==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 15-DEC-95 8ICU . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.3 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 . 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 2 1 1 2 2 1 0 2 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 9 A E 0 0 213 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -25.9 67.2 58.1 56.8 2 10 A T + 0 0 125 37,-0.1 4,-0.4 3,-0.0 37,-0.0 0.278 360.0 61.5-153.7 -30.6 67.3 59.3 60.4 3 11 A L S S+ 0 0 57 1,-0.2 4,-0.2 2,-0.1 42,-0.2 0.859 117.2 33.1 -75.8 -34.9 65.2 62.3 60.4 4 12 A N S > S+ 0 0 5 35,-0.2 4,-2.2 1,-0.1 5,-0.4 0.463 93.1 111.4-103.5 8.1 62.3 60.2 59.4 5 13 A G H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.803 71.7 44.5 -40.1 -66.8 63.4 57.2 61.3 6 14 A G H > S+ 0 0 36 -4,-0.4 4,-3.0 2,-0.2 5,-0.4 0.945 113.7 54.6 -52.8 -51.0 61.0 56.6 64.1 7 15 A I H > S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.938 113.6 37.2 -48.0 -65.7 58.1 57.3 61.8 8 16 A T H X S+ 0 0 17 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.878 115.9 61.4 -57.1 -36.0 58.9 54.7 59.2 9 17 A D H X S+ 0 0 100 -4,-2.6 4,-2.3 -5,-0.4 -2,-0.2 0.960 107.6 35.4 -59.1 -53.7 60.0 52.5 62.0 10 18 A M H X S+ 0 0 8 -4,-3.0 4,-3.9 1,-0.2 -1,-0.2 0.883 116.1 64.1 -65.2 -32.1 56.9 52.1 63.9 11 19 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.4 -2,-0.2 0.864 106.2 39.1 -53.6 -47.2 55.4 52.2 60.4 12 20 A T H X S+ 0 0 54 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.884 113.8 56.0 -74.5 -34.7 57.1 49.0 59.4 13 21 A E H X S+ 0 0 102 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.976 111.6 45.7 -54.4 -55.4 56.5 47.6 62.9 14 22 A L H >X S+ 0 0 1 -4,-3.9 4,-1.3 2,-0.2 3,-0.7 0.933 115.1 43.7 -52.6 -58.5 52.8 48.3 62.2 15 23 A A H >X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.3 3,-1.5 0.968 110.5 54.9 -58.0 -53.1 52.6 46.9 58.7 16 24 A N H 3X S+ 0 0 80 -4,-2.8 4,-0.6 1,-0.3 -1,-0.3 0.733 105.9 55.5 -52.5 -24.1 54.6 43.8 59.5 17 25 A F H S+ 0 0 33 -4,-1.1 4,-1.3 -3,-0.7 5,-1.1 0.805 104.6 50.0 -81.5 -29.6 52.2 43.2 62.2 18 26 A E H + 0 0 30 -6,-0.4 4,-3.0 1,-0.2 5,-0.4 -0.300 20.8 163.8 -69.2 58.6 45.2 42.2 56.6 25 33 A I H > S+ 0 0 97 -2,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.832 73.4 54.3 -45.4 -36.9 47.3 42.4 53.5 26 34 A H H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.997 111.3 37.9 -63.9 -68.3 45.7 45.8 52.7 27 35 A K H > S+ 0 0 101 1,-0.3 4,-2.4 2,-0.3 5,-0.3 0.858 119.7 51.7 -49.8 -39.7 46.4 47.7 55.8 28 36 A Y H X S+ 0 0 33 -4,-3.0 4,-0.9 1,-0.3 -1,-0.3 0.927 108.9 48.3 -63.7 -41.4 49.6 46.0 55.9 29 37 A N H X S+ 0 0 77 -4,-2.2 4,-1.1 -5,-0.4 -2,-0.3 0.760 110.0 57.2 -67.3 -26.3 50.1 47.1 52.4 30 38 A A H >X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 3,-1.1 0.987 99.3 53.9 -64.7 -64.9 49.1 50.6 53.6 31 39 A Y H 3X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.741 106.6 57.3 -42.4 -32.8 51.6 51.1 56.2 32 40 A R H 3X