==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-APR-96 1ZQS . 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) . 18131.0 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 . 29 8.9 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 . 1 0.3 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 . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.6 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 1 3 1 1 0 2 1 0 0 2 0 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 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 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 0 216 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -16.2 67.0 57.9 56.9 2 10 A T + 0 0 121 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.216 360.0 68.4-167.3 -20.8 66.9 59.1 60.5 3 11 A L S S+ 0 0 59 1,-0.2 42,-0.3 36,-0.1 4,-0.1 0.866 116.4 33.5 -82.2 -24.6 64.8 62.3 60.6 4 12 A N S >> S+ 0 0 9 35,-0.2 4,-1.4 1,-0.1 3,-0.5 0.356 90.9 117.1-108.4 6.0 62.0 60.2 59.9 5 13 A G H >> S+ 0 0 15 1,-0.2 3,-2.3 2,-0.2 4,-1.7 0.806 70.1 47.3 -26.1 -93.8 63.1 57.1 61.7 6 14 A G H 3> S+ 0 0 38 1,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.792 111.8 53.3 -26.7 -49.2 60.6 56.4 64.4 7 15 A I H <> S+ 0 0 7 -3,-0.5 4,-1.3 2,-0.2 -1,-0.3 0.891 110.7 47.0 -66.6 -34.7 57.8 56.9 62.0 8 16 A T H S+ 0 0 40 -4,-2.0 5,-1.4 -5,-0.3 4,-1.2 0.972 103.9 47.2 -57.3 -58.0 51.8 42.8 62.5 18 26 A E H <5S+ 0 0 6 -4,-1.4 6,-0.5 1,-0.2 4,-0.4 0.929 113.3 51.9 -50.1 -47.5 48.7 42.9 60.3 19 27 A K H <5S+ 0 0 83 -4,-1.9 -1,-0.2 5,-0.2 -2,-0.2 0.955 123.2 22.9 -55.8 -54.7 50.4 40.8 57.8 20 28 A N H <5S+ 0 0 17 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.976 129.9 32.7 -83.6 -66.9 51.4 38.0 60.3 21 29 A V T <5S+ 0 0 28 -4,-1.2 -3,-0.2 -5,-0.3 2,-0.2 0.836 130.5 32.8 -65.6 -26.8 49.3 37.9 63.4 22 30 A S S + 0 0 26 -6,-0.5 4,-3.1 1,-0.2 5,-0.3 -0.215 17.1 164.5 -51.1 52.9 45.2 42.0 57.0 25 33 A I H > S+ 0 0 101 -2,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.850 77.8 44.3 -39.5 -47.1 47.1 42.1 53.6 26 34 A H H > S+ 0 0 148 2,-0.2 4,-5.0 3,-0.2 -1,-0.2 0.952 111.9 47.7 -67.0 -55.9 45.7 45.4 52.8 27 35 A K H > S+ 0 0 112 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.887 117.5 48.5 -55.0 -40.7 46.2 47.2 56.1 28 36 A Y H X S+ 0 0 33 -4,-3.1 4,-1.5 2,-0.2 -1,-0.3 0.916 110.7 44.6 -68.2 -46.3 49.5 45.8 55.9 29 37 A N H X S+ 0 0 80 -4,-2.4 4,-1.7 -5,-0.3 5,-0.2 0.919 111.9 59.6 -65.0 -34.8 50.1 46.9 52.4 30 38 A A H >X S+ 0 0 34 -4,-5.0 4,-1.8 1,-0.2 3,-0.8 0.985 103.4 47.7 -52.7 -65.5 48.6 50.2 53.7 31 39 A Y H 3X S+ 0 0 14 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.832 109.8 56.8 -47.0 -34.0 51.3 50.6 56.4 32 40 A R H 3X S+ 0 0 133 