==== 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 8ICB . 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) . 234 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 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 . 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 1 0 3 2 1 0 2 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 1 2 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 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 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 0 218 0, 0.0 39,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -18.1 67.1 58.1 56.7 2 10 A T + 0 0 125 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.209 360.0 60.6-165.8 -17.7 67.1 59.4 60.3 3 11 A L S S+ 0 0 60 1,-0.1 42,-0.2 36,-0.1 3,-0.2 0.887 115.9 36.3 -87.1 -35.9 64.9 62.3 60.3 4 12 A N S >> S+ 0 0 7 35,-0.2 4,-2.0 1,-0.2 3,-0.5 0.570 94.3 109.5 -86.1 -9.4 62.0 60.2 59.1 5 13 A G H 3> + 0 0 13 2,-0.2 4,-4.1 1,-0.2 5,-0.2 0.717 68.1 45.4 -27.0 -76.1 63.1 57.2 61.2 6 14 A G H 3> S+ 0 0 39 -4,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.868 116.8 49.6 -49.9 -42.3 60.7 56.6 64.1 7 15 A I H <> S+ 0 0 7 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.913 113.4 43.4 -68.3 -44.8 57.8 57.1 61.8 8 16 A T H X S+ 0 0 21 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.943 116.2 49.0 -68.6 -39.8 59.0 54.8 59.3 9 17 A D H X S+ 0 0 104 -4,-4.1 4,-2.2 2,-0.2 -2,-0.2 0.884 112.3 46.0 -62.8 -39.5 60.0 52.4 61.9 10 18 A M H X S+ 0 0 6 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.2 0.934 112.1 52.6 -63.7 -46.5 56.7 52.4 63.7 11 19 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.723 109.2 49.0 -57.4 -38.6 54.8 52.2 60.5 12 20 A T H X S+ 0 0 49 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.917 108.5 52.0 -73.6 -43.6 56.8 49.1 59.4 13 21 A E H X S+ 0 0 100 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.949 113.1 49.9 -50.1 -51.7 56.2 47.5 62.8 14 22 A L H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.889 110.6 45.1 -53.8 -53.3 52.6 48.3 62.0 15 23 A A H >X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 3,-0.8 0.988 111.6 53.5 -59.1 -57.8 52.5 46.8 58.5 16 24 A N H 3X S+ 0 0 84 -4,-2.6 4,-1.9 1,-0.3 5,-0.4 0.800 104.2 56.3 -47.6 -33.8 54.2 43.7 59.5 17 25 A F H 3X>S+ 0 0 34 -4,-1.6 5,-1.5 -5,-0.3 4,-0.7 0.961 107.9 44.6 -69.9 -43.0 51.9 43.1 62.2 18 26 A E H <<5S+ 0 0 6 -4,-1.5 6,-0.9 -3,-0.8 -2,-0.2 0.938 111.5 55.2 -62.1 -46.5 48.8 43.1 59.9 19 27 A K H <5S+ 0 0 82 -4,-2.4 -1,-0.2 5,-0.2 -2,-0.2 0.917 122.8 21.2 -55.0 -48.1 50.4 41.0 57.4 20 28 A N H <5S+ 0 0 22 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.953 130.0 33.0 -90.9 -70.9 51.4 38.2 59.9 21 29 A V T <5S+ 0 0 31 -4,-0.7 -3,-0.2 -5,-0.4 2,-0.2 0.884 131.2 32.2 -53.9 -41.9 49.2 38.1 63.0 22 30 A S S + 0 0 26 -6,-0.9 4,-3.0 1,-0.2 5,-0.4 -0.286 17.4 166.3 -67.0 48.6 45.2 42.2 56.6 25 33 A I H > S+ 0 0 98 -2,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.702 76.6 50.9 -29.5 -43.0 47.2 42.3 