==== 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 19-APR-96 7ICG . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-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) . 17853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.6 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 . 28 8.6 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 0.6 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 . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.2 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 1 2 1 1 3 2 0 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 . 0 1 0 2 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 9 A E 0 0 219 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -13.4 67.2 58.2 57.1 2 10 A T + 0 0 123 37,-0.1 4,-0.1 3,-0.0 37,-0.0 0.165 360.0 74.4-175.1 5.4 67.1 59.3 60.8 3 11 A L S S+ 0 0 64 36,-0.1 3,-0.1 38,-0.1 4,-0.1 0.852 112.8 23.9 -94.3 -46.7 64.9 62.3 60.7 4 12 A N S > S+ 0 0 7 37,-0.2 4,-2.2 35,-0.2 5,-0.2 0.064 93.0 123.5-107.2 24.4 61.7 60.4 60.3 5 13 A G H > + 0 0 21 2,-0.2 4,-3.7 1,-0.2 -1,-0.1 0.899 67.5 45.8 -47.5 -70.9 63.0 57.1 61.8 6 14 A G H > S+ 0 0 38 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.857 115.8 54.5 -47.3 -38.1 60.7 56.1 64.7 7 15 A I H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.955 110.1 39.9 -65.8 -52.8 57.9 56.9 62.4 8 16 A T H X S+ 0 0 20 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.886 117.9 55.1 -64.1 -32.0 59.0 54.7 59.6 9 17 A D H >X S+ 0 0 100 -4,-3.7 4,-2.0 -5,-0.2 3,-0.7 0.959 106.6 43.5 -63.6 -55.2 59.8 52.3 62.3 10 18 A M H 3X S+ 0 0 5 -4,-3.8 4,-3.1 1,-0.3 -1,-0.2 0.916 111.3 58.3 -56.5 -42.9 56.5 52.1 64.1 11 19 A L H 3X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.3 0.795 105.1 51.0 -53.3 -36.6 54.8 51.9 60.7 12 20 A T H S+ 0 0 34 -4,-3.2 4,-2.9 -5,-0.3 5,-1.3 0.924 105.7 59.2 -58.7 -42.3 51.9 42.8 62.4 18 26 A E H X5S+ 0 0 8 -4,-2.2 4,-0.8 1,-0.2 7,-0.2 0.938 112.1 37.1 -46.3 -64.2 49.0 43.2 59.9 19 27 A K H <5S+ 0 0 85 -4,-1.6 -1,-0.2 5,-0.3 -2,-0.2 0.828 122.6 42.6 -57.2 -48.1 50.1 40.7 57.5 20 28 A N H <5S+ 0 0 26 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.834 128.8 18.8 -73.8 -42.2 51.5 38.2 60.1 21 29 A V H <5S+ 0 0 32 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.810 131.5 34.3 -98.9 -47.4 48.9 38.1 62.8 22 30 A S S < + 0 0 25 1,-0.2 4,-5.3 -6,-0.2 5,-0.3 0.089 8.3 158.0 -16.3 47.5 45.5 42.3 56.7 25 33 A I H > S+ 0 0 94 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.817 78.8 49.6 -52.5 -31.9 47.4 42.3 53.5 26 34 A H H > S+ 0 0 152 2,-0.2 4,-1.5 3,-0.2 -1,-0.2 0.988 116.9 37.4 -71.4 -52.1 45.7 45.5 52.6 27 35 A K H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.887 117.9 51.4 -59.1 -48.2 46.4 47.3 55.8 28 36 A Y H X S+ 0 0 27 -4,-5.3 4,-1.3 1,-0.3 -1,-0.2 0.970 110.0 47.3 -55.9 -55.2 49.7 45.8 56.0 29 37 A N H X S+ 0 0 75 