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.897 103.3 46.2 -72.7 -38.8 54.1 49.9 53.9 33 41 A K H X S+ 0 0 36 -4,-3.1 3,-1.6 1,-0.2 4,-1.5 0.948 111.3 57.2 -66.5 -48.9 56.6 57.7 51.5 38 46 A I H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -3,-0.2 0.710 103.9 57.9 -54.8 -22.1 57.1 59.1 54.9 39 47 A A H 34 S+ 0 0 44 -5,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.777 103.6 49.2 -77.9 -31.1 60.6 57.8 54.5 40 48 A K H << S+ 0 0 182 -3,-1.6 -2,-0.2 -4,-0.8 -1,-0.2 0.853 83.6 110.0 -73.7 -40.5 61.3 59.9 51.4 41 49 A Y < - 0 0 59 -4,-1.5 4,-0.1 1,-0.2 -37,-0.1 -0.228 62.7-146.4 -50.0 119.3 60.1 63.2 52.9 42 50 A P + 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.274 69.6 68.6 -70.7 -3.9 63.0 65.5 53.4 43 51 A H S S- 0 0 105 -39,-0.0 2,-0.2 1,-0.0 -2,-0.0 -0.862 88.9 -95.2-127.0 164.9 61.6 67.1 56.5 44 52 A K - 0 0 112 -2,-0.3 2,-0.5 1,-0.1 -40,-0.1 -0.441 41.1-127.1 -68.0 133.1 60.9 66.3 60.1 45 53 A I - 0 0 8 -42,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.694 29.2-179.9 -83.9 130.9 57.3 65.4 60.4 46 54 A K + 0 0 144 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.539 60.1 0.5-109.1 -2.2 55.9 67.6 63.1 47 55 A S > - 0 0 41 1,-0.2 4,-2.1 -3,-0.1 -1,-0.4 -0.935 68.8-104.2-176.6 158.3 52.5 66.4 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.7 1,-0.3 3,-0.8 0.952 119.7 55.7 -49.3 -60.9 49.9 64.0 61.6 49 57 A A H 3> S+ 0 0 65 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.777 105.8 52.5 -37.5 -45.1 48.4 66.7 59.7 50 58 A E H >4 S+ 0 0 40 2,-0.2 3,-0.6 -3,-0.2 -1,-0.3 0.941 115.2 39.9 -58.5 -51.7 51.7 67.3 58.3 51 59 A A H X< S+ 0 0 0 -4,-2.1 3,-4.5 -3,-0.8 -2,-0.2 0.924 103.4 69.7 -58.4 -54.5 52.1 63.7 57.3 52 60 A K H 3< S+ 0 0 95 -4,-3.7 -1,-0.2 1,-0.4 -2,-0.2 0.726 81.9 72.9 -40.7 -32.5 48.6 63.5 56.2 53 61 A K T << S+ 0 0 164 -4,-1.0 -1,-0.4 -3,-0.6 -2,-0.2 0.680 87.1 98.5 -63.5 -8.6 49.4 65.7 53.3 54 62 A L S X S- 0 0 40 -3,-4.5 3,-0.6 1,-0.1 2,-0.5 -0.203 86.2 -99.3 -78.8 169.7 51.1 62.7 52.0 55 63 A P T 3 S+ 0 0 91 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.760 109.4 13.0 -90.4 128.6 50.1 60.1 49.6 56 64 A G T 3 S+ 0 0 37 -2,-0.5 2,-1.0 1,-0.3 -22,-0.2 0.344 98.2 123.0 88.2 -3.5 48.8 57.0 51.3 57 65 A V < + 0 0 10 -3,-0.6 -1,-0.3 -5,-0.2 2,-0.1 -0.753 40.1 173.2 -94.5 113.1 48.7 58.8 54.3 58 66 A G > - 0 0 26 -2,-1.0 4,-2.4 -3,-0.1 3,-0.3 -0.443 49.7 -88.1-108.6-174.6 45.3 58.7 55.8 59 67 A T H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.884 122.2 56.4 -53.4 -45.3 43.3 59.7 58.8 60 68 A K H > S+ 0 0 140 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.773 112.1 36.4 -60.6 -39.4 44.2 56.3 60.3 61 69 A I H > S+ 0 0 16 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.786 112.4 