53.2 26 34 A H H > S+ 0 0 147 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.960 111.4 40.5 -65.3 -64.1 45.6 45.7 52.5 27 35 A K H > S+ 0 0 111 -3,-0.4 4,-3.2 2,-0.3 5,-0.3 0.885 117.7 53.6 -55.1 -42.2 46.3 47.6 55.7 28 36 A Y H X S+ 0 0 35 -4,-3.0 4,-1.2 1,-0.3 -1,-0.3 0.948 109.3 44.5 -59.1 -46.8 49.6 46.0 55.6 29 37 A N H X S+ 0 0 81 -4,-1.7 4,-1.4 -5,-0.4 -1,-0.3 0.842 112.1 56.3 -69.1 -29.4 50.1 47.2 52.2 30 38 A A H >X S+ 0 0 30 -4,-2.5 4,-1.8 1,-0.2 3,-1.1 0.998 104.8 49.9 -62.5 -59.9 48.8 50.6 53.4 31 39 A Y H 3X S+ 0 0 13 -4,-3.2 4,-1.5 1,-0.3 -1,-0.2 0.715 110.6 54.7 -42.8 -35.1 51.3 51.0 56.2 32 40 A R H 3X S+ 0 0 137 -4,-1.2 4,-1.7 -5,-0.3 -1,-0.3 0.778 103.4 46.9 -76.9 -36.5 54.0 50.2 53.8 33 41 A K H S+ 0 0 0 -4,-1.8 4,-4.0 2,-0.3 5,-0.5 0.907 109.9 50.2 -55.1 -51.4 53.2 55.4 53.6 35 43 A A H X5S+ 0 0 4 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.3 0.900 112.5 51.1 -57.6 -39.0 56.2 54.1 55.4 36 44 A S H <5S+ 0 0 51 -4,-1.7 4,-0.5 2,-0.2 -2,-0.3 0.951 117.2 36.8 -62.3 -52.8 57.7 54.3 51.9 37 45 A V H >X5S+ 0 0 32 -4,-3.6 3,-2.3 2,-0.2 4,-1.3 0.942 111.1 53.5 -69.5 -52.4 56.7 57.8 51.3 38 46 A I H 3<5S+ 0 0 0 -4,-4.0 -1,-0.2 1,-0.3 -3,-0.2 0.800 107.4 61.9 -51.4 -27.1 57.0 59.5 54.7 39 47 A A T 3< S- 0 0 38 1,-0.2 4,-2.4 22,-0.0 -1,-0.3 -0.917 72.1 -97.3 177.4 157.7 52.6 66.6 62.9 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-4.0 1,-0.2 5,-0.2 0.923 119.2 57.5 -47.0 -56.5 50.0 64.2 61.5 49 57 A A H > S+ 0 0 66 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.849 107.0 45.1 -39.9 -56.2 48.6 67.0 59.4 50 58 A E H 4 S+ 0 0 39 -3,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.913 117.5 46.3 -57.7 -46.9 51.9 67.7 57.6 51 59 A A H >< S+ 0 0 0 -4,-2.4 3,-2.6 1,-0.2 -2,-0.2 0.947 104.8 63.0 -57.0 -55.5 52.3 64.0 57.1 52 60 A K H 3< S+ 0 0 89 -4,-4.0 -1,-0.2 1,-0.3 5,-0.2 0.716 85.6 71.3 -43.5 -37.0 48.8 63.7 56.0 53 61 A K T 3< S+ 0 0 159 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.689 86.0 99.3 -60.0 -15.1 49.2 65.9 52.9 54 62 A L S X S- 0 0 38 -3,-2.6 3,-0.8 -4,-0.2 2,-0.4 -0.201 88.0 -96.0 -72.2 166.6 51.2 63.0 51.7 55 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.659 111.3 16.6 -84.6 133.2 50.1 60.4 49.3 56 64 A G T 3 S+ 0 0 36 -2,-0.4 2,-1.5 1,-0.2 -22,-0.2 0.320 96.4 130.6 85.9 -4.9 48.9 57.2 50.9 57 65 A V < + 0 0 9 -3,-0.8 -1,-0.2 -5,-0.2 2,-0.0 -0.622 36.1 178.4 -90.4 93.5 48.6 59.3 54.0 58 66 A G > - 0 0 25 -2,-1.5 4,-2.2 -3,-0.1 5,-0.2 -0.177 44.8-101.6 -83.9 178.2 45.4 58.7 55.5 59 67 A T H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.785 117.0 55.8 -67.5 -36.3 43.7 59.9 58.4 60 68 A K H > S+ 0 0 136 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.831 112.8 40.0 -69.9 -34.6 44.3 56.6 60.3 61 69 A I H >> S+ 0 0 12 2,-0.2 4,-2.6 3,-0.1 3,-0.5 0.923 112.7 53.5 -77.4 -51.4 48.0 56.7 60.0 62 70 A A H 3X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.916 107.2 55.0 -49.7 -48.8 48.4 60.5 60.5 63 71 A E H 3X S+ 0 0 130 -4,-2.0 4,-1.6 1,-0.3 -1,-0.3 0.868 107.5 