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.3 0.773 107.9 62.3 -55.2 -30.1 50.5 46.9 52.5 30 38 A A H >X S+ 0 0 31 -4,-1.5 4,-2.0 1,-0.2 3,-0.7 0.998 100.5 47.9 -60.1 -66.4 49.1 50.3 53.6 31 39 A Y H 3X S+ 0 0 14 -4,-2.1 4,-3.0 1,-0.3 -1,-0.2 0.704 109.2 62.3 -45.2 -29.0 51.8 50.9 56.4 32 40 A R H 3X S+ 0 0 141 -4,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.931 102.1 39.3 -70.0 -52.6 54.3 50.0 53.9 33 41 A K H - 0 0 40 1,-0.2 4,-1.2 -3,-0.1 -1,-0.2 -0.991 67.8-109.1-160.4 167.3 52.7 66.5 63.2 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.5 1,-0.2 3,-1.5 0.980 115.1 57.0 -64.6 -57.1 50.2 64.1 61.7 49 57 A A H 3> S+ 0 0 66 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.805 106.6 52.9 -43.0 -35.6 48.4 66.7 59.6 50 58 A E H 34 S+ 0 0 42 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.844 112.4 43.5 -69.3 -38.6 51.7 67.5 58.1 51 59 A A H X< S+ 0 0 0 -3,-1.5 3,-4.6 -4,-1.2 -2,-0.2 0.914 101.1 67.6 -69.7 -47.9 52.2 63.9 57.2 52 60 A K H 3< S+ 0 0 88 -4,-3.5 5,-0.2 1,-0.3 -1,-0.2 0.770 85.4 73.5 -39.2 -41.7 48.8 63.5 56.0 53 61 A K T 3< S+ 0 0 168 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.666 84.3 88.2 -50.4 -25.0 49.8 65.7 53.3 54 62 A L S X S- 0 0 38 -3,-4.6 3,-0.9 1,-0.1 2,-0.2 -0.500 88.7-106.1 -83.7 155.7 51.7 62.9 51.9 55 63 A P T 3 S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.463 110.0 31.1 -74.0 140.6 50.3 60.3 49.5 56 64 A G T 3 S+ 0 0 29 1,-0.2 2,-1.0 -2,-0.2 -22,-0.2 0.240 100.9 116.3 91.3 -17.2 49.7 56.9 51.1 57 65 A V < + 0 0 8 -3,-0.9 -1,-0.2 -5,-0.2 2,-0.1 -0.768 39.7 160.4 -95.7 99.0 49.1 59.0 54.1 58 66 A G > - 0 0 27 -2,-1.0 4,-2.1 -3,-0.1 5,-0.1 -0.241 52.0 -81.6-101.9-169.2 45.7 58.9 55.4 59 67 A T H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.839 118.0 50.4 -62.7 -44.2 43.8 59.7 58.5 60 68 A K H > S+ 0 0 126 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.877 113.5 45.4 -68.0 -38.8 44.5 56.6 60.6 61 69 A I H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.915 110.1 54.7 -68.1 -44.4 48.1 56.7 60.0 62 70 A A H X S+ 0 0 7 -4,-2.1 4,-3.0 1,-0.3 -2,-0.2 0.938 106.1 54.5 -49.9 -50.3 48.1 60.4 60.7 63 71 A E H X S+ 0 0 118 -4,-2.4 4,-2.1 1,-0.3 -1,-0.3 0.838 108.9 46.2 -50.1 -45.6 46.4 59.6 64.0 64 72 A K H X S+ 0 0 38 -4,-1.4 4,-2.5 -3,-0.3 5,-0.3 0.896 109.2 54.3 -70.5 -42.2 49.0 57.2 65.0 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-3.4 2,-0.2 5,-0.3 0.927 108.2 52.1 -61.1 -40.5 51.8 59.5 64.1 66 74 A D H X S+ 0 0 68 -4,-3.0 4,-5.3 1,-0.2 5,-0.2 0.989 111.1 43.7 -56.5 -63.7 50.3 62.1 66.2 67 75 A E H X S+ 0 0 70 -4,-2.1 4,-2.8 1,-0.3 6,-0.5 0.784 116.2 49.7 -48.6 -36.2 50.0 60.0 69.3 68 76 A F H < S+ 0 0 53 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.929 117.3 38.7 -72.4 -45.8 53.5 58.7 68.7 69 77 A L H < S+ 0 0 57 -4,-3.4 -2,-0.2 -5,-0.3 -3,-0.2 0.981 116.7 53.3 -65.9 -49.4 54.9 62.2 68.3 70 78 A A H < S+ 0 0 84 -4,-5.3 2,-0.3 -5,-0.3 -2,-0.2 