==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 18-OCT-06 2ISO . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.A.SUCATO,T.G.UPTON,B.A.KASHEMIROV,V.MARTINEK,Y.XIANG, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 1 1 1 2 2 1 1 0 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 10 A T > 0 0 179 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 4.5 9.9 -15.3 12.7 2 11 A L T 3 + 0 0 93 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.861 360.0 17.7 -58.8 -36.6 10.9 -17.7 9.9 3 12 A N T 3> S+ 0 0 15 35,-0.1 4,-2.4 1,-0.1 -1,-0.3 -0.245 88.8 140.0-126.1 38.6 14.3 -16.0 10.0 4 13 A G H <> + 0 0 16 -3,-1.5 4,-2.3 1,-0.2 5,-0.2 0.839 66.3 56.3 -53.5 -40.1 13.9 -14.5 13.4 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.973 110.9 43.3 -58.1 -54.5 17.4 -15.1 14.5 6 15 A I H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.928 114.7 47.8 -57.1 -51.8 18.9 -13.3 11.6 7 16 A T H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.861 109.0 53.8 -63.3 -35.2 16.6 -10.3 11.7 8 17 A D H X S+ 0 0 110 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.934 109.0 50.9 -63.2 -42.2 17.0 -9.8 15.4 9 18 A M H X S+ 0 0 7 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.945 110.2 47.7 -58.8 -50.5 20.8 -9.7 14.8 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.911 112.1 50.2 -59.4 -41.5 20.5 -7.1 12.1 11 20 A T H X S+ 0 0 63 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.921 109.7 50.0 -64.6 -41.4 18.2 -5.0 14.3 12 21 A E H X S+ 0 0 62 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.920 113.1 47.3 -62.1 -42.2 20.6 -5.2 17.2 13 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.902 110.3 53.1 -65.0 -39.1 23.3 -4.1 14.9 14 23 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.940 108.9 48.9 -60.4 -47.9 21.1 -1.3 13.5 15 24 A N H X S+ 0 0 66 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.875 109.0 53.5 -60.6 -38.2 20.4 -0.1 17.0 16 25 A F H X>S+ 0 0 27 -4,-2.0 5,-2.1 2,-0.2 4,-1.6 0.934 109.6 47.0 -63.6 -46.7 24.2 -0.1 17.8 17 26 A E H <>S+ 0 0 5 -4,-2.2 6,-2.9 3,-0.2 5,-0.8 0.923 118.8 41.7 -61.7 -42.8 25.0 2.0 14.8 18 27 A K H <5S+ 0 0 65 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.970 125.3 30.9 -68.3 -56.2 22.3 4.5 15.5 19 28 A N H <5S+ 0 0 17 -4,-3.0 -3,-0.2 -5,-0.2 84,-0.2 0.947 134.6 20.1 -71.2 -52.8 22.6 4.8 19.3 20 29 A V T <5S+ 0 0 12 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.914 132.2 34.7 -87.3 -50.9 26.4 4.2 19.9 21 30 A S T > + 0 0 28 -6,-2.9 4,-2.3 1,-0.1 3,-0.7 -0.742 25.1 179.5-115.6 79.2 26.0 6.3 12.0 24 33 A I H 3> S+ 0 0 78 -2,-0.6 4,-2.3 1,-0.3 -1,-0.1 0.766 78.3 52.8 -53.5 -32.6 22.4 6.8 10.8 25 34 A H H 3> S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.861 109.6 47.4 -75.2 -34.5 23.1 5.4 7.3 26 35 A K H <> S+ 0 0 118 