48.3 -52.4 -40.2 46.5 59.8 63.7 64 72 A K H - 0 0 2 -2,-0.3 4,-3.1 1,-0.1 5,-0.1 -0.910 13.6-144.3-158.4 123.8 52.1 54.1 70.5 75 83 A R H > S+ 0 0 161 -2,-0.3 4,-4.1 1,-0.2 5,-0.2 0.976 102.6 50.0 -56.0 -58.6 49.6 52.0 72.5 76 84 A K H > S+ 0 0 70 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.821 113.0 48.7 -50.2 -32.5 48.7 49.6 69.7 77 85 A L H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.975 114.6 44.1 -73.7 -46.5 52.3 49.1 69.3 78 86 A E H X S+ 0 0 80 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.902 113.3 51.4 -59.7 -45.1 52.7 48.5 73.0 79 87 A K H >X S+ 0 0 124 -4,-4.1 4,-2.3 1,-0.2 3,-0.6 0.964 112.9 44.8 -56.9 -56.7 49.6 46.3 73.1 80 88 A I H 3< S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.876 107.4 57.3 -55.2 -44.0 50.9 44.1 70.2 81 89 A R H 3< S+ 0 0 192 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.874 112.2 44.1 -55.7 -37.4 54.4 43.8 71.5 82 90 A Q H << S+ 0 0 142 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.899 85.1 114.3 -74.1 -45.2 52.8 42.4 74.6 83 91 A D X - 0 0 64 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 -0.090 53.5-156.6 -41.6 102.5 50.4 40.1 72.9 84 92 A D H > S+ 0 0 104 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.752 92.9 49.7 -53.2 -28.0 51.3 36.5 73.7 85 93 A T H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.986 110.7 43.8 -77.4 -53.1 49.6 35.5 70.7 86 94 A S H > S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.862 113.3 55.3 -56.5 -35.5 51.0 37.8 68.2 87 95 A S H X S+ 0 0 48 -4,-3.5 4,-2.2 1,-0.2 -1,-0.3 0.938 103.7 55.8 -61.7 -45.1 54.4 37.1 69.8 88 96 A S H X S+ 0 0 12 -4,-1.8 4,-2.3 -5,-0.3 5,-0.3 0.915 106.0 49.9 -54.5 -45.9 53.8 33.5 69.3 89 97 A I H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.925 108.6 51.6 -59.9 -44.1 53.3 34.0 65.6 90 98 A N H < S+ 0 0 69 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.911 113.4 46.2 -56.8 -43.8 56.4 36.0 65.1 91 99 A F H >< S+ 0 0 67 -4,-2.2 3,-2.4 1,-0.2 4,-0.4 0.939 107.7 51.2 -60.7 -62.7 58.4 33.4 66.8 92 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 6,-0.3 0.821 98.2 71.2 -49.2 -36.6 57.1 30.2 65.1 93 101 A T T 3< S+ 0 0 45 -4,-1.7 -1,-0.3 -5,-0.3 4,-0.3 0.816 82.4 70.2 -56.2 -27.8 57.8 31.9 61.9 94 102 A R T < S+ 0 0 117 -3,-2.4 -1,-0.3 -4,-0.3 2,-0.2 0.795 74.6 99.5 -62.8 -23.7 61.6 31.6 62.5 95 103 A V S X S- 0 0 1 -3,-2.0 2,-1.1 -4,-0.4 3,-1.0 -0.445 88.5-119.1 -64.6 131.1 61.3 27.9 62.0 96 104 A S T 3 S+ 0 0 39 1,-0.2 35,-0.5 -2,-0.2 36,-0.2 -0.602 104.4 32.7 -76.1 107.6 62.3 27.4 58.5 97 105 A G T 3 S+ 0 0 34 -2,-1.1 2,-0.3 1,-0.5 -1,-0.2 -0.211 97.2 100.1 143.3 -41.7 59.3 25.9 56.9 98 106 A I < + 0 0 10 -3,-1.0 -1,-0.5 -6,-0.3 0, 0.0 -0.573 46.0 173.6 -76.9 127.0 56.8 27.8 59.0 99 107 A G > - 0 0 28 -2,-0.3 4,-2.9 -3,-0.1 5,-0.1 -0.585 52.2 -81.4-119.8-177.1 55.2 30.8 57.4 100 108 A P H > S+ 0 0 38 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.880 125.5 55.6 -57.6 -41.9 52.5 33.0 58.8 101 109 A S H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.926 