0.897 125.4 16.1 -47.1 -50.4 52.6 63.3 71.1 71 79 A T S < S- 0 0 70 -4,-2.8 2,-1.0 2,-0.4 -1,-0.1 -0.952 87.8-103.6-129.9 147.8 53.9 60.6 73.5 72 80 A G S S+ 0 0 75 -2,-0.3 2,-0.3 -3,-0.0 -4,-0.1 0.306 99.2 22.7 -52.1 13.8 57.0 58.3 73.4 73 81 A K S S- 0 0 85 -2,-1.0 -2,-0.4 -6,-0.5 2,-0.3 -0.920 70.6-113.8-161.2-171.6 54.8 55.5 72.3 74 82 A L > - 0 0 2 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.993 17.9-140.8-138.2 134.9 51.7 54.1 70.7 75 83 A R H > S+ 0 0 172 -2,-0.3 4,-3.4 2,-0.2 3,-0.5 0.981 101.8 48.6 -63.0 -57.5 48.9 52.0 72.5 76 84 A K H > S+ 0 0 77 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.835 113.4 49.0 -48.9 -40.2 48.2 49.5 69.8 77 85 A L H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.844 113.4 46.8 -72.8 -33.0 51.9 48.9 69.5 78 86 A E H >X S+ 0 0 73 -4,-1.4 3,-0.6 -3,-0.5 4,-0.6 0.981 111.9 48.3 -72.4 -48.5 52.2 48.5 73.1 79 87 A K H >X S+ 0 0 134 -4,-3.4 4,-1.9 1,-0.2 3,-1.1 0.895 112.8 50.3 -51.3 -49.6 49.1 46.1 73.3 80 88 A I H 3< S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.763 103.1 61.3 -59.6 -34.0 50.6 44.0 70.3 81 89 A R H << S+ 0 0 126 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.592 112.4 36.7 -72.1 -15.3 54.1 43.7 72.1 82 90 A Q H << S+ 0 0 140 -3,-1.1 -2,-0.2 -4,-0.6 5,-0.1 0.870 86.5 111.4 -97.2 -56.6 52.6 41.9 75.1 83 91 A D X - 0 0 69 -4,-1.9 4,-2.5 1,-0.1 5,-0.3 0.153 58.0-150.2 -24.6 109.8 49.9 39.8 73.4 84 92 A D H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.935 95.0 52.2 -57.1 -48.3 51.0 36.2 73.7 85 93 A T H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.861 110.1 50.2 -54.9 -35.7 49.3 35.1 70.6 86 94 A S H > S+ 0 0 1 -3,-0.2 4,-1.4 1,-0.2 3,-0.3 0.977 112.1 46.4 -67.1 -48.9 51.0 37.9 68.7 87 95 A S H X S+ 0 0 48 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.808 106.1 63.9 -59.1 -33.5 54.4 36.9 70.1 88 96 A S H X S+ 0 0 16 -4,-2.8 4,-2.9 -5,-0.3 3,-0.4 0.926 103.4 42.9 -52.2 -54.5 53.6 33.3 69.3 89 97 A I H X S+ 0 0 5 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.787 109.1 58.0 -63.7 -39.4 53.4 33.8 65.6 90 98 A N H < S+ 0 0 67 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.823 115.3 38.4 -64.1 -29.1 56.5 35.9 65.5 91 99 A F H >< S+ 0 0 62 -4,-1.5 3,-1.9 -3,-0.4 4,-0.3 0.862 112.2 51.1 -85.9 -52.7 58.4 33.1 67.1 92 100 A L H >< S+ 0 0 1 -4,-2.9 3,-2.6 1,-0.3 6,-0.2 0.927 103.0 63.6 -54.8 -42.4 57.0 30.0 65.5 93 101 A T T 3< S+ 0 0 40 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.734 84.1 78.0 -53.2 -25.5 57.6 31.6 62.3 94 102 A R T < S+ 0 0 117 -3,-1.9 2,-0.3 -5,-0.1 -1,-0.3 0.731 75.4 92.6 -61.1 -21.9 61.3 31.5 63.2 95 103 A V S X S- 0 0 3 -3,-2.6 3,-1.8 -4,-0.3 2,-0.3 -0.609 88.9-113.2 -78.2 133.4 61.4 27.9 62.2 96 104 A S T 3 S+ 0 0 41 35,-0.3 35,-0.3 -2,-0.3 3,-0.1 -0.571 106.9 25.9 -67.5 127.8 62.4 27.1 58.7 97 105 A G T 3 S+ 0 0 31 -2,-0.3 2,-0.7 1,-0.2 -1,-0.3 -0.135 99.7 99.7 105.1 -27.6 59.3 