59.8 -84.9 -31.5 48.0 56.5 60.2 62 70 A A H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.955 102.6 53.3 -59.1 -51.8 48.0 60.2 60.9 63 71 A E H X S+ 0 0 133 -4,-2.1 4,-1.8 1,-0.3 -1,-0.2 0.873 109.0 49.2 -52.2 -39.9 46.4 59.6 64.1 64 72 A K H X S+ 0 0 37 -4,-0.7 4,-2.0 1,-0.2 -1,-0.3 0.950 106.1 56.4 -70.6 -42.9 48.9 57.1 65.0 65 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.916 106.8 49.1 -56.5 -43.4 51.7 59.5 64.0 66 74 A D H X S+ 0 0 70 -4,-2.6 4,-4.5 1,-0.2 5,-0.3 0.973 109.4 51.6 -58.8 -50.1 50.5 62.2 66.5 67 75 A E H X S+ 0 0 78 -4,-1.8 4,-2.0 1,-0.3 6,-0.6 0.859 113.4 45.2 -50.5 -42.4 50.2 59.7 69.3 68 76 A F H < S+ 0 0 57 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.823 116.5 46.7 -71.2 -33.5 53.8 58.6 68.6 69 77 A L H < S+ 0 0 55 -4,-2.3 -2,-0.2 -3,-0.2 -3,-0.2 0.951 114.8 43.9 -70.9 -56.3 54.9 62.1 68.3 70 78 A A H < S+ 0 0 85 -4,-4.5 2,-0.4 1,-0.2 -2,-0.2 0.962 127.3 25.4 -52.2 -65.4 53.2 63.4 71.3 71 79 A T S < S- 0 0 66 -4,-2.0 2,-3.9 2,-0.3 -1,-0.2 -0.861 89.4-116.1-104.6 131.3 54.2 60.5 73.6 72 80 A G S S+ 0 0 75 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.148 92.8 37.6 -57.0 34.1 57.3 58.4 72.8 73 81 A K - 0 0 102 -2,-3.9 2,-0.3 -6,-0.6 -2,-0.3 -0.858 69.3-126.1-159.1-166.2 55.1 55.4 72.2 74 82 A L > - 0 0 2 -2,-0.3 4,-3.1 1,-0.1 5,-0.1 -0.940 12.8-144.8-157.4 129.9 51.9 53.9 70.9 75 83 A R H > S+ 0 0 157 -2,-0.3 4,-3.7 2,-0.2 5,-0.3 0.982 102.5 52.0 -63.1 -55.4 49.5 51.7 72.8 76 84 A K H > S+ 0 0 72 1,-0.3 4,-1.8 2,-0.2 5,-0.3 0.888 114.0 47.0 -46.6 -42.3 48.5 49.5 69.9 77 85 A L H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.972 113.7 46.0 -65.9 -49.6 52.1 49.1 69.5 78 86 A E H X S+ 0 0 79 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.834 111.8 52.9 -60.5 -34.6 52.6 48.4 73.2 79 87 A K H X S+ 0 0 121 -4,-3.7 4,-3.7 2,-0.2 -1,-0.2 0.872 111.6 43.5 -67.3 -44.5 49.6 46.0 73.4 80 88 A I H < S+ 0 0 25 -4,-1.8 7,-0.2 -5,-0.3 -2,-0.2 0.973 108.7 56.8 -64.9 -56.5 50.7 43.7 70.5 81 89 A R H < S+ 0 0 191 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.791 115.2 41.2 -47.2 -28.5 54.3 43.7 71.7 82 90 A Q H < S+ 0 0 136 -4,-0.6 -2,-0.3 -5,-0.2 -1,-0.2 0.946 89.1 111.0 -85.4 -52.5 52.7 42.4 74.8 83 91 A D X - 0 0 61 -4,-3.7 4,-4.1 1,-0.1 5,-0.2 0.058 53.1-158.9 -34.6 100.9 50.2 40.0 73.1 84 92 A D H > S+ 0 0 103 2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.784 90.7 46.1 -52.5 -40.8 51.2 36.4 73.7 85 93 A T H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.979 116.8 45.6 -66.9 -51.1 49.4 34.9 70.9 86 94 A S H > S+ 0 0 2 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.889 111.5 51.6 -51.6 -50.3 50.7 37.5 68.8 87 95 A S H X S+ 0 0 53 -4,-4.1 4,-1.0 1,-0.3 -1,-0.3 0.865 106.0 60.6 -51.0 -43.5 54.1 37.0 70.3 88 96 A S H >X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 3,-0.6 0.844 99.0 51.4 -51.8 -50.3 53.6 33.4 69.5 89 97 A I H 3X S+ 0 0 3 -4,-1.7 4,-1.4 -3,-0.5 -1,-0.2 0.886 105.6 54.9 -58.8 -44.6 53.3 33.8 65.8 90 98 A N H 3< S+ 0 0 66 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.755 112.8 44.5 -60.1 -27.6 56.5 35.8 65.4 91 99 A F H X< S+ 0 0 65 -4,-1.0 3,-1.3 -3,-0.6 4,-0.3 0.893 107.6 52.3 -81.2 -52.9 58.4 33.1 67.1 92 100 A L H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 6,-0.2 0.748 100.1 70.9 -58.6 -27.0 57.0 30.0 65.5 93 101 A T T 3< S+ 0 0 42 -4,-1.4 5,-0.3 -5,-0.3 4,-0.3 0.841 82.8 67.0 -61.1 -35.0 57.9 31.8 62.3 94 102 A R T < S+ 0 0 119 -3,-1.3 2,-0.7 -4,-0.3 -1,-0.2 0.618 77.0 101.2 -60.8 -17.8 61.7 31.4 62.8 95 103 A V S X S- 0 0 0 -3,-1.2 3,-3.1 -4,-0.3 2,-0.4 -0.620 88.1-114.2 -75.6 115.1 61.2 27.7 62.4 96 104 A S T 3 S+ 0 0 33 -2,-0.7 35,-0.4 1,-0.3 36,-0.2 -0.353 104.7 26.9 -55.7 108.2 62.3 27.0 58.9 97 105 A G T 3 S+ 0 0 29 1,-0.6 2,-0.3 -2,-0.4 -1,-0.3 0.244 96.9 112.2 123.8 -12.0 59.4 25.9 57.1 98 106 A I < + 0 0 16 -3,-3.1 -1,-0.6 -5,-0.3 3,-0.0 -0.687 40.0 171.7 -94.2 136.9 57.0 27.7 59.2 99 107 A G > - 0 0 25 -2,-0.3 4,-2.9 -3,-0.1 3,-0.4 -0.875 51.1 -85.2-139.4 171.2 55.2 30.6 57.7 100 108 A P H > S+ 0 0 39 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.854 124.1 57.1 -45.8 -45.9 52.4 32.8 58.9 101 109 A S H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.926 115.7 36.0 -52.2 -53.4 49.7 30.3 57.8 102 110 A A H > S+ 0 0 16 -3,-0.4 4,-5.0 2,-0.2 5,-0.4 0.874 109.8 63.5 -68.2 -42.0 51.1 27.6 59.9 103 111 A A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.912 110.0 40.4 -48.3 -50.0 52.1 29.9 62.7 104 112 A R H X S+ 0 0 55 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.939 113.9 51.5 -65.6 -50.0 48.5 30.7 63.2 105 113 A K H X S+ 0 0 97 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.933 110.2 50.4 -53.5 -49.4 47.3 27.3 62.7 106 114 A F H X>S+ 0 0 0 -4,-5.0 5,-2.1 1,-0.2 4,-0.9 0.867 111.2 50.2 -58.7 -34.2 49.8 26.0 65.2 107 115 A V H ><5S+ 0 0 6 -4,-1.5 3,-1.2 -5,-0.4 -1,-0.2 0.931 103.8 54.3 -70.9 -44.7 48.8 28.5 67.6 108 116 A D H 3<5S+ 0 0 137 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.4 54.8 -59.4 -25.4 45.2 27.8 67.4 109 117 A E H 3<5S- 0 0 101 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.694 121.7-107.5 -76.1 -24.5 46.2 24.2 68.2 110 118 A G T <<5S+ 0 0 39 -3,-1.2 2,-1.1 -4,-0.9 3,-0.3 0.279 77.5 134.1 108.0 0.6 48.0 25.3 71.4 111 119 A I < + 0 0 6 -5,-2.1 -1,-0.3 1,-0.2 -2,-0.2 -0.710 16.7 141.0 -81.3 100.7 51.5 24.7 69.9 112 120 A K + 0 0 73 -2,-1.1 -1,-0.2 -3,-0.1 2,-0.2 0.647 48.2 58.9-116.3 -28.0 53.2 27.8 71.0 113 121 A T S > S- 0 0 63 -3,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.479 81.2-112.4-106.9 175.3 56.6 26.8 72.0 114 122 A L H > S+ 0 0 32 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.975 124.7 46.3 -60.8 -53.6 59.7 25.2 70.8 115 123 A E H >> S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.882 106.8 59.9 -54.5 -45.9 58.9 22.3 73.1 116 124 A D H 3> S+ 0 0 37 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.942 103.3 51.3 -49.4 -53.1 55.3 22.4 71.9 117 125 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.759 109.1 52.0 -57.1 -28.1 56.5 21.7 68.4 118 126 A R H X< S+ 0 0 123 -3,-1.2 3,-2.2 -4,-1.0 -1,-0.2 0.973 101.0 56.4 -72.0 -52.5 58.5 18.8 69.6 119 127 A K H 3< S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.710 118.4 39.1 -47.0 -28.0 55.9 17.0 71.5 120 128 A N T >< + 0 0 39 -4,-1.1 3,-1.6 -5,-0.3 4,-0.5 -0.249 63.1 143.0-124.7 45.8 54.0 17.1 68.2 121 129 A E T < S+ 0 0 97 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.522 72.4 68.2 -58.8 -9.1 56.7 16.5 65.6 122 130 A D T 3 S+ 0 0 123 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.820 91.2 56.1 -77.1 -37.8 53.9 14.5 63.8 123 131 A K S < S+ 0 0 86 -3,-1.6 2,-0.2 -6,-0.1 -1,-0.2 0.624 100.2 87.0 -67.8 -18.1 51.9 17.6 63.1 124 132 A L S S- 0 0 5 -4,-0.5 2,-0.1 -7,-0.2 -3,-0.0 -0.609 73.6-133.7 -91.1 145.1 55.1 18.8 61.4 125 133 A N > - 0 0 85 -2,-0.2 4,-2.1 -28,-0.1 5,-0.1 -0.433 36.3 -98.9 -89.2 166.8 56.3 18.2 57.7 126 134 A H H > S+ 0 0 114 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.892 124.5 53.3 -55.4 -41.5 59.8 17.1 56.8 127 135 A H H >> S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 3,-0.9 0.981 116.8 38.2 -52.1 -63.8 60.8 20.7 55.9 128 136 A Q H 3> S+ 0 0 12 1,-0.3 4,-2.3 -31,-0.3 -1,-0.2 0.659 111.8 61.2 -55.0 -29.0 59.6 21.9 59.3 129 137 A R H 3X S+ 0 0 93 -4,-2.1 4,-1.5 2,-0.2 -1,-0.3 0.911 110.0 39.2 -66.8 -44.3 61.0 18.7 60.9 130 138 A I H < S+ 0 0 8 -4,-2.3 3,-0.9 1,-0.2 -1,-0.3 0.864 108.9 50.7 -59.6 -41.6 62.9 21.9 64.0 133 141 A K H 3< S+ 0 0 132 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.948 116.6 36.2 -63.1 -52.7 66.0 19.9 64.4 134 142 A Y T 3X S+ 0 0 17 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 -0.082 72.8 130.9 -98.1 32.8 68.5 22.6 63.4 135 143 A F H X> S+ 0 0 23 -3,-0.9 4,-1.5 2,-0.2 3,-0.6 0.909 77.6 41.9 -46.9 -59.7 66.8 25.5 64.9 136 144 A G H >> S+ 0 0 40 -3,-0.3 4,-1.4 1,-0.3 3,-0.9 0.960 118.3 45.0 -54.0 -63.9 70.0 26.8 66.8 137 145 A D H 34 S+ 0 0 33 1,-0.3 109,-0.3 2,-0.2 -1,-0.3 0.651 109.8 58.5 -58.2 -14.0 72.4 26.1 63.8 138 146 A F H << S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.884 106.9 43.7 -84.8 -33.4 70.0 27.6 61.5 139 147 A E H << S+ 0 0 94 -4,-1.5 -2,-0.2 -3,-0.9 -1,-0.1 