114.8 36.1 -59.7 -47.8 49.8 30.7 57.7 102 110 A A H > S+ 0 0 18 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.894 112.2 62.8 -70.8 -38.1 51.1 27.7 59.5 103 111 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.930 108.8 41.4 -49.5 -52.0 52.2 30.0 62.3 104 112 A R H >X S+ 0 0 52 -4,-3.3 4,-3.0 1,-0.2 3,-0.6 0.983 113.7 50.6 -59.8 -61.2 48.6 30.9 62.9 105 113 A K H 3X S+ 0 0 101 -4,-2.1 4,-1.8 1,-0.3 -2,-0.2 0.842 110.6 51.3 -44.1 -44.2 47.2 27.4 62.5 106 114 A F H 3X>S+ 0 0 0 -4,-3.7 5,-3.5 1,-0.2 4,-0.9 0.910 111.0 46.7 -64.1 -40.0 49.8 26.1 64.9 107 115 A V H X<5S+ 0 0 4 -4,-1.7 3,-0.8 -3,-0.6 -1,-0.2 0.912 104.6 62.6 -65.9 -41.1 49.0 28.6 67.4 108 116 A D H 3<5S+ 0 0 131 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.885 106.1 44.2 -48.9 -46.0 45.4 27.9 66.9 109 117 A E H 3<5S- 0 0 112 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.636 128.5 -99.5 -74.3 -19.2 46.0 24.4 68.1 110 118 A G T <<5S+ 0 0 35 -4,-0.9 2,-1.5 -3,-0.8 3,-0.3 0.500 75.8 138.0 111.8 4.8 48.1 25.6 70.9 111 119 A I < + 0 0 7 -5,-3.5 -1,-0.2 1,-0.2 -2,-0.1 -0.646 15.4 140.5 -86.8 95.4 51.7 25.1 69.6 112 120 A K + 0 0 73 -2,-1.5 -1,-0.2 -5,-0.1 -20,-0.1 0.851 52.0 56.5-100.8 -39.9 53.3 28.2 70.8 113 121 A T S > S- 0 0 61 -3,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.398 81.7-113.9 -94.1 166.8 56.8 27.1 71.9 114 122 A L H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.947 120.3 52.8 -61.0 -46.5 59.7 25.2 70.5 115 123 A E H > S+ 0 0 126 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 107.0 52.1 -55.9 -42.1 59.0 22.5 72.9 116 124 A D H > S+ 0 0 42 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.915 105.7 55.5 -58.3 -43.7 55.4 22.4 71.7 117 125 A L H >< S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 -1,-0.3 0.899 107.8 47.6 -59.2 -41.5 56.6 22.1 68.4 118 126 A R H >< S+ 0 0 121 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.967 102.3 60.3 -62.6 -55.0 58.6 19.1 69.2 119 127 A K H 3< S+ 0 0 157 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.728 115.3 40.0 -43.1 -27.0 55.9 17.3 71.0 120 128 A N T XX + 0 0 34 -4,-1.1 3,-1.5 -3,-0.5 4,-0.5 -0.312 64.6 141.7-121.7 46.2 54.1 17.5 67.7 121 129 A E G X4 S+ 0 0 102 -3,-2.1 3,-0.6 1,-0.3 -1,-0.1 0.736 71.0 67.4 -62.4 -14.6 56.7 16.8 65.3 122 130 A D G 34 S+ 0 0 119 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.802 91.5 57.7 -72.4 -30.3 54.0 14.8 63.5 123 131 A K G <4 S+ 0 0 81 -3,-1.5 -1,-0.2 -6,-0.2 2,-0.2 0.581 98.5 82.8 -74.7 -14.3 52.0 17.9 62.7 124 132 A L S << S- 0 0 5 -3,-0.6 2,-0.2 -4,-0.5 -27,-0.0 -0.613 75.3-132.8 -95.4 155.9 55.1 19.2 61.0 125 133 A N > - 0 0 82 -2,-0.2 4,-0.9 1,-0.0 5,-0.2 -0.494 37.9 -90.9 -97.3 168.7 56.2 18.4 57.4 126 134 A H H >> S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 3,-0.8 0.885 124.9 51.8 -49.2 -47.2 59.8 17.4 56.3 127 135 A H H >> S+ 0 0 44 1,-0.3 4,-2.8 2,-0.2 3,-0.8 0.981 114.9 41.2 -52.7 -62.2 60.9 21.0 55.6 128 136 A Q H 3> S+ 0 0 15 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.544 