25.7 57.0 98 106 A I < + 0 0 8 -3,-1.8 -1,-0.2 -6,-0.2 26,-0.0 -0.821 48.1 173.1 -94.6 122.8 56.9 27.5 59.4 99 107 A G > - 0 0 30 -2,-0.7 4,-2.3 -3,-0.1 -4,-0.1 -0.386 50.1 -86.1-107.1-170.1 55.4 30.6 57.8 100 108 A P H > S+ 0 0 44 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.854 124.1 58.7 -65.7 -44.4 52.6 32.7 59.3 101 109 A S H > S+ 0 0 91 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.956 114.6 35.7 -50.1 -60.9 49.9 30.7 57.8 102 110 A A H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.873 109.1 64.7 -62.7 -42.4 51.1 27.8 59.6 103 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.891 104.3 49.3 -50.4 -41.9 52.1 29.8 62.6 104 112 A R H X S+ 0 0 49 -4,-3.2 4,-2.3 -3,-0.2 3,-0.4 0.980 108.1 50.5 -59.8 -60.0 48.4 30.6 63.1 105 113 A K H < S+ 0 0 97 -4,-1.5 3,-0.4 1,-0.3 4,-0.3 0.911 110.5 52.2 -43.4 -54.0 47.1 27.0 62.9 106 114 A F H ><>S+ 0 0 0 -4,-2.8 5,-3.5 1,-0.3 3,-1.6 0.907 110.0 46.7 -52.3 -46.9 49.7 25.9 65.4 107 115 A V H 3<5S+ 0 0 4 -4,-1.8 3,-0.3 -3,-0.4 -1,-0.3 0.824 106.3 56.6 -67.3 -30.9 48.8 28.4 67.9 108 116 A D T 3<5S+ 0 0 120 -4,-2.3 -1,-0.3 -3,-0.4 -2,-0.2 0.477 107.1 50.7 -80.3 2.8 45.2 27.8 67.6 109 117 A E T < 5S- 0 0 114 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.371 126.7-107.5-110.1 -8.1 46.0 24.4 68.4 110 118 A G T 5S+ 0 0 34 -4,-0.4 2,-0.7 -3,-0.3 -3,-0.3 0.621 73.8 139.5 92.2 13.4 47.9 25.7 71.3 111 119 A I < + 0 0 5 -5,-3.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.850 13.3 142.3 -91.5 117.7 51.5 25.0 70.0 112 120 A K + 0 0 66 -2,-0.7 -1,-0.2 -3,-0.1 2,-0.2 0.579 49.7 47.3-128.1 -30.7 53.4 28.0 70.9 113 121 A T S > S- 0 0 59 -3,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.485 83.4-101.2-111.8-177.7 56.7 27.0 71.9 114 122 A L H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 124.0 50.7 -65.4 -47.3 59.7 24.9 70.9 115 123 A E H > S+ 0 0 130 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.941 107.0 54.2 -57.3 -47.2 58.7 22.3 73.3 116 124 A D H > S+ 0 0 42 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.929 108.5 52.2 -50.4 -47.4 55.2 22.4 71.8 117 125 A L H < S+ 0 0 1 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.921 108.0 46.8 -58.3 -48.3 56.7 21.8 68.6 118 126 A R H >< S+ 0 0 123 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.943 110.4 53.9 -58.1 -49.2 58.7 18.7 69.6 119 127 A K H 3< S+ 0 0 152 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.809 114.7 42.1 -53.3 -36.6 55.8 17.2 71.3 120 128 A N T >< + 0 0 47 -4,-1.9 3,-2.9 -5,-0.3 4,-0.5 0.022 68.5 135.7-107.4 33.4 53.9 17.6 68.2 121 129 A E G X + 0 0 91 -3,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.712 64.9 72.0 -49.5 -24.9 56.4 16.6 65.7 122 130 A D G 3 S+ 0 0 114 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.821 93.4 55.1 -62.2 -30.3 53.8 14.6 64.1 123 131 A K G < S+ 0 0 93 -3,-2.9 -1,-0.2 -6,-0.2 2,-0.2 0.658 93.5 84.4 -77.4 -16.1 52.1 