S+ 0 0 134 -4,-0.9 4,-2.5 -5,-0.3 -1,-0.3 0.913 103.1 45.7 -78.0 -39.6 54.3 50.4 53.7 33 41 A K H X S+ 0 0 34 -4,-3.1 3,-2.1 2,-0.2 4,-1.7 0.982 112.3 49.7 -68.7 -62.0 57.0 57.9 51.5 38 46 A I H 3< S+ 0 0 0 -4,-2.5 5,-0.2 1,-0.3 -1,-0.2 0.783 108.5 61.1 -47.9 -31.0 57.7 59.6 54.8 39 47 A A H 3< S+ 0 0 40 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.886 106.7 42.5 -61.7 -40.9 61.0 57.8 54.4 40 48 A K H << S+ 0 0 173 -3,-2.1 -2,-0.2 -4,-0.9 -1,-0.2 0.842 88.5 113.2 -73.6 -38.8 61.7 59.8 51.3 41 49 A Y < - 0 0 47 -4,-1.7 4,-0.1 1,-0.2 -37,-0.1 -0.164 64.4-139.9 -49.1 126.6 60.4 63.2 52.7 42 50 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.050 71.8 57.3 -73.8 13.4 63.2 65.7 53.1 43 51 A H S S- 0 0 108 -5,-0.2 2,-0.6 -40,-0.0 -2,-0.0 -0.997 91.7 -88.7-155.2 153.5 62.2 67.2 56.3 44 52 A K - 0 0 118 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.443 45.8-133.7 -62.6 110.3 61.4 66.4 59.8 45 53 A I - 0 0 5 -2,-0.6 -1,-0.1 -42,-0.2 3,-0.1 -0.485 23.6-173.1 -67.4 127.8 57.8 65.6 59.9 46 54 A K - 0 0 133 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.435 53.8 -4.5-106.6 -1.1 56.3 67.5 62.8 47 55 A S S > S- 0 0 34 1,-0.2 4,-2.0 22,-0.0 -1,-0.2 -0.961 76.2 -87.6-179.2 164.9 52.7 66.4 63.1 48 56 A G H >> S+ 0 0 1 -2,-0.3 4,-4.2 1,-0.2 3,-0.6 0.945 119.6 54.4 -46.2 -65.9 50.0 64.3 61.6 49 57 A A H 3> S+ 0 0 67 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.774 106.1 49.7 -33.1 -57.4 48.9 67.0 59.3 50 58 A E H >4 S+ 0 0 43 2,-0.2 3,-0.7 1,-0.2 -1,-0.3 0.930 118.9 39.2 -53.3 -51.8 52.2 67.7 57.7 51 59 A A H X< S+ 0 0 0 -4,-2.0 3,-3.9 -3,-0.6 -2,-0.2 0.958 106.1 67.3 -59.3 -55.5 52.6 64.0 57.1 52 60 A K H 3< S+ 0 0 88 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.671 84.5 72.6 -34.6 -36.1 49.0 63.8 56.2 53 61 A K T << S+ 0 0 164 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.681 82.8 100.5 -59.2 -20.3 49.7 65.9 53.1 54 62 A L S X S- 0 0 34 -3,-3.9 3,-1.9 -4,-0.2 2,-0.4 -0.322 86.0-103.5 -75.0 153.8 51.4 62.9 51.7 55 63 A P T 3 S+ 0 0 101 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.574 111.5 20.6 -72.9 129.0 50.1 60.4 49.2 56 64 A G T 3 S+ 0 0 31 -2,-0.4 2,-0.9 1,-0.2 -22,-0.3 0.270 96.7 115.2 93.4 -8.7 49.3 57.3 51.1 57 65 A V < + 0 0 8 -3,-1.9 -1,-0.2 -5,-0.2 2,-0.1 -0.825 43.9 176.4-101.1 113.2 49.0 59.1 54.3 58 66 A G > - 0 0 27 -2,-0.9 4,-2.2 -3,-0.1 5,-0.2 -0.219 49.5 -91.8 -97.3-170.1 45.6 59.0 55.6 59 67 A T H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.825 121.4 60.2 -68.8 -31.7 43.9 60.1 58.6 60 68 A K H > S+ 0 0 132 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.910 112.6 32.4 -61.4 -51.9 44.6 56.7 60.1 61 69 A I H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.886 114.7 59.5 -72.2 -45.7 48.3 56.8 60.0 62 70 A A H X S+ 0 0 7 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.912 103.2 56.2 -50.3 -42.9 48.5 60.5 60.6 63 71 A E H X S+ 0 0 131 -4,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.899 