0.740 96.7 98.8 -77.1 -25.1 69.9 30.9 63.2 140 148 A K S < S- 0 0 115 -4,-1.4 2,-0.0 -5,-0.1 0, 0.0 -0.333 75.1-116.1 -68.1 141.6 73.7 31.0 63.6 141 149 A R - 0 0 133 -2,-0.1 40,-0.2 1,-0.0 -1,-0.1 -0.233 21.1-119.9 -73.9 163.1 75.9 32.9 61.3 142 150 A I E -A 180 0A 0 38,-3.8 38,-3.9 40,-0.0 2,-0.2 -0.966 20.6-136.9-117.1 110.0 78.5 31.3 58.9 143 151 A P E >> -A 179 0A 38 0, 0.0 3,-2.6 0, 0.0 4,-1.1 -0.509 13.7-133.0 -66.6 131.0 82.2 32.5 59.4 144 152 A R H 3> S+ 0 0 70 34,-1.2 4,-4.2 1,-0.3 5,-0.2 0.773 109.7 71.3 -49.3 -39.7 83.9 33.1 56.0 145 153 A E H 3> S+ 0 0 115 33,-0.3 4,-0.9 1,-0.3 -1,-0.3 0.811 107.8 34.7 -44.5 -40.9 86.6 31.1 57.6 146 154 A E H <> S+ 0 0 28 -3,-2.6 4,-4.2 2,-0.2 -1,-0.3 0.751 110.5 62.4 -81.8 -36.9 84.0 28.2 57.0 147 155 A M H X S+ 0 0 1 -4,-1.1 4,-3.0 1,-0.2 -2,-0.2 0.887 105.0 51.3 -55.5 -43.5 82.7 29.7 53.8 148 156 A L H X S+ 0 0 76 -4,-4.2 4,-1.7 2,-0.2 -1,-0.2 0.915 113.6 39.7 -59.5 -53.7 86.2 29.2 52.6 149 157 A Q H X S+ 0 0 61 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.877 118.2 49.9 -66.9 -40.3 86.4 25.5 53.6 150 158 A M H X S+ 0 0 3 -4,-4.2 4,-2.6 1,-0.2 -2,-0.2 0.974 109.6 48.9 -59.8 -57.2 82.9 24.9 52.5 151 159 A Q H X S+ 0 0 58 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.846 109.2 57.3 -47.8 -44.0 83.4 26.5 49.1 152 160 A D H X S+ 0 0 89 -4,-1.7 4,-2.2 1,-0.2 3,-0.5 0.974 108.1 43.0 -55.1 -61.2 86.6 24.4 48.7 153 161 A I H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.3 5,-0.3 0.898 112.5 54.0 -52.5 -45.8 84.9 21.0 49.1 154 162 A V H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.852 107.4 48.8 -59.8 -38.7 82.1 21.9 47.0 155 163 A L H X S+ 0 0 53 -4,-1.9 4,-2.0 -3,-0.5 -1,-0.2 0.870 108.2 60.0 -66.9 -38.0 84.2 22.9 44.1 156 164 A N H X S+ 0 0 69 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.920 108.7 36.3 -57.2 -55.8 86.0 19.7 44.6 157 165 A E H X S+ 0 0 19 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.955 111.3 62.2 -66.6 -41.2 83.3 17.3 44.0 158 166 A V H X S+ 0 0 11 -4,-1.7 4,-1.6 1,-0.3 7,-0.2 0.828 112.8 39.3 -40.9 -47.7 81.7 19.5 41.3 159 167 A K H < S+ 0 0 134 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.850 110.3 58.9 -70.6 -47.5 84.9 19.0 39.5 160 168 A K H < S+ 0 0 136 -4,-2.9 -2,-0.2 -5,-0.2 3,-0.2 0.900 108.4 43.9 -51.9 -50.6 85.3 15.4 40.4 161 169 A V H < S- 0 0 57 -4,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.972 137.7 -4.9 -59.8 -60.1 81.9 14.3 38.8 162 170 A D < - 0 0 46 -4,-1.6 3,-0.5 -5,-0.3 -1,-0.3 -0.995 54.5-153.4-138.7 141.1 82.4 16.3 35.7 163 171 A S S S+ 0 0 84 -2,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.490 92.2 72.9 -90.0 -6.7 85.2 18.7 34.9 164 172 A E S S+ 0 0 115 -6,-0.1 -1,-0.2 -5,-0.1 27,-0.1 0.382 77.6 