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.887 110.4 55.9 -69.0 -37.2 24.6 2.2 8.7 27 36 A Y H X S+ 0 0 33 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.961 111.6 40.7 -56.9 -54.4 21.5 2.1 10.9 28 37 A N H X S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.814 110.0 59.5 -66.8 -30.3 19.2 2.3 8.0 29 38 A A H X S+ 0 0 53 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.940 109.2 43.9 -63.1 -45.7 21.3 -0.1 6.0 30 39 A Y H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.890 112.4 52.8 -65.8 -39.5 20.8 -2.8 8.7 31 40 A R H X S+ 0 0 35 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.925 107.6 50.2 -62.9 -46.1 17.1 -2.0 9.0 32 41 A K H X S+ 0 0 101 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.892 111.8 49.4 -59.1 -40.2 16.5 -2.4 5.3 33 42 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 22,-0.3 -1,-0.2 0.931 111.7 48.2 -64.2 -46.8 18.3 -5.8 5.4 34 43 A A H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.944 114.3 47.7 -57.7 -48.9 16.3 -6.9 8.4 35 44 A S H X S+ 0 0 12 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.949 111.1 46.9 -59.4 -54.8 13.1 -5.8 6.6 36 45 A V H < S+ 0 0 18 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.845 116.5 47.1 -59.6 -31.4 13.7 -7.4 3.2 37 46 A I H >< S+ 0 0 1 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.2 0.832 105.8 57.1 -78.1 -34.1 14.7 -10.6 5.0 38 47 A A H 3< S+ 0 0 74 -4,-2.3 -36,-0.2 1,-0.3 -2,-0.2 0.821 109.9 47.1 -64.2 -30.0 11.7 -10.6 7.4 39 48 A K T 3< S+ 0 0 127 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.578 85.0 113.0 -86.9 -13.9 9.6 -10.6 4.2 40 49 A Y < - 0 0 44 -3,-0.6 4,-0.1 -4,-0.4 -38,-0.1 -0.480 61.8-147.4 -66.2 119.6 11.6 -13.4 2.6 41 50 A P S S+ 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.128 71.7 74.2 -76.7 22.0 9.2 -16.5 2.4 42 51 A H S S- 0 0 106 -39,-0.0 2,-0.9 0, 0.0 -2,-0.1 -0.978 86.9-111.4-136.3 149.1 12.1 -19.0 2.8 43 52 A K - 0 0 131 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.701 48.5-120.2 -78.0 109.7 14.2 -20.1 5.8 44 53 A I - 0 0 5 -2,-0.9 3,-0.1 1,-0.1 -1,-0.1 -0.268 31.2-176.3 -57.2 132.1 17.6 -18.7 4.8 45 54 A K + 0 0 139 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.586 62.5 4.5-105.0 -15.7 20.3 -21.3 4.4 46 55 A S > - 0 0 38 1,-0.1 4,-1.9 22,-0.0 -1,-0.2 -0.992 66.3-109.1-163.1 165.2 23.3 -19.1 3.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.913 118.9 55.7 -65.0 -41.4 24.7 -15.6 3.4 48 57 A A H > S+ 0 0 68 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.908 105.6 50.5 -57.0 -45.4 24.9 -16.1 -0.4 49 58 A E H >4 S+ 0 0 40 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.925 113.9 47.1 -58.0 -42.5 21.2 -17.0 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.841 100.7 64.5 -67.6 -36.0 20.7 -13.8 1.5 51 60 A K H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.3 5,-0.2 