17.8 62.8 124 132 A L S < S- 0 0 4 -3,-0.9 2,-0.2 -4,-0.5 -27,-0.0 -0.608 72.3-137.3 -88.6 152.6 55.2 19.1 61.2 125 133 A N > - 0 0 82 -2,-0.2 4,-2.0 -28,-0.1 5,-0.2 -0.466 40.2 -81.3 -97.5 172.7 56.2 18.1 57.7 126 134 A H H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.871 127.9 42.7 -40.0 -63.3 59.7 17.2 56.5 127 135 A H H >> S+ 0 0 38 1,-0.3 4,-3.7 2,-0.2 3,-0.7 0.966 115.6 50.4 -50.9 -59.7 61.1 20.7 56.0 128 136 A Q H 3> S+ 0 0 14 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.776 109.5 53.7 -50.2 -29.7 59.5 21.9 59.2 129 137 A R H 3X S+ 0 0 97 -4,-2.0 4,-2.1 -3,-0.4 -1,-0.3 0.919 111.2 41.4 -74.5 -41.6 61.0 19.0 60.9 130 138 A I H < S+ 0 0 11 -4,-1.3 3,-0.8 -5,-0.3 -1,-0.3 0.834 109.3 52.8 -80.4 -37.3 63.1 22.3 64.1 133 141 A K H 3< S+ 0 0 134 -4,-2.1 3,-0.2 -3,-0.2 -2,-0.2 0.873 118.6 38.9 -65.4 -38.1 66.0 19.9 64.6 134 142 A Y T 3X S+ 0 0 17 -4,-3.0 4,-3.6 1,-0.2 -1,-0.2 0.162 76.9 123.3-101.0 18.4 68.3 22.6 63.3 135 143 A F H <> S+ 0 0 23 -3,-0.8 4,-0.8 2,-0.2 -1,-0.2 0.864 80.5 40.1 -42.7 -56.1 66.8 25.7 65.0 136 144 A G H >> S+ 0 0 39 -4,-0.2 3,-2.8 -3,-0.2 4,-1.0 0.996 119.3 44.1 -58.7 -69.9 69.9 26.7 66.9 137 145 A D H 34 S+ 0 0 32 1,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.780 109.2 63.8 -41.6 -38.4 72.4 25.9 64.0 138 146 A F H 3< S+ 0 0 36 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.2 0.689 103.9 41.3 -62.0 -28.9 70.0 27.6 61.7 139 147 A E H << S+ 0 0 100 -3,-2.8 2,-0.3 -4,-0.8 -1,-0.2 0.571 89.6 105.8 -94.9 -17.2 70.2 30.9 63.2 140 148 A K S < S- 0 0 101 -4,-1.0 -4,-0.0 -3,-0.4 0, 0.0 -0.504 74.0-120.7 -68.1 123.7 74.0 30.9 63.7 141 149 A R - 0 0 151 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.123 23.0-117.9 -59.9 162.2 75.8 33.1 61.2 142 150 A I E -A 180 0A 0 38,-4.3 38,-3.6 40,-0.1 2,-0.2 -0.907 22.9-142.0-108.7 111.1 78.4 31.5 59.0 143 151 A P E >> -A 179 0A 37 0, 0.0 3,-2.8 0, 0.0 4,-1.9 -0.487 18.9-121.9 -72.7 138.1 81.9 32.8 59.4 144 152 A R H 3> S+ 0 0 61 34,-2.7 4,-2.5 1,-0.3 5,-0.3 0.773 108.6 71.3 -46.0 -31.9 84.0 33.2 56.2 145 153 A E H 3> S+ 0 0 119 33,-0.4 4,-0.7 1,-0.2 -1,-0.3 0.844 107.7 33.7 -56.5 -34.7 86.5 30.9 57.7 146 154 A E H <> S+ 0 0 26 -3,-2.8 4,-3.6 2,-0.2 5,-0.3 0.814 111.2 65.9 -84.2 -36.3 84.1 27.9 57.2 147 155 A M H X S+ 0 0 2 -4,-1.9 4,-3.7 1,-0.2 5,-0.2 0.907 102.7 45.5 -44.6 -54.5 82.7 29.5 54.1 148 156 A L H X S+ 0 0 75 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.841 112.9 51.2 -61.3 -41.4 86.1 29.0 52.4 149 157 A Q H X S+ 0 0 64 -4,-0.7 4,-2.1 -5,-0.3 -2,-0.2 0.946 114.6 43.3 -64.3 -49.0 86.4 25.4 53.7 150 158 A M H X S+ 0 0 2 -4,-3.6 4,-2.5 1,-0.2 5,-0.2 0.948 113.1 50.1 -56.9 -57.1 82.9 24.6 52.4 151 159 A Q H X S+ 0 0 53 -4,-3.7 4,-2.3 -5,-0.3 5,-0.2 0.880 107.2 58.3 -49.7 -41.1 83.3 26.3 49.2 152 160 A D H X S+ 0 0 86 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.975 109.9 41.4 -55.8 -55.2 86.5 24.3 48.9 153 