105.1 48.6 -58.0 -42.4 46.7 59.7 63.7 64 72 A K H X S+ 0 0 34 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.943 104.0 63.0 -66.1 -40.3 49.4 57.4 64.8 65 73 A I H >X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 3,-0.5 0.935 102.2 47.1 -46.6 -63.7 52.1 59.9 64.0 66 74 A D H 3X S+ 0 0 72 -4,-1.7 4,-5.3 1,-0.3 5,-0.3 0.865 110.9 51.4 -46.1 -48.0 50.9 62.5 66.5 67 75 A E H 3X S+ 0 0 78 -4,-1.4 4,-2.5 1,-0.2 6,-0.5 0.897 115.8 44.1 -56.0 -43.4 50.6 59.9 69.3 68 76 A F H << S+ 0 0 50 -4,-2.3 -2,-0.3 -3,-0.5 -1,-0.2 0.898 115.9 43.9 -71.3 -45.2 54.0 58.9 68.5 69 77 A L H < S+ 0 0 59 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.951 118.3 46.7 -69.3 -42.4 55.5 62.3 68.2 70 78 A A H < S+ 0 0 89 -4,-5.3 2,-0.6 -5,-0.3 -2,-0.2 0.994 128.2 21.5 -61.5 -59.5 53.7 63.5 71.3 71 79 A T S < S- 0 0 66 -4,-2.5 2,-4.9 -5,-0.3 -1,-0.2 -0.919 86.4-125.1-105.8 124.5 54.6 60.5 73.4 72 80 A G S S+ 0 0 75 -2,-0.6 2,-0.2 -3,-0.1 -4,-0.2 -0.071 90.5 61.6 -64.3 52.0 57.7 58.6 72.1 73 81 A K - 0 0 110 -2,-4.9 2,-0.3 -6,-0.5 -2,-0.2 -0.851 69.3-138.9-154.7-174.0 55.4 55.5 72.1 74 82 A L > - 0 0 3 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.935 12.6-141.9-157.1 129.6 52.2 54.0 70.6 75 83 A R H >> S+ 0 0 163 -2,-0.3 4,-4.0 2,-0.2 3,-1.2 0.991 102.5 50.3 -62.5 -56.0 49.5 52.0 72.3 76 84 A K H 3> S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.799 115.0 46.8 -47.8 -32.7 48.8 49.5 69.5 77 85 A L H 3> S+ 0 0 18 2,-0.2 4,-1.5 3,-0.2 -1,-0.3 0.784 113.5 46.5 -81.4 -29.4 52.5 49.0 69.4 78 86 A E H S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.820 89.9 57.0 -56.1 -28.2 51.6 36.7 73.6 85 93 A T H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.977 111.1 37.2 -69.0 -57.1 49.7 35.6 70.6 86 94 A S H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.772 112.1 62.8 -67.9 -17.1 51.3 37.7 68.1 87 95 A S H X S+ 0 0 52 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.969 104.1 48.5 -64.6 -46.9 54.6 37.1 69.9 88 96 A S H X S+ 0 0 15 -4,-2.0 4,-2.7 1,-0.3 5,-0.4 0.882 108.6 53.0 -57.0 -46.9 54.3 33.5 69.2 89 97 A I H X S+ 0 0 5 -4,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.900 109.1 48.7 -62.0 -38.1 53.5 34.1 65.6 90 98 A N H < S+ 0 0 65 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.951 117.3 43.0 -64.8 -42.1 56.6 36.2 65.2 91 99 A F H >< S+ 0 0 66 -4,-2.6 3,-2.4 2,-0.2 4,-0.4 0.941 108.6 51.4 -63.4 -61.7 58.7 33.6 66.9 92 100 A L H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 6,-0.2 0.808 98.8 74.0 -47.4 -32.8 57.5 30.3 65.3 93 101 A T T 3< S+ 0 0 38 -4,-1.0 -1,-0.3 -5,-0.4 4,-0.3 0.774 80.1 67.6 -52.9 -36.3 58.1 32.0 62.2 94 102 A R T < S+ 0 0 125 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.717 73.0 107.5 -58.8 -27.5 61.9 31.7 62.4 95 103 A V S X S- 0 0 3 -3,-1.6 3,-1.6 -4,-0.4 2,-0.8 -0.316 88.7-108.3 -53.7 129.0 61.7 28.0 62.0 96 104 A S T 3 S+ 0 0 40 35,-0.5 35,-0.4 1,-0.3 -1,-0.1 -0.517 109.1 20.7 -68.0 111.0 63.0 27.3 58.6 97 105 