0.708 87.1 72.2 -63.7 -19.0 22.9 -11.6 -0.7 52 61 A K T << S+ 0 0 172 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.857 84.2 84.1 -63.0 -34.0 20.5 -12.2 -3.6 53 62 A L S X S- 0 0 26 -3,-1.4 3,-1.4 -4,-0.4 2,-0.4 -0.418 93.4-107.1 -72.0 144.0 18.0 -9.9 -1.8 54 63 A P T 3 S+ 0 0 102 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.587 105.8 33.7 -74.9 122.4 18.4 -6.1 -2.3 55 64 A G T 3 S+ 0 0 36 -2,-0.4 2,-0.7 1,-0.2 -22,-0.3 0.137 94.3 101.0 117.8 -16.7 19.8 -4.4 0.7 56 65 A V < + 0 0 7 -3,-1.4 -1,-0.2 -6,-0.2 2,-0.1 -0.899 50.7 173.0-104.4 111.0 22.0 -7.4 1.7 57 66 A G > - 0 0 34 -2,-0.7 4,-1.3 -3,-0.1 5,-0.1 -0.056 49.4 -76.5 -97.8-157.6 25.6 -6.8 0.7 58 67 A T H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 124.8 54.1 -69.8 -48.0 28.8 -8.7 1.3 59 68 A K H > S+ 0 0 142 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 112.9 42.0 -54.7 -45.6 29.3 -7.6 4.9 60 69 A I H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.823 110.4 57.3 -74.1 -31.1 25.9 -8.7 6.0 61 70 A A H X S+ 0 0 9 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.910 107.5 49.1 -64.4 -41.7 26.1 -12.0 4.0 62 71 A E H X S+ 0 0 128 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.911 110.2 50.4 -63.1 -43.0 29.3 -12.8 6.0 63 72 A K H X S+ 0 0 31 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.865 107.1 54.3 -64.5 -36.3 27.6 -12.1 9.3 64 73 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.867 106.3 51.9 -66.5 -36.4 24.7 -14.3 8.4 65 74 A D H X S+ 0 0 76 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.927 110.5 48.4 -64.8 -44.5 27.1 -17.2 7.7 66 75 A E H X>S+ 0 0 36 -4,-2.0 4,-3.2 2,-0.2 5,-0.6 0.932 113.8 47.2 -60.5 -45.3 28.6 -16.7 11.1 67 76 A F H X5S+ 0 0 43 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.927 113.5 46.5 -62.5 -46.7 25.2 -16.6 12.7 68 77 A L H <5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 118.0 44.6 -63.2 -36.4 24.0 -19.7 10.9 69 78 A A H <5S+ 0 0 85 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.925 132.7 14.7 -75.2 -46.8 27.2 -21.5 11.7 70 79 A T H <5S- 0 0 86 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.2 0.666 93.6-121.7-104.1 -22.6 27.5 -20.5 15.4 71 80 A G S < - 0 0 4 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.992 9.2-153.4-130.6 122.5 27.8 -12.9 16.2 74 83 A R H > S+ 0 0 158 -2,-0.4 4,-2.4 1,-0.2 5,-0.3 0.900 97.1 61.5 -60.2 -41.4 31.1 -12.2 18.0 75 84 A K H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 110.4 40.5 -52.7 -41.1 30.8 -8.5 16.9 76 85 A L H > S+ 0 0 4 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.871 108.2 61.0 -75.6 -38.5 27.6 -8.3 19.0 77 86 A E H X S+ 0 0 74 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.905 108.9 43.8 -54.5 -43.5 29.0 -10.4 21.8 78 87 A K H X S+ 0 0 153 -4,-2.4 4,-1.3 2,-0.2 3,-0.4 0.901 109.5 55.7 -69.5 -42.2 