161 A I H X S+ 0 0 37 -4,-2.1 4,-2.4 1,-0.2 3,-0.4 0.961 111.2 53.0 -57.1 -57.8 84.8 21.1 49.1 154 162 A V H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.872 111.2 48.4 -45.1 -49.9 81.8 21.8 47.0 155 163 A L H X S+ 0 0 56 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.3 0.857 108.9 52.2 -61.8 -41.8 84.0 22.9 44.2 156 164 A N H X S+ 0 0 80 -4,-1.9 4,-1.8 -3,-0.4 -2,-0.2 0.902 112.8 44.1 -63.0 -44.5 86.3 19.9 44.4 157 165 A E H X S+ 0 0 27 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.892 109.9 54.8 -69.5 -41.3 83.5 17.4 44.2 158 166 A V H X S+ 0 0 9 -4,-2.3 4,-1.5 -5,-0.3 7,-0.2 0.873 108.2 51.1 -59.6 -34.6 81.8 19.3 41.5 159 167 A K H < S+ 0 0 133 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.900 104.8 58.0 -67.0 -42.3 84.9 19.1 39.5 160 168 A K H < S+ 0 0 134 -4,-1.8 -2,-0.2 1,-0.2 3,-0.2 0.909 105.9 46.3 -51.8 -51.6 85.1 15.4 40.1 161 169 A V H < S+ 0 0 49 -4,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.840 132.5 0.5 -62.2 -40.3 81.9 14.5 38.6 162 170 A D >< - 0 0 49 -4,-1.5 3,-1.0 -5,-0.2 -1,-0.2 -0.926 49.0-153.7-158.8 131.9 82.5 16.7 35.6 163 171 A S T 3 S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.687 98.8 62.0 -74.4 -20.9 85.2 18.9 34.4 164 172 A E T 3 S+ 0 0 114 -3,-0.1 -1,-0.2 -5,-0.1 2,-0.1 0.363 79.0 114.0 -83.4 -2.7 82.8 21.0 32.4 165 173 A Y < - 0 0 19 -3,-1.0 2,-0.5 -7,-0.2 24,-0.2 -0.447 50.3-160.0 -71.5 143.4 80.9 22.0 35.5 166 174 A I E +B 188 0B 51 22,-2.6 22,-1.3 -2,-0.1 2,-0.4 -0.908 14.2 179.2-129.3 104.4 81.0 25.7 36.4 167 175 A A E -B 187 0B 22 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.843 4.4-176.9-111.0 149.5 80.1 26.5 40.0 168 176 A T E -B 186 0B 32 18,-1.8 18,-2.8 -2,-0.4 2,-1.0 -0.999 21.6-143.0-145.4 136.7 80.0 29.7 41.8 169 177 A V E +B 185 0B 9 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.802 30.3 177.9-104.1 101.0 79.4 30.9 45.3 170 178 A C + 0 0 2 14,-1.3 14,-0.4 -2,-1.0 3,-0.4 0.045 32.2 74.8 -81.6-163.7 77.5 34.1 45.2 171 179 A G S >> S- 0 0 21 93,-0.2 3,-0.9 1,-0.2 4,-0.8 -0.380 106.7 -43.3 89.8-169.2 76.2 36.1 48.0 172 180 A S H 3> S+ 0 0 27 1,-0.2 4,-0.7 2,-0.2 5,-0.4 0.674 132.1 70.2 -68.4 -19.5 78.1 38.4 50.4 173 181 A F H 34 S+ 0 0 13 -3,-0.4 -1,-0.2 1,-0.2 3,-0.2 0.860 104.1 43.4 -61.4 -34.6 80.7 35.6 50.6 174 182 A R H <4 S+ 0 0 48 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.713 110.4 55.5 -77.3 -33.9 81.4 36.7 47.1 175 183 A R H < S- 0 0 60 -4,-0.8 -2,-0.2 90,-0.1 -1,-0.2 0.445 125.5 -96.3 -84.6 -3.4 81.2 40.4 48.0 176 184 A G < + 0 0 34 -4,-0.7 -3,-0.1 1,-0.2 -4,-0.1 -0.303 66.6 163.1 118.0 -43.8 83.9 40.0 50.7 177 185 A A - 0 0 35 -5,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.448 40.2-136.1 -11.7 131.0 81.6 39.6 53.7 178 186 A E S S+ 0 0 139 1,-0.1 -34,-2.7 -35,-0.1 -33,-0.4 0.540 84.9 10.1 -74.8 -12.7 83.1 38.2 56.9 179 187 A S E -A 143 0A 36 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.983 