A G T 3 S+ 0 0 34 -2,-0.8 2,-0.4 1,-0.5 -1,-0.3 -0.069 97.2 109.8 123.9 -30.5 59.8 26.4 56.8 98 106 A I < + 0 0 12 -3,-1.6 -1,-0.5 -6,-0.2 3,-0.0 -0.607 41.7 174.2 -80.6 135.1 57.4 28.0 59.1 99 107 A G > - 0 0 23 -2,-0.4 4,-3.1 -3,-0.1 5,-0.1 -0.757 48.5 -85.6-128.9 175.1 55.6 30.9 57.7 100 108 A P H > S+ 0 0 40 0, 0.0 4,-3.8 0, 0.0 5,-0.2 0.888 123.0 56.8 -50.4 -50.5 52.8 33.0 59.1 101 109 A S H > S+ 0 0 85 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.928 117.2 34.0 -49.9 -51.8 50.1 30.8 57.8 102 110 A A H > S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.850 112.6 63.0 -75.3 -31.0 51.4 27.9 59.6 103 111 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.943 108.7 42.7 -57.0 -43.6 52.6 30.2 62.4 104 112 A R H X S+ 0 0 54 -4,-3.8 4,-2.6 2,-0.2 3,-0.4 0.991 111.9 52.6 -62.8 -61.3 49.0 31.0 63.1 105 113 A K H X S+ 0 0 101 -4,-2.1 4,-2.8 1,-0.3 5,-0.2 0.852 110.5 47.1 -41.4 -52.5 47.7 27.5 62.7 106 114 A F H X>S+ 0 0 0 -4,-3.0 5,-4.7 1,-0.2 4,-1.2 0.892 111.5 53.2 -60.1 -40.4 50.2 26.1 65.2 107 115 A V H <5S+ 0 0 2 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.912 107.6 48.8 -60.4 -47.5 49.4 28.8 67.5 108 116 A D H <5S+ 0 0 131 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.980 109.1 50.5 -58.9 -55.4 45.8 28.1 67.4 109 117 A E H <5S- 0 0 125 -4,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.729 129.9-104.6 -49.9 -23.7 46.3 24.5 67.9 110 118 A G T <5S+ 0 0 32 -4,-1.2 2,-1.4 -5,-0.2 3,-0.3 0.587 74.5 141.8 105.1 20.1 48.4 25.8 70.8 111 119 A I < + 0 0 6 -5,-4.7 -1,-0.2 1,-0.2 -3,-0.1 -0.713 15.7 138.9 -93.1 87.2 52.0 25.3 69.5 112 120 A K + 0 0 76 -2,-1.4 -1,-0.2 -5,-0.1 -20,-0.2 0.876 51.4 54.9 -96.4 -49.8 53.6 28.3 70.7 113 121 A T S > S- 0 0 70 -3,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.291 81.0-117.3 -85.3 168.5 56.9 27.2 72.0 114 122 A L H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.847 118.9 56.5 -71.7 -34.2 59.8 25.4 70.3 115 123 A E H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.919 106.8 49.6 -64.7 -36.6 59.3 22.6 72.8 116 124 A D H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.963 105.4 58.6 -61.5 -45.1 55.7 22.5 71.6 117 125 A L H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 108.5 45.3 -50.5 -38.8 57.2 22.4 68.2 118 126 A R H >< S+ 0 0 127 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.992 105.9 54.3 -70.0 -62.4 59.0 19.2 69.3 119 127 A K H 3< S+ 0 0 154 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.716 115.9 45.8 -45.5 -23.3 56.3 17.2 71.0 120 128 A N T >< + 0 0 33 -4,-1.6 3,-0.8 -5,-0.3 -1,-0.3 -0.189 64.9 136.8-116.4 44.6 54.4 17.7 67.8 121 129 A E G X + 0 0 94 -3,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.755 69.6 64.8 -61.4 -17.6 57.0 16.9 65.3 122 130 A D G 3 S+ 0 0 115 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.894 91.5 59.8 -68.9 -42.2 54.3 15.0 63.5 123 131 A K G < S+ 0 0 84 -3,-0.8 2,-0.4 -6,-0.1 -1,-0.3 0.530 97.1 86.3 -66.1 -3.1 52.2 18.0 