31.7 -7.8 22.4 79 88 A I H >< S+ 0 0 18 -4,-1.4 3,-0.6 -5,-0.3 7,-0.3 0.909 107.8 50.0 -57.2 -41.0 29.3 -4.9 22.1 80 89 A R H 3< S+ 0 0 111 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.789 109.4 51.5 -67.1 -28.6 27.2 -6.4 24.8 81 90 A Q H 3< S+ 0 0 145 -4,-1.0 2,-0.6 -3,-0.4 -1,-0.2 0.648 88.9 96.4 -81.7 -17.9 30.2 -6.8 27.0 82 91 A D S+ 0 0 120 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.908 90.5 48.9 -60.9 -45.4 29.9 -1.1 29.4 84 93 A T H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.951 113.4 46.4 -62.4 -47.4 29.7 2.2 27.6 85 94 A S H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.930 113.8 49.8 -58.3 -46.1 27.9 0.8 24.6 86 95 A S H X S+ 0 0 45 -4,-2.4 4,-2.1 -7,-0.3 -1,-0.2 0.900 112.1 47.5 -59.6 -44.4 25.5 -1.1 26.9 87 96 A S H X S+ 0 0 18 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.900 113.3 47.2 -66.1 -42.4 24.8 2.1 28.9 88 97 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.928 111.4 50.6 -66.4 -44.9 24.2 4.3 25.9 89 98 A N H < S+ 0 0 38 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.919 113.6 46.6 -58.9 -44.2 21.9 1.7 24.3 90 99 A F H >< S+ 0 0 45 -4,-2.1 3,-2.8 -5,-0.2 4,-0.3 0.984 110.2 50.3 -62.1 -58.9 19.9 1.5 27.5 91 100 A L H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.842 102.4 61.7 -48.9 -40.2 19.6 5.2 28.1 92 101 A T T 3< S+ 0 0 23 -4,-2.2 -1,-0.3 1,-0.3 5,-0.2 0.639 87.4 75.5 -64.3 -11.4 18.4 5.8 24.6 93 102 A R T < S+ 0 0 125 -3,-2.8 2,-0.5 -4,-0.4 -1,-0.3 0.659 76.2 91.1 -73.8 -15.2 15.4 3.6 25.4 94 103 A V S X S- 0 0 2 -3,-2.1 3,-2.4 -4,-0.3 2,-0.2 -0.704 93.1-111.5 -82.1 126.6 14.0 6.5 27.4 95 104 A S T 3 S+ 0 0 36 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.394 105.6 25.7 -59.8 124.0 11.7 8.6 25.2 96 105 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.240 97.1 103.2 105.3 -14.6 13.4 12.0 24.7 97 106 A I < + 0 0 6 -3,-2.4 -1,-0.2 -5,-0.2 -3,-0.1 -0.913 50.0 177.6-104.8 113.7 16.9 10.6 25.3 98 107 A G > - 0 0 28 -2,-0.7 4,-2.8 -3,-0.1 5,-0.2 -0.364 48.4 -78.3-102.2-173.4 18.8 10.2 22.0 99 108 A P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 128.5 46.7 -51.9 -46.1 22.3 9.1 21.1 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.973 115.0 43.2 -64.2 -56.9 23.9 12.5 22.0 101 110 A A H > S+ 0 0 24 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.884 114.1 53.2 -58.2 -39.3 22.1 12.9 25.4 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.953 111.3 44.2 -61.6 -50.0 22.8 9.3 26.2 103 112 A R H X S+ 0 0 89 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.892 114.0 51.7 -62.3 -39.2 26.5 9.6 25.6 104 113 A K H X S+ 0 0 122 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.925 109.1 49.2 -64.5 -44.6 26.5 12.9 27.5 105 114 A F H >X>S+ 0 0 13 -4,-2.9 5,-2.6 1,-0.2 3,-1.0 0.918 109.2 51.7 -60.8 -44.8 24.8 11.4 30.5 106 115 A V