108.5 63.5 -61.6 -11.2 59.8 22.1 59.1 129 137 A R H < S+ 0 0 8 -4,-1.2 3,-1.5 -5,-0.2 -1,-0.3 0.934 111.4 50.9 -64.2 -52.4 63.0 22.4 63.7 133 141 A K H 3< S+ 0 0 126 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.909 118.7 34.2 -52.8 -54.7 66.0 20.1 64.0 134 142 A Y T 3X S+ 0 0 21 -4,-2.9 4,-2.0 1,-0.2 -1,-0.3 -0.147 77.4 133.0 -94.4 32.0 68.6 22.6 63.0 135 143 A F H <> S+ 0 0 26 -3,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.897 76.9 39.3 -51.2 -48.0 66.8 25.5 64.6 136 144 A G H >> S+ 0 0 36 -3,-0.3 3,-3.7 -4,-0.2 4,-1.1 0.997 117.3 46.6 -62.0 -74.8 70.0 26.7 66.3 137 145 A D H 34 S+ 0 0 36 1,-0.3 109,-0.2 2,-0.2 -1,-0.2 0.677 109.4 59.1 -40.3 -26.0 72.5 26.1 63.5 138 146 A F H 3< S+ 0 0 38 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.811 105.3 45.4 -80.6 -24.0 70.1 27.7 61.2 139 147 A E H << S+ 0 0 94 -3,-3.7 -2,-0.2 -4,-0.7 -1,-0.2 0.729 95.2 99.9 -85.9 -24.0 70.0 31.0 63.0 140 148 A K S < S- 0 0 115 -4,-1.1 2,-0.0 1,-0.1 -4,-0.0 -0.190 74.6-116.0 -64.5 145.7 73.9 31.1 63.3 141 149 A R - 0 0 136 1,-0.0 40,-0.2 41,-0.0 -1,-0.1 -0.296 24.2-120.2 -78.2 165.4 76.1 33.1 61.0 142 150 A I E -A 180 0A 0 38,-2.3 38,-2.6 40,-0.1 40,-0.1 -0.910 20.5-135.1-113.6 109.8 78.7 31.5 58.7 143 151 A P E >> -A 179 0A 40 0, 0.0 3,-2.8 0, 0.0 4,-1.9 -0.418 13.6-133.5 -62.7 133.6 82.3 32.6 59.3 144 152 A R H 3> S+ 0 0 62 34,-2.4 4,-2.5 1,-0.3 5,-0.3 0.852 108.2 71.7 -50.8 -36.6 83.9 33.3 56.0 145 153 A E H 3> S+ 0 0 120 33,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.795 107.1 35.6 -47.6 -37.2 86.7 31.1 57.4 146 154 A E H <> S+ 0 0 27 -3,-2.8 4,-3.2 2,-0.2 5,-0.3 0.764 107.2 67.2 -84.9 -34.9 84.2 28.2 56.9 147 155 A M H X S+ 0 0 2 -4,-1.9 4,-3.1 1,-0.3 -2,-0.2 0.885 102.3 47.4 -51.0 -43.7 82.8 29.7 53.8 148 156 A L H X S+ 0 0 72 -4,-2.5 4,-2.6 2,-0.2 -1,-0.3 0.867 111.4 52.9 -65.2 -40.4 86.2 29.0 52.2 149 157 A Q H X S+ 0 0 63 -4,-0.5 4,-1.8 -5,-0.3 -2,-0.2 0.911 115.4 37.7 -60.8 -48.4 86.1 25.5 53.6 150 158 A M H X S+ 0 0 1 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.938 115.9 53.3 -68.4 -52.8 82.8 24.7 52.2 151 159 A Q H X S+ 0 0 56 -4,-3.1 4,-2.1 -5,-0.3 5,-0.2 0.894 107.7 54.7 -48.6 -45.7 83.5 26.6 49.0 152 160 A D H >X S+ 0 0 83 -4,-2.6 4,-1.6 1,-0.2 3,-0.6 0.983 110.2 41.5 -52.8 -66.6 86.6 24.6 48.7 153 161 A I H 3X S+ 0 0 36 -4,-1.8 4,-1.9 1,-0.3 5,-0.3 0.854 110.3 58.8 -51.8 -42.1 85.0 21.2 48.9 154 162 A V H 3X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.3 -1,-0.3 0.917 103.8 49.8 -57.6 -44.6 82.2 22.1 46.7 155 163 A L H < - 0 0 44 -4,-1.8 3,-1.1 -5,-0.3 -1,-0.3 -0.989 54.2-150.8-143.9 132.4 82.5 16.5 35.5 163 171 A S T 3 S+ 0 0 83 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.651 93.9 73.0 -68.3 -21.3 85.3 18.8 34.6 164 172 A E T 3 S+ 0 0 110 -5,-0.1 -1,-0.2 -6,-0.1 -5,-0.1 0.628 74.6 102.3 -70.2 -22.3 82.8 20.6 32.5 165 173 A Y < - 0 0 16 -3,-1.1 2,-0.4 -7,-0.3 24,-0.2 -0.290 52.6-157.1 -69.4 154.8 80.9 22.3 35.4 166 174 A I E +B 188 0B 56 22,-1.6 22,-1.3 2,-0.0 2,-0.4 -0.969 13.1 