109.0 -84.3 -5.2 82.9 20.7 32.5 165 173 A Y - 0 0 21 -3,-0.5 2,-0.4 -7,-0.2 24,-0.2 -0.360 52.1-158.7 -75.9 155.8 81.0 22.1 35.5 166 174 A I E +B 188 0B 54 22,-1.5 22,-2.0 -2,-0.1 2,-0.4 -0.945 14.0 177.2-139.1 112.8 81.0 25.8 36.7 167 175 A A E -B 187 0B 21 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.937 6.4-175.2-123.9 142.0 80.1 26.6 40.2 168 176 A T E -B 186 0B 30 18,-2.2 18,-3.2 -2,-0.4 2,-1.0 -0.994 22.5-140.4-136.0 138.7 80.1 29.8 41.8 169 177 A V E -B 185 0B 5 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.860 34.9-174.2-104.8 98.9 79.3 30.7 45.3 170 178 A C E +B 184 0B 3 14,-1.5 14,-0.6 -2,-1.0 3,-0.4 0.092 33.3 60.3 -76.5-176.8 77.4 33.9 45.1 171 179 A G S >> S- 0 0 19 1,-0.2 4,-1.2 2,-0.1 3,-1.2 -0.336 108.4 -30.3 87.1-168.4 76.0 36.4 47.8 172 180 A S T 34>S+ 0 0 31 1,-0.3 5,-2.0 2,-0.2 -1,-0.2 0.776 132.0 65.3 -52.8 -32.4 77.9 38.4 50.4 173 181 A F T >45S+ 0 0 10 -3,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.892 103.3 45.4 -55.4 -44.3 80.5 35.7 50.6 174 182 A R T <45S+ 0 0 50 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.728 109.2 58.1 -67.2 -34.1 81.5 36.5 47.1 175 183 A R T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 150,-0.1 -2,-0.2 0.136 126.3 -97.9 -88.0 15.7 81.3 40.1 48.0 176 184 A G T < 5 + 0 0 35 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.128 59.7 175.2 88.3 -12.8 84.0 39.7 50.9 177 185 A A < - 0 0 26 -5,-2.0 -1,-0.2 1,-0.2 -33,-0.1 0.120 34.8-140.0 -29.2 123.5 81.5 39.4 53.8 178 186 A E S S+ 0 0 150 1,-0.2 -34,-1.2 -35,-0.1 2,-0.3 0.638 89.0 9.2 -62.9 -16.5 83.1 38.6 57.2 179 187 A S E -A 143 0A 44 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.959 66.8-163.4-165.4 145.7 80.1 36.3 57.7 180 188 A S E -A 142 0A 3 -38,-3.9 -38,-3.8 -2,-0.3 3,-0.1 -0.784 21.5-137.1-127.1 170.1 77.2 34.8 55.8 181 189 A G S S- 0 0 32 1,-0.3 2,-0.3 -2,-0.3 65,-0.3 0.634 82.8 -11.2-101.6 -17.1 73.9 33.2 56.7 182 190 A D S S- 0 0 75 -40,-0.1 2,-0.4 63,-0.1 -1,-0.3 -0.886 73.0-101.0-176.9 144.8 73.9 30.3 54.1 183 191 A M E - c 0 247B 2 63,-1.3 65,-1.9 -2,-0.3 2,-0.7 -0.636 25.9-160.2 -87.7 135.5 75.8 29.3 51.1 184 192 A D E -Bc 170 248B 25 -14,-0.6 -14,-1.5 -2,-0.4 2,-0.8 -0.850 5.5-165.6-111.7 98.4 74.4 29.9 47.7 185 193 A V E -Bc 169 249B 2 63,-2.8 65,-1.7 -2,-0.7 2,-0.3 -0.696 4.5-158.0 -91.9 107.1 75.9 27.8 44.9 186 194 A L E -Bc 168 250B 5 -18,-3.2 -18,-2.2 -2,-0.8 2,-0.5 -0.575 19.8-166.3 -76.7 132.3 75.1 29.0 41.4 187 195 A L E +Bc 167 251B 1 63,-1.5 65,-1.2 -2,-0.3 2,-0.3 -0.946 17.1 155.1-137.1 138.9 75.5 26.2 38.9 188 196 A T E -Bc 166 252B 0 -22,-2.0 -22,-1.5 -2,-0.5 5,-0.1 -0.898 16.3-161.4-143.9 173.1 75.7 25.7 35.2 189 197 A H E > - 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