H ><5S+ 0 0 15 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.883 104.9 58.2 -59.3 -36.6 27.2 8.5 30.6 107 116 A D H 3<5S+ 0 0 128 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.763 108.6 45.8 -63.5 -25.8 30.0 11.1 30.5 108 117 A E H <<5S- 0 0 86 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.449 125.0-100.4 -96.5 -3.4 28.5 12.5 33.7 109 118 A G T <<5S+ 0 0 45 -3,-1.2 2,-1.0 -4,-0.6 -3,-0.2 0.547 81.2 130.4 96.7 8.2 28.1 9.2 35.5 110 119 A I < + 0 0 7 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.2 -0.827 18.9 137.7 -97.2 98.9 24.3 8.7 34.8 111 120 A K + 0 0 87 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.470 50.7 53.3-121.9 -6.9 24.1 5.2 33.4 112 121 A T S > S- 0 0 54 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.784 81.7-108.3-128.8 174.1 21.2 3.5 35.0 113 122 A L H > S+ 0 0 40 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.931 123.3 52.7 -62.8 -45.2 17.4 3.9 35.7 114 123 A E H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 109.2 49.6 -54.8 -47.0 18.3 4.5 39.3 115 124 A D H > S+ 0 0 20 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.934 110.0 49.8 -59.1 -49.0 20.8 7.2 38.2 116 125 A L H >< S+ 0 0 1 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.899 108.9 53.6 -57.2 -42.9 18.2 8.9 36.0 117 126 A R H >< S+ 0 0 145 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.858 109.4 45.3 -62.9 -39.4 15.6 8.9 38.8 118 127 A K H 3< S+ 0 0 125 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.490 114.7 52.2 -83.6 -2.1 17.8 10.6 41.3 119 128 A N T X< + 0 0 30 -3,-0.9 3,-2.3 -4,-0.6 -1,-0.2 -0.057 61.7 130.4-121.7 31.1 18.9 13.1 38.6 120 129 A E G X + 0 0 83 -3,-0.8 3,-2.6 1,-0.3 -1,-0.1 0.843 66.9 70.2 -52.5 -35.0 15.5 14.3 37.3 121 130 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.791 95.8 53.8 -53.5 -28.7 16.7 17.8 37.7 122 131 A K G < S+ 0 0 94 -3,-2.3 2,-0.4 -6,-0.2 -1,-0.3 0.363 94.4 88.8 -90.1 6.3 19.0 17.2 34.8 123 132 A L S < S- 0 0 9 -3,-2.6 -26,-0.0 -4,-0.2 2,-0.0 -0.850 72.1-129.9-108.2 139.0 16.2 16.0 32.4 124 133 A N > - 0 0 84 -2,-0.4 4,-2.2 -28,-0.1 5,-0.2 -0.245 41.9 -91.0 -74.3 173.7 14.1 18.2 30.1 125 134 A H H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.913 125.6 47.7 -52.0 -52.3 10.3 17.9 30.2 126 135 A H H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.949 112.8 48.4 -56.1 -51.7 10.0 15.2 27.5 127 136 A Q H > S+ 0 0 13 -31,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.842 108.2 56.2 -58.9 -34.1 12.8 13.1 29.1 128 137 A R H X S+ 0 0 100 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.903 110.1 43.2 -66.7 -40.7 11.1 13.4 32.5 129 138 A I H X S+ 0 0 12 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.907 110.7 56.2 -71.1 -40.5 7.9 12.0 31.2 130 139 A G H < S+ 0 0 1 -4,-2.7 -35,-0.3 -35,-0.4 -2,-0.2 0.877 110.8 44.6 -57.1 -39.0 9.7 9.3 29.3 131 140 A L H >< S+ 0 0 5 -4,-2.0 3,-2.1 -5,-0.2 4,-0.3 0.932 108.7 56.4 -69.9 -47.4 11.4 8.2 32.5 132 141 A K H 3< S+ 0 0 128 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.895 119.3 31.6 -51.2 -46.4 8.2 8.3 34.5 133 142 A Y T 3X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 -0.072 82.5 128.5-104.1 31.9 6.4 5.9 32.1 134 143 A F H <> S+ 0 0 26 -3,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.933 76.3 41.2 -52.5 -52.2 9.6 4.0 31.2 135 144 A G H >4 S+ 0 0 40 -4,-0.3 3,-1.7 -3,-0.3 4,-0.4 0.975 114.8 50.0 -61.1 -57.2 8.0 0.6 31.9 136 145 A D H >4 S+ 0 0 36 1,-0.3 3,-2.4 2,-0.2 -2,-0.2 0.873 103.1 57.9 -49.3 -50.6 4.6 1.3 30.4 137 146 A F H 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.662 100.0 61.0 -59.2 -15.9 5.9 2.6 27.1 138 147 A E T << S+ 0 0 101 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.605 89.0 93.3 -85.0 -13.3 7.8 -0.7 26.6 139 148 A K S < S- 0 0 100 -3,-2.4 2,-0.1 -4,-0.4 -3,-0.0 -0.506 76.2-123.4 -82.6 149.7 4.5 -2.6 26.7 140 149 A R - 0 0 146 -2,-0.2 40,-0.2 104,-0.0 -1,-0.1 -0.485 18.9-126.1 -84.8 160.6 2.5 -3.5 23.5 141 150 A I E -A 179 0A 0 38,-2.5 38,-2.2 -2,-0.1 40,-0.1 -0.941 20.4-132.2-111.4 116.8 -1.1 -2.4 23.0 142 151 A P E >> -A 178 0A 55 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.373 21.2-120.6 -63.4 146.8 -3.6 -5.2 22.2 143 152 A R H 3> S+ 0 0 59 34,-2.2 4,-2.6 1,-0.3 5,-0.2 0.846 113.7 64.0 -57.7 -32.6 -5.8 -4.3 19.3 144 153 A E H 3> S+ 0 0 140 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.919 105.9 43.4 -57.3 -42.8 -8.8 -4.8 21.6 145 154 A E H <> S+ 0 0 27 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.824 109.1 57.4 -71.8 -30.9 -7.5 -1.8 23.6 146 155 A M H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.912 105.6 52.1 -64.6 -39.2 -6.7 0.1 20.5 147 156 A L H X S+ 0 0 83 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.894 109.6 47.0 -63.7 -41.8 -10.4 -0.3 19.6 148 157 A Q H X S+ 0 0 61 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.889 113.3 49.9 -66.7 -39.1 -11.6 1.1 22.9 149 158 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.900 108.5 52.0 -64.9 -42.3 -9.2 4.0 22.6 150 159 A Q H X S+ 0 0 52 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.917 108.0 53.2 -58.5 -44.9 -10.4 4.8 19.1 151 160 A D H X S+ 0 0 95 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.919 111.0 45.3 -57.7 -48.9 -13.9 4.8 20.4 152 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.970 115.2 46.9 -60.1 -55.8 -13.1 7.4 23.1 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.907 114.6 44.7 -56.1 -49.4 -11.0 9.6 20.8 154 163 A L H X S+ 0 0 57 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.947 116.4 46.4 -63.3 -46.0 -13.6 9.7 17.9 155 164 A N H X S+ 0 0 60 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.880 113.9 47.4 -64.3 -39.0 -16.5 10.3 20.2 156 165 A E H X S+ 0 0 17 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.914 113.0 49.4 -68.2 -41.3 -14.8 13.0 22.2 157 166 A V H X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.3 3,-0.4 0.927 108.8 52.6 -62.1 -43.9 -13.6 14.7 19.0 158 167 A K H < S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 105.0 56.9 -60.0 -36.6 -17.2 14.5 17.7 159 168 A K H < S+ 0 0 138 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 107.2 48.1 -63.1 -37.1 -18.4 16.2 20.9 160 169 A V H < S- 0 0 40 -4,-1.5 2,-0.3 -3,-0.4 -2,-0.2 0.938 137.1 -12.8 -69.3 -48.4 -16.0 19.1 20.3 161 170 A D >< - 0 0 39 -4,-2.2 3,-2.3 -5,-0.1 -1,-0.3 -0.835 53.6-143.6-160.4 118.1 -17.1 19.6 16.7 162 171 A S T 3 S+ 0 0 98 1,-0.3 -4,-0.1 -2,-0.3 -3,-0.1 0.665 100.5 63.6 -54.5 -18.4 -19.1 17.3 14.5 163 172 A E T 3 S+ 0 0 108 -6,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.583 77.2 100.4 -87.9 -9.6 -17.0 18.3 11.6 164 173 A Y < - 0 0 11 -3,-2.3 2,-0.4 -7,-0.2 24,-0.2 -0.421 58.3-156.3 -69.3 150.2 -13.6 17.0 12.9 165 174 A I E -B 187 0B 78 22,-2.1 22,-1.4 -2,-0.1 2,-0.5 -0.973 6.7-167.4-132.2 118.3 -12.6 13.7 11.4 166 175 A A E -B 186 0B 12 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.931 4.1-173.4-110.0 126.2 -10.2 11.5 13.4 167 176 A T E -B 185 0B 27 18,-2.8 18,-3.3 -2,-0.5 2,-0.6 -0.972 18.8-139.2-121.5 125.9 -8.5 8.6 11.7 168 177 A V E +B 184 0B 6 -2,-0.5 16,-0.2 16,-0.2 2,-0.0 -0.725 36.6 160.8 -85.1 124.1 -6.4 6.0 13.6 169 178 A C >> + 0 0 1 14,-2.6 4,-1.1 -2,-0.6 3,-0.8 0.078 26.3 78.0-115.2-135.3 -3.4 5.2 11.5 170 179 A G H >> S- 0 0 6 93,-2.2 4,-1.1 1,-0.2 3,-0.6 -0.173 115.2 -24.7 58.3-155.3 0.0 3.6 12.2 171 180 A S H 34>S+ 0 0 20 1,-0.2 5,-2.5 2,-0.2 -1,-0.2 0.811 136.0 66.6 -59.9 -29.6 0.1 -0.2 12.6 172 181 A F H X45S+ 0 0 13 -3,-0.8 3,-1.7 1,-0.2 -1,-0.2 0.932 101.5 46.2 -57.1 -48.0 -3.6 -0.1 13.7 173 182 A R H <<5S+ 0 0 65 -4,-1.1 -1,-0.2 -3,-0.6 149,-0.2 0.781 107.0 60.5 -65.5 -25.7 -4.7 1.0 10.2 174 183 A R T 3<5S- 0 0 43 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.327 123.0-107.5 -83.2 7.6 -2.4 -1.7 8.8 175 184 A G T < 5 + 0 0 39 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.611 56.7 171.1 78.4 14.3 -4.4 -4.3 10.7 176 185 A A < - 0 0 27 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.272 35.6-142.5 -60.4 140.3 -1.8 -5.1 13.4 177 186 A E S S+ 0 0 148 1,-0.2 -34,-2.2 -35,-0.1 2,-0.3 0.567 90.0 19.6 -78.4 -9.3 -3.1 -7.3 16.2 178 187 A S E S-A 142 0A 40 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.968 73.4-158.2-156.2 146.8 -1.0 -5.2 18.6 179 188 A S E -A 141 0A 0 -38,-2.2 -38,-2.5 -2,-0.3 3,-0.1 -0.905 24.0-136.3-130.1 157.7 0.6 -1.7 18.4 180 189 A G S S- 0 0 41 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.765 86.2 -23.6 -80.8 -26.2 3.4 0.3 20.0 181 190 A D S S- 0 0 38 