68.3-153.9-159.7 157.6 80.2 35.9 57.6 180 188 A S E -A 142 0A 3 -38,-3.6 -38,-4.3 -2,-0.3 3,-0.1 -0.846 20.6-133.7-134.8 173.6 77.2 34.7 55.8 181 189 A G S S- 0 0 33 1,-0.3 65,-0.4 -2,-0.3 2,-0.2 0.866 84.9 -13.6 -91.3 -38.5 73.8 33.4 56.6 182 190 A D S S- 0 0 86 63,-0.1 2,-0.5 -40,-0.1 -1,-0.3 -0.892 74.9 -93.5-151.9 171.6 73.7 30.4 54.2 183 191 A M E - c 0 247B 1 63,-2.0 65,-2.5 -2,-0.2 2,-0.6 -0.879 33.0-166.8-104.8 120.4 75.6 29.0 51.2 184 192 A D E - c 0 248B 24 -2,-0.5 -14,-1.3 -14,-0.4 2,-0.5 -0.911 3.2-171.4-110.6 114.6 74.5 29.8 47.6 185 193 A V E -Bc 169 249B 2 63,-2.5 65,-2.1 -2,-0.6 2,-0.5 -0.899 9.3-157.9-113.2 126.6 75.8 28.0 44.7 186 194 A L E -Bc 168 250B 3 -18,-2.8 -18,-1.8 -2,-0.5 2,-0.4 -0.857 21.6-168.0 -98.4 126.8 75.2 28.9 41.0 187 195 A L E +Bc 167 251B 1 63,-3.0 65,-1.7 -2,-0.5 2,-0.3 -0.970 16.5 153.8-130.5 142.7 75.6 26.1 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.3 -22,-2.6 -2,-0.4 5,-0.1 -0.969 18.9-159.1-155.7 163.6 75.9 25.5 35.0 189 197 A H E > - c 0 253B 13 63,-0.5 3,-1.6 -2,-0.3 65,-0.8 -0.979 31.3-119.4-146.8 144.9 77.2 23.2 32.5 190 198 A P T 3 S+ 0 0 65 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.799 112.0 63.9 -52.0 -37.9 78.0 23.8 28.8 191 199 A S T 3 S+ 0 0 64 1,-0.1 2,-0.4 -27,-0.1 11,-0.1 0.209 95.8 74.6 -74.4 12.7 75.5 21.2 27.9 192 200 A F < + 0 0 16 -3,-1.6 62,-5.2 60,-0.1 63,-0.4 -0.915 57.9 135.9-140.6 117.7 72.7 23.3 29.3 193 201 A T - 0 0 35 -2,-0.4 5,-0.1 60,-0.3 -5,-0.0 -0.981 63.4 -71.8-154.5 166.8 71.2 26.3 27.9 194 202 A S S S+ 0 0 67 -2,-0.3 -1,-0.0 1,-0.2 62,-0.0 0.560 129.4 22.0 -18.7 -56.5 68.1 28.3 27.1 195 203 A E S S+ 0 0 166 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.814 94.6 107.6 -87.7 -46.6 66.9 26.0 24.2 196 204 A S S S- 0 0 36 1,-0.1 2,-0.5 3,-0.0 -3,-0.2 -0.074 78.0-124.3 -39.3 104.8 68.7 22.8 25.3 197 205 A T - 0 0 130 -5,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.488 50.8 -65.7 -67.9 118.5 65.9 20.7 26.5 198 206 A K - 0 0 90 -2,-0.5 -5,-0.1 1,-0.1 -3,-0.0 0.688 33.8-170.1 26.6 176.8 66.7 19.7 30.0 199 207 A Q + 0 0 75 25,-0.2 4,-0.4 -7,-0.1 3,-0.3 -0.186 10.3 175.2 163.3 82.6 69.2 17.6 31.7 200 208 A P S >> S+ 0 0 51 0, 0.0 3,-2.1 0, 0.0 4,-1.8 0.860 76.0 69.7 -69.7 -37.7 68.1 17.1 35.3 201 209 A K H 3> S+ 0 0 106 1,-0.3 4,-4.7 2,-0.2 5,-0.4 0.839 84.0 74.4 -45.8 -40.7 70.9 14.7 36.0 202 210 A L H 3> S+ 0 0 1 -3,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.832 107.9 29.6 -43.0 -47.6 73.1 17.7 35.7 203 211 A L H <> S+ 0 0 0 -3,-2.1 4,-1.8 -4,-0.4 -1,-0.2 0.905 121.4 51.1 -80.3 -44.7 71.8 18.9 39.1 204 212 A H H X S+ 0 0 37 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.833 100.8 62.8 -60.9 -40.6 71.1 15.5 40.7 205 213 A Q H X S+ 0 0 72 -4,-4.7 4,-1.6 1,-0.2 -1,-0.2 0.917 108.1 41.9 -55.2 -46.5 74.5 14.1 39.9 206 214 A V H X S+ 0 0 2 -4,-0.6 4,-2.8 -5,-0.4 5,-0.2 0.944 108.8 57.8 -67.6 -45.8 