179.8-133.8 114.2 81.2 25.7 36.5 167 175 A A E -B 187 0B 20 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.899 5.8-176.0-118.8 149.6 80.2 26.8 39.9 168 176 A T E -B 186 0B 29 18,-1.5 18,-2.9 -2,-0.4 2,-1.1 -0.998 23.5-136.2-138.8 140.1 80.4 30.1 41.6 169 177 A V E -B 185 0B 3 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.815 33.4-170.1-103.0 99.6 79.5 30.9 45.1 170 178 A C E +B 184 0B 2 14,-1.6 14,-0.6 -2,-1.1 3,-0.3 -0.060 35.2 59.1 -75.7-177.9 77.5 34.0 44.8 171 179 A G S >> S- 0 0 16 93,-0.3 3,-1.0 90,-0.2 4,-0.8 -0.414 106.5 -35.4 95.2-167.0 76.3 36.4 47.5 172 180 A S T 34>S+ 0 0 33 1,-0.3 5,-1.2 2,-0.2 3,-0.3 0.809 131.8 66.9 -60.4 -30.4 78.1 38.6 50.2 173 181 A F T >45S+ 0 0 9 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.882 102.5 44.5 -54.1 -43.6 80.6 35.8 50.4 174 182 A R T <45S+ 0 0 51 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.625 107.3 60.6 -73.6 -24.4 81.6 36.6 46.9 175 183 A R T 3<5S- 0 0 63 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.027 125.3 -98.2 -94.6 21.9 81.6 40.3 47.9 176 184 A G T < 5 + 0 0 36 -3,-0.9 -3,-0.2 1,-0.2 -4,-0.1 -0.091 61.9 172.7 88.5 -32.2 84.3 39.7 50.6 177 185 A A < - 0 0 26 -5,-1.2 -1,-0.2 1,-0.2 -33,-0.1 0.365 39.2-135.2 -11.2 115.5 81.9 39.5 53.6 178 186 A E S S+ 0 0 155 1,-0.2 -34,-2.4 -35,-0.1 -33,-0.3 0.755 89.0 8.2 -52.0 -22.9 83.4 38.5 56.9 179 187 A S E -A 143 0A 44 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.991 64.0-155.1-161.4 151.7 80.4 36.2 57.2 180 188 A S E -A 142 0A 2 -38,-2.6 -38,-2.3 -2,-0.3 3,-0.1 -0.922 19.7-139.5-132.4 157.1 77.4 34.8 55.5 181 189 A G S S- 0 0 32 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.771 84.4 -12.7 -78.5 -39.3 74.1 33.4 56.4 182 190 A D S S- 0 0 72 63,-0.1 2,-0.5 -40,-0.1 -1,-0.3 -0.986 73.8 -97.8-162.5 153.0 74.0 30.5 53.9 183 191 A M E - c 0 247B 1 63,-1.5 65,-1.7 -2,-0.3 2,-0.7 -0.636 27.2-162.2 -88.5 135.6 75.9 29.3 50.9 184 192 A D E -Bc 170 248B 28 -14,-0.6 -14,-1.6 -2,-0.5 2,-0.7 -0.721 4.3-170.0-110.2 89.4 74.6 30.0 47.4 185 193 A V E -Bc 169 249B 2 63,-1.7 65,-1.7 -2,-0.7 2,-0.6 -0.595 5.0-161.7 -83.0 117.0 76.1 27.9 44.6 186 194 A L E -Bc 168 250B 3 -18,-2.9 -18,-1.5 -2,-0.7 2,-0.4 -0.752 20.6-172.2 -90.7 123.6 75.2 29.1 41.1 187 195 A L E +B 167 0B 2 63,-2.1 2,-0.3 -2,-0.6 -20,-0.2 -0.889 16.5 155.2-126.9 153.9 75.8 26.3 38.7 188 196 A T E -B 166 0B 0 -22,-1.3 -22,-1.6 -2,-0.4 5,-0.1 -0.931 17.7-157.6-156.1 176.5 75.8 25.7 35.0 189 197 A H B > -Fg 192 253C 14 63,-0.9 65,-1.1 3,-0.5 3,-0.8 -0.960 28.1-123.8-157.3 157.4 77.1 23.6 32.4 190 198 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.741 109.1 67.5 -79.9 -26.8 77.6 24.0 28.7 191 199 A S T 3 S+ 0 0 61 1,-0.1 2,-0.3 -3,-0.1 11,-0.1 0.437 102.3 61.4 -72.9 6.4 75.6 21.1 27.8 192 200 A F B < +F 189 0C 15 -3,-0.8 62,-4.6 60,-0.2 -3,-0.5 -0.982 63.2 131.7-141.3 121.9 72.7 23.2 29.2 193 201 A T - 0 0 31 60,-0.4 5,-0.2 -2,-0.3 -5,-0.0 -0.964 68.3 -53.4-163.2 159.5 71.4 26.6 28.0 194 202 A S S S+ 0 0 65 -2,-0.3 4,-0.1 1,-0.2 62,-0.0 