62.7 124 132 A L S < S- 0 0 4 -3,-1.0 2,-0.0 -4,-0.3 5,-0.0 -0.817 74.7-131.6-104.9 138.4 55.3 19.3 60.9 125 133 A N > - 0 0 90 -2,-0.4 4,-1.2 1,-0.1 5,-0.1 -0.337 38.8 -96.4 -76.8 164.1 56.4 18.7 57.2 126 134 A H H > S+ 0 0 110 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.856 121.0 58.9 -49.8 -42.5 59.9 17.6 56.4 127 135 A H H > S+ 0 0 44 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.961 112.2 39.2 -48.2 -62.9 61.1 21.1 55.6 128 136 A Q H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.647 108.5 66.0 -62.3 -19.1 60.2 22.3 59.0 129 137 A R H X S+ 0 0 100 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.965 110.2 34.3 -71.6 -45.1 61.4 19.1 60.5 130 138 A I H X S+ 0 0 5 -4,-2.7 4,-2.8 -3,-0.4 -2,-0.2 0.905 114.3 61.2 -69.1 -38.3 64.9 19.8 59.5 131 139 A G H < S+ 0 0 1 -4,-2.7 -35,-0.5 -35,-0.4 -2,-0.2 0.846 109.8 41.0 -54.1 -40.4 64.1 23.4 60.1 132 140 A L H >< S+ 0 0 10 -4,-2.3 3,-1.7 -37,-0.1 4,-0.3 0.924 112.2 57.4 -73.3 -45.1 63.4 22.6 63.7 133 141 A K H 3< S+ 0 0 126 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.903 116.4 31.4 -47.0 -59.0 66.3 20.2 63.9 134 142 A Y T 3X S+ 0 0 14 -4,-2.8 4,-1.1 1,-0.2 -1,-0.3 -0.154 80.6 128.4 -94.2 30.9 69.0 22.8 62.9 135 143 A F H <> S+ 0 0 25 -3,-1.7 4,-1.5 2,-0.2 3,-0.3 0.928 76.8 41.4 -54.6 -48.0 67.2 25.7 64.5 136 144 A G H >> S+ 0 0 40 -3,-0.3 3,-1.7 -4,-0.3 4,-0.8 0.993 117.3 45.5 -59.6 -76.1 70.3 26.7 66.5 137 145 A D H 34 S+ 0 0 35 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.565 109.5 59.9 -44.5 -13.8 72.8 26.2 63.7 138 146 A F H 3< S+ 0 0 41 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.909 100.2 51.4 -85.2 -37.0 70.5 27.9 61.3 139 147 A E H << S+ 0 0 99 -3,-1.7 -2,-0.2 -4,-1.5 -1,-0.2 0.651 94.6 98.4 -67.4 -19.4 70.4 31.1 63.1 140 148 A K S < S- 0 0 109 -4,-0.8 2,-0.0 1,-0.1 -4,-0.0 -0.375 74.5-112.6 -78.6 149.9 74.2 31.4 63.3 141 149 A R - 0 0 138 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.296 27.5-120.4 -72.6 157.0 76.6 33.3 61.1 142 150 A I E -A 180 0A 1 38,-3.3 38,-0.6 40,-0.0 5,-0.1 -0.829 22.5-133.0-107.1 100.1 79.0 31.5 58.7 143 151 A P E >> -A 179 0A 40 0, 0.0 3,-1.3 0, 0.0 4,-1.3 -0.202 10.4-136.6 -48.7 130.9 82.8 32.3 59.4 144 152 A R H 3> S+ 0 0 67 34,-1.4 4,-3.0 1,-0.3 5,-0.2 0.802 107.7 67.1 -56.3 -33.7 84.5 33.1 56.1 145 153 A E H 3> S+ 0 0 119 33,-0.3 4,-0.7 1,-0.3 -1,-0.3 0.869 107.9 38.5 -51.4 -42.5 87.2 31.0 57.5 146 154 A E H <> S+ 0 0 29 -3,-1.3 4,-2.8 2,-0.2 -1,-0.3 0.710 108.6 63.3 -79.2 -29.9 84.7 28.1 57.1 147 155 A M H X S+ 0 0 2 -4,-1.3 4,-3.9 1,-0.2 5,-0.3 0.927 101.2 51.8 -60.7 -45.7 83.3 29.5 53.9 148 156 A L H X S+ 0 0 73 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.875 110.3 48.8 -58.7 -40.9 86.7 28.9 52.4 149 157 A Q H X S+ 0 0 66 -4,-0.7 4,-2.0 -5,-0.2 -2,-0.2 0.978 114.0 44.4 -65.6 -48.2 86.7 25.4 53.6 150 158 A M H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.942 115.5 47.6 -54.4 -57.5 83.2 24.7 52.2 151 159 A Q H X