,-2.3 -11,-2.7 -2,-0.4 2,-0.7 -0.927 36.2-128.2-129.6 160.0 33.9 0.1 -6.3 210 234 A V - 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