0.345 129.8 14.0 2.8 -65.5 68.3 28.5 27.0 195 203 A E S S+ 0 0 151 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.913 90.7 105.8 -89.5 -61.2 66.9 25.9 24.5 196 204 A S S S- 0 0 41 1,-0.2 2,-1.7 3,-0.0 -3,-0.3 0.039 86.3-114.6 -30.9 86.3 68.8 22.6 25.0 197 205 A T - 0 0 129 -5,-0.1 -1,-0.2 -2,-0.1 -3,-0.1 0.088 50.4 -93.4 -31.3 64.6 66.0 20.7 26.7 198 206 A K - 0 0 97 -2,-1.7 -5,-0.1 -5,-0.2 -3,-0.0 0.115 18.3-138.7 55.9-170.4 67.5 20.3 30.1 199 207 A Q > - 0 0 78 25,-0.2 3,-3.1 -7,-0.1 4,-0.5 -0.162 18.3-172.8 167.7 65.0 69.5 17.5 31.6 200 208 A P T >> S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.775 82.6 69.4 -40.3 -36.8 68.0 17.4 35.1 201 209 A K H 3> S+ 0 0 130 1,-0.3 4,-3.8 2,-0.2 5,-0.3 0.864 82.0 74.1 -51.9 -42.8 70.6 14.9 35.9 202 210 A L H <> S+ 0 0 2 -3,-3.1 4,-1.0 1,-0.3 -1,-0.3 0.868 105.6 34.7 -38.8 -57.3 73.0 17.7 35.7 203 211 A L H X> S+ 0 0 0 -3,-0.6 4,-1.6 -4,-0.5 3,-0.6 0.971 119.0 53.6 -61.6 -50.9 71.8 19.0 39.0 204 212 A H H 3X S+ 0 0 45 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.815 98.8 59.9 -45.8 -53.3 71.2 15.6 40.3 205 213 A Q H 3X S+ 0 0 74 -4,-3.8 4,-1.4 1,-0.3 -1,-0.2 0.834 110.5 42.9 -49.7 -45.9 74.7 14.1 39.7 206 214 A V H X S+ 0 0 30 -4,-1.4 4,-1.6 2,-0.2 3,-0.5 0.994 108.7 50.7 -59.6 -62.5 78.2 13.6 44.7 210 218 A L H 3<>S+ 0 0 2 -4,-2.9 5,-2.9 1,-0.3 6,-1.0 0.727 115.4 44.8 -42.7 -39.0 78.1 16.1 47.5 211 219 A Q H ><5S+ 0 0 73 -4,-2.2 3,-1.0 3,-0.2 -1,-0.3 0.861 102.2 65.4 -72.0 -45.3 76.0 13.7 49.6 212 220 A K H <<5S+ 0 0 152 -4,-2.4 -2,-0.2 -3,-0.5 -1,-0.2 0.855 109.8 38.7 -46.5 -45.1 78.1 10.7 48.7 213 221 A V T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.601 120.4-107.2 -86.6 -12.6 80.9 12.3 50.6 214 222 A H T < 5S+ 0 0 138 -3,-1.0 -3,-0.2 -4,-0.4 18,-0.2 0.668 85.9 115.3 95.2 22.1 78.7 13.7 53.4 215 223 A F S > -g 189 0C 18 0, 0.0 3,-2.9 0, 0.0 4,-0.6 -0.502 34.1-128.9 -63.5 125.2 71.7 27.6 31.1 254 262 A K T 34 S+ 0 0 51 -62,-4.6 3,-0.4 -65,-1.1 4,-0.3 0.735 108.1 69.7 -51.2 -19.4 75.3 28.4 30.4 255 263 A D T 34 S+ 0 0 70 -63,-0.2 -1,-0.3 1,-0.2 50,-0.2 0.416 106.2 35.0 -82.5 8.7 73.9 31.1 28.3 256 264 A Q T <> S+ 0 0 39 -3,-2.9 4,-2.2 33,-0.1 3,-0.2 0.393 83.9 104.4-139.6 3.6 72.6 33.0 31.4 257 265 A Y H >X S+ 0 0 3 -4,-0.6 4,-4.0 -3,-0.4 3,-0.6 0.970 76.0 50.3 -47.9 -81.9 75.2 32.5 34.1 258 266 A Y H 3> S+ 0 0 36 -4,-0.3 4,-2.8 1,-0.3 -1,-0.2 0.641 114.1 43.9 -32.3 -41.1 77.1 35.8 34.2 259 267 A C H 3> S+ 0 0 7 2,-0.2 4,-3.8 -3,-0.2 -1,-0.3 0.935 117.8 45.9 -73.8 -47.4 74.1 37.9 34.5 260 268 A G H X S+ 0 0 5 -4,-2.8 3,-0.7 -5,-0.3 4,-0.5 0.949 114.8 43.8 -48.0 -57.6 76.2 39.3 38.2 263 271 A Y H >< S+ 0 0 64 -4,-3.8 3,-1.4 1,-0.2 -2,-0.2 0.875 108.9 49.0 -54.0 -61.8 73.0 39.6 39.8 264 272 A F H 3< S+ 0 0 68 -4,-3.1 -93,-0.3 1,-0.3 -1,-0.2 0.562 105.2 64.4 -64.1 -12.7 72.9 37.3 42.8 265 273 A T H << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.677 88.9 130.8 -82.3 -26.7 76.3 38.8 43.8 266 274 A G << - 0 0 4 -3,-1.4 2,-0.2 -4,-0.5 -1,-0.2 -0.216 69.4-138.2 