S+ 0 0 59 -4,-3.9 4,-1.9 1,-0.3 -1,-0.2 0.831 106.8 58.9 -53.9 -38.2 83.9 26.4 48.9 152 160 A D H X S+ 0 0 87 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.3 0.950 110.5 43.1 -58.0 -46.2 87.1 24.5 48.7 153 161 A I H X S+ 0 0 37 -4,-2.0 4,-1.9 -3,-0.2 3,-0.4 0.902 108.2 52.8 -67.1 -48.4 85.2 21.4 48.8 154 162 A V H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.909 107.7 55.5 -55.3 -42.2 82.4 22.0 46.6 155 163 A L H X S+ 0 0 53 -4,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.795 104.6 54.5 -57.4 -37.8 84.8 23.0 44.0 156 164 A N H X S+ 0 0 77 -4,-1.1 4,-2.6 -3,-0.4 -1,-0.2 0.929 110.7 39.1 -66.6 -52.3 86.5 19.8 44.2 157 165 A E H X S+ 0 0 20 -4,-1.9 4,-2.7 2,-0.2 3,-0.4 0.982 108.7 62.3 -62.3 -54.6 83.8 17.4 43.7 158 166 A V H X S+ 0 0 5 -4,-2.1 4,-1.8 1,-0.3 7,-0.3 0.765 112.7 39.8 -33.9 -47.5 82.1 19.5 41.0 159 167 A K H < S+ 0 0 136 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.895 109.0 61.1 -71.8 -45.2 85.2 19.1 39.0 160 168 A K H < S+ 0 0 130 -4,-2.6 -2,-0.2 -3,-0.4 3,-0.2 0.882 108.0 45.3 -52.3 -40.9 85.7 15.5 40.0 161 169 A V H < S- 0 0 49 -4,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.996 136.4 -5.6 -71.2 -59.2 82.5 14.6 38.5 162 170 A D >< - 0 0 48 -4,-1.8 3,-1.2 -5,-0.2 -1,-0.3 -0.996 54.5-150.4-137.3 132.1 82.8 16.4 35.3 163 171 A S T 3 S+ 0 0 84 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.710 95.4 72.1 -67.7 -23.8 85.7 18.6 34.5 164 172 A E T 3 S+ 0 0 112 -5,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.532 73.2 104.4 -67.4 -15.1 83.2 20.5 32.4 165 173 A Y < - 0 0 15 -3,-1.2 2,-0.4 -7,-0.3 24,-0.2 -0.461 55.8-154.4 -74.1 144.6 81.2 22.1 35.3 166 174 A I E -B 188 0B 51 22,-1.6 22,-1.6 -2,-0.2 2,-0.4 -0.962 15.6-170.5-115.9 133.3 81.8 25.7 36.1 167 175 A A E -B 187 0B 26 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.952 14.1-179.4-133.0 151.0 81.1 26.9 39.7 168 176 A T E -B 186 0B 27 18,-1.5 18,-2.6 -2,-0.4 2,-1.1 -0.919 22.3-145.7-147.6 123.7 80.8 30.1 41.6 169 177 A V E -B 185 0B 5 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.757 36.4-175.7 -86.9 107.9 80.1 30.8 45.1 170 178 A C + 0 0 3 14,-1.9 14,-0.4 -2,-1.1 3,-0.4 0.053 33.4 58.7 -86.8-165.3 78.1 34.0 44.9 171 179 A G S >> S- 0 0 12 93,-0.3 3,-1.3 90,-0.3 4,-1.0 -0.161 108.9 -29.4 75.9-171.5 76.7 36.4 47.5 172 180 A S T 34>S+ 0 0 28 1,-0.3 5,-0.7 2,-0.2 -1,-0.2 0.788 132.2 63.3 -47.9 -40.6 78.6 38.4 50.3 173 181 A F T >45S+ 0 0 10 -3,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.902 105.8 46.1 -53.1 -43.7 81.3 35.7 50.6 174 182 A R T <45S+ 0 0 47 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.747 109.7 55.8 -68.0 -31.0 82.1 36.5 47.0 175 183 A R T 3<5S- 0 0 69 -4,-1.0 -1,-0.3 -3,-0.1 2,-0.3 0.110 128.0 -94.2 -87.6 12.4 82.1 40.2 47.8 176 184 A G T < 5 + 0 0 33 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 -0.286 63.4 171.4 104.5 -50.1 84.6 39.9 50.6 177 185 A A < - 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