76.3 16.6 42.0 207 215 A V H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.3 -2,-0.2 0.897 106.1 52.9 -49.1 -41.7 73.8 16.5 44.8 208 216 A E H X S+ 0 0 105 -4,-2.0 4,-2.7 2,-0.2 3,-0.5 0.928 106.1 49.3 -56.6 -57.3 74.5 12.9 45.1 209 217 A Q H X S+ 0 0 31 -4,-1.6 4,-2.2 1,-0.3 6,-0.3 0.932 106.8 59.1 -53.8 -44.6 78.3 13.3 45.3 210 218 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.3 6,-1.9 0.883 112.9 36.7 -56.7 -35.9 77.8 15.9 48.0 211 219 A Q H <5S+ 0 0 66 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.746 107.5 69.7 -86.9 -23.2 75.9 13.4 50.1 212 220 A K H <5S+ 0 0 146 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.987 111.4 31.0 -52.8 -65.1 78.3 10.7 48.9 213 221 A V T <5S- 0 0 58 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.400 120.7-112.9 -71.9 -1.8 81.1 12.3 50.9 214 222 A H T 5S+ 0 0 139 -5,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.726 81.4 121.5 78.6 24.0 78.6 13.6 53.5 215 223 A F < + 0 0 7 -5,-2.7 17,-1.5 -6,-0.3 2,-0.6 0.869 68.8 65.0 -81.2 -37.9 78.7 17.2 53.0 216 224 A I E +D 231 0B 7 -6,-1.9 15,-0.3 15,-0.2 -2,-0.1 -0.738 62.2 175.9 -87.4 120.8 75.1 17.2 52.4 217 225 A T E + 0 0 48 13,-3.7 2,-0.3 -2,-0.6 14,-0.2 0.906 58.4 0.5 -90.8 -48.3 73.1 16.2 55.4 218 226 A D E -D 230 0B 29 12,-0.6 12,-1.6 -88,-0.0 2,-0.4 -0.850 62.5-123.4-137.8 169.3 69.4 16.5 54.6 219 227 A T E +D 229 0B 37 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.977 21.2 176.2-118.6 127.3 67.2 17.5 51.6 220 228 A L E S- 0 0 17 8,-3.4 2,-0.3 -2,-0.4 -93,-0.2 0.790 78.3 -13.2 -95.6 -46.0 64.7 20.4 52.1 221 229 A S E -D 228 0B 53 7,-2.0 7,-3.2 -94,-0.1 2,-0.4 -0.935 60.2-169.9-161.2 132.2 63.5 20.4 48.6 222 230 A K E +D 227 0B 88 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.864 19.2 157.7-131.5 102.2 65.0 18.9 45.6 223 231 A G - 0 0 37 3,-2.6 -2,-0.0 -2,-0.4 5,-0.0 -0.247 58.6 -84.4-104.1-164.8 63.5 19.8 42.2 224 232 A E S S+ 0 0 93 1,-0.1 -21,-0.2 -2,-0.1 -25,-0.2 0.330 122.4 14.5 -90.7 11.6 65.1 19.6 38.8 225 233 A T S S+ 0 0 52 1,-0.3 26,-2.5 -22,-0.1 2,-0.4 0.397 121.5 54.0-152.6 -16.3 66.9 22.8 39.0 226 234 A K E - E 0 250B 99 24,-0.2 -3,-2.6 2,-0.0 2,-0.4 -0.992 55.0-171.4-134.3 131.8 66.9 23.9 42.5 227 235 A F E -DE 222 249B 0 22,-2.3 22,-1.7 -2,-0.4 2,-0.5 -0.978 4.5-166.2-126.6 142.5 67.9 22.2 45.5 228 236 A M E +DE 221 248B 39 -7,-3.2 -8,-3.4 -2,-0.4 -7,-2.0 -0.986 33.4 133.6-125.7 112.3 67.4 23.3 49.1 229 237 A G E -DE 219 247B 0 18,-3.7 18,-2.1 -2,-0.5 2,-0.3 -0.610 48.1-100.0-141.2-158.9 69.4 21.5 51.7 230 238 A V E -DE 218 246B 0 -12,-1.6 -13,-3.7 16,-0.2 -12,-0.6 -0.981 32.9-179.8-134.0 137.2 71.6 21.1 54.8 231 239 A C E -DE 216 245B 0 14,-1.8 14,-2.3 -2,-0.3 -15,-0.2 -0.821 8.6-158.0-135.7 178.3 75.3 20.6 54.9 232 240 A Q - 0 0 24 -17,-1.5 12,-0.1 -2,-0.3 3,-0.1 -0.757 20.7-126.0-172.7 124.4 78.2 20.1 57.2 233 241 A L - 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