65.4-147.7 74.8 42.2 44.3 267 275 A S > - 0 0 8 59,-0.3 4,-2.5 -3,-0.1 5,-0.2 0.695 34.9-126.7 -74.4 178.3 74.8 44.2 46.3 268 276 A D H > S+ 0 0 137 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.894 113.6 43.9 -51.4 -43.0 71.1 44.9 46.1 269 277 A I H > S+ 0 0 79 57,-0.3 4,-2.9 1,-0.2 5,-0.3 0.911 109.8 53.7 -70.5 -43.2 72.2 48.5 45.6 270 278 A F H > S+ 0 0 0 56,-0.4 4,-2.9 55,-0.4 -1,-0.2 0.856 111.5 47.2 -57.2 -36.9 75.0 47.9 43.2 271 279 A N H X S+ 0 0 8 -4,-2.5 4,-3.8 2,-0.2 -1,-0.2 0.959 111.5 47.9 -65.5 -59.8 72.6 46.0 41.0 272 280 A K H X S+ 0 0 148 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.949 116.5 45.1 -47.5 -61.1 69.9 48.5 41.1 273 281 A N H X S+ 0 0 97 -4,-2.9 4,-2.0 54,-0.3 -1,-0.2 0.898 115.3 44.8 -51.9 -51.9 72.4 51.2 40.3 274 282 A M H X S+ 0 0 2 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.923 114.5 52.2 -56.8 -42.3 74.2 49.4 37.6 275 283 A R H X S+ 0 0 66 -4,-3.8 4,-0.6 1,-0.2 -2,-0.2 0.910 105.3 52.8 -57.0 -51.8 70.9 48.4 36.3 276 284 A A H >X S+ 0 0 56 -4,-3.4 4,-0.6 1,-0.2 3,-0.6 0.839 110.5 50.9 -55.7 -36.6 69.7 52.0 36.3 277 285 A H H >X S+ 0 0 40 -4,-2.0 4,-2.4 -5,-0.2 3,-1.4 0.914 96.3 63.0 -69.0 -45.9 72.8 52.8 34.3 278 286 A A H 3<>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.3 -1,-0.2 0.692 100.4 61.7 -51.4 -19.5 72.4 50.2 31.6 279 287 A L H X<5S+ 0 0 75 -4,-0.6 3,-0.7 -3,-0.6 -1,-0.3 0.765 106.3 39.8 -74.4 -41.1 69.1 52.2 30.8 280 288 A E H <<5S+ 0 0 138 -3,-1.4 2,-1.3 -4,-0.6 -2,-0.2 0.970 110.6 60.0 -72.3 -56.2 70.8 55.3 29.9 281 289 A K T 3<5S- 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.101 128.4-100.0 -58.8 21.5 73.4 53.4 28.2 282 290 A G T < 5S+ 0 0 30 -2,-1.3 11,-2.2 -3,-0.7 2,-0.3 0.788 84.0 106.9 60.2 39.7 70.6 52.0 26.0 283 291 A F E < -H 292 0D 33 -5,-2.9 2,-0.4 9,-0.3 -1,-0.2 -0.809 57.8-132.9-139.5 179.9 70.1 48.6 27.7 284 292 A T E -H 291 0D 34 7,-1.4 7,-2.5 -2,-0.3 2,-0.3 -0.977 18.2-166.1-144.9 123.5 68.2 46.4 29.9 285 293 A I E +H 290 0D 21 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.864 18.2 146.5-111.0 140.8 69.4 44.2 32.7 286 294 A N E > -H 289 0D 44 3,-1.3 3,-2.2 -2,-0.3 2,-0.4 -0.934 64.2 -73.7-170.4 149.4 67.8 41.4 34.6 287 295 A E T 3 S+ 0 0 64 -2,-0.3 -23,-0.1 1,-0.3 -24,-0.1 0.506 126.0 26.1 -19.4 -22.3 68.6 38.1 36.3 288 296 A Y T 3 S- 0 0 125 -2,-0.4 2,-0.3 -29,-0.2 -1,-0.3 0.596 118.2 -6.6-131.2 -11.1 69.2 36.5 32.9 289 297 A T E < -H 286 0D 21 -3,-2.2 -3,-1.3 -30,-0.1 2,-0.3 -0.885 51.7-114.6-161.2-163.0 70.2 38.7 30.1 290 298 A I E -H 285 0D 0 -2,-0.3 13,-2.7 13,-0.2 -5,-0.2 -0.870 26.4-163.9-157.4 116.0 70.8 42.0 28.8 291 299 A R E -H 284 0D 88 -7,-2.5 -7,-1.4 -2,-0.3 2,-0.4 -0.851 21.6-119.1-112.1 143.4 68.8 43.5 26.0 292 300 A P E -H 283 0D 38 0, 0.0 2,-0.3 0, 0.0 -9,-0.3 -0.617 35.0-123.6 -76.2 126.8 69.4 46.5 23.8 293 301 A L - 0 0 57 -11,-2.2 2,-0.3 -2,-0.4 5,-0.1 -0.552 19.9-153.9 -79.8 135.3 66.8 49.2 24.1 294 302 A G > - 0 0 24 -2,-0.3 3,-1.1 1,-0.1 -12,-0.0 -0.838 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