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.899 73.7 -83.8-162.7-171.1 1.3 3.4 20.4 182 191 A M E - c 0 246B 0 63,-2.1 65,-2.4 -2,-0.3 2,-0.5 -0.960 31.9-168.0-117.3 130.9 -1.7 5.3 19.0 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.6 -14,-0.3 2,-0.5 -0.974 6.0-170.5-119.9 122.4 -1.5 7.5 16.0 184 193 A V E -Bc 168 248B 2 63,-2.8 65,-2.7 -2,-0.5 2,-0.5 -0.949 11.3-157.3-120.5 126.9 -4.3 9.8 15.1 185 194 A L E -Bc 167 249B 0 -18,-3.3 -18,-2.8 -2,-0.5 2,-0.4 -0.868 18.9-165.0 -98.7 130.4 -4.8 11.9 12.0 186 195 A L E +Bc 166 250B 1 63,-3.5 65,-2.4 -2,-0.5 2,-0.3 -0.924 11.5 175.1-120.5 142.6 -7.1 14.8 12.5 187 196 A T E -B 165 0B 3 -22,-1.4 -22,-2.1 -2,-0.4 5,-0.1 -0.991 7.8-175.7-142.6 151.5 -8.8 17.1 10.0 188 197 A H > - 0 0 3 3,-0.4 3,-2.1 63,-0.4 65,-0.5 -0.992 33.4-125.5-143.7 139.0 -11.3 20.0 10.1 189 198 A P T 3 S+ 0 0 51 0, 0.0 65,-0.1 0, 0.0 8,-0.1 0.733 108.2 63.7 -59.5 -19.6 -12.9 21.8 7.2 190 199 A S T 3 S+ 0 0 12 1,-0.1 7,-2.7 6,-0.1 2,-0.6 0.530 95.2 66.9 -82.7 -4.9 -11.7 25.1 8.5 191 200 A F B < +F 196 0C 28 -3,-2.1 62,-2.9 5,-0.2 -3,-0.4 -0.927 65.0 140.6-121.7 107.8 -8.0 24.1 8.1 192 201 A T - 0 0 34 3,-2.7 3,-0.1 -2,-0.6 -2,-0.0 -0.761 67.9 -96.1-132.7 177.9 -6.9 23.6 4.5 193 202 A S S S+ 0 0 75 -2,-0.2 3,-0.1 1,-0.2 94,-0.0 0.733 125.7 55.4 -68.2 -21.1 -3.8 24.4 2.4 194 203 A E S S- 0 0 153 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.822 121.8 -25.4 -81.5 -36.3 -5.7 27.5 1.4 195 204 A S - 0 0 39 -3,-0.1 -3,-2.7 3,-0.0 2,-0.6 -0.991 41.5-123.8-172.9 164.4 -6.4 28.9 4.9 196 205 A T B +F 191 0C 86 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.900 28.1 173.3-119.9 95.2 -6.8 28.5 8.6 197 206 A K + 0 0 167 -7,-2.7 -6,-0.1 -2,-0.6 -1,-0.1 0.538 68.8 42.3 -80.8 -8.9 -10.3 30.0 9.4 198 207 A Q S S- 0 0 80 -8,-0.5 3,-0.5 -3,-0.1 -1,-0.2 -0.982 72.5-148.3-144.0 128.6 -10.2 28.8 13.0 199 208 A P S S+ 0 0 95 0, 0.0 -2,-0.0 0, 0.0 -8,-0.0 -0.356 77.8 32.3 -87.1 171.1 -7.3 28.8 15.6 200 209 A K > + 0 0 132 1,-0.1 4,-3.2 -2,-0.1 5,-0.2 0.658 69.9 144.5 57.3 19.4 -6.7 26.3 18.4 201 210 A L H > S+ 0 0 5 -3,-0.5 4,-1.1 1,-0.2 5,-0.1 0.913 78.6 34.8 -54.0 -46.9 -8.2 23.5 16.3 202 211 A L H > S+ 0 0 2 21,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.908 115.1 58.5 -74.0 -41.2 -5.7 20.9 17.7 203 212 A H H > S+ 0 0 62 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.929 101.5 54.9 -51.4 -52.1 -5.7 22.6 21.1 204 213 A Q H X S+ 0 0 77 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.900 111.3 43.7 -49.1 -51.1 -9.5 22.1 21.5 205 214 A V H X S+ 0 0 2 -4,-1.1 4,-2.7 -5,-0.2 5,-0.2 0.948 114.2 49.6 -61.8 -50.9 -9.3 18.4 20.9 206 215 A V H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.943 112.8 48.9 -51.5 -51.0 -6.2 18.0 23.2 207 216 A E H X S+ 0 0 106 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