==== 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 8ICG . 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) . 18145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 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 . 17 5.2 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 . 124 37.9 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 2 3 0 0 1 2 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 . 2 1 0 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 . 1 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 0 218 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -20.3 67.2 58.0 56.8 2 10 A T + 0 0 128 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.202 360.0 75.6-161.6 -25.3 67.2 59.2 60.4 3 11 A L S S+ 0 0 55 1,-0.2 42,-0.4 36,-0.1 36,-0.0 0.671 117.3 16.6 -75.6 -14.2 65.1 62.3 60.3 4 12 A N S > S+ 0 0 10 40,-0.1 4,-1.8 35,-0.1 3,-0.3 0.434 89.9 116.9-140.4 9.8 62.0 60.3 60.0 5 13 A G H > S+ 0 0 14 2,-0.2 4,-6.0 1,-0.2 5,-0.4 0.807 72.6 53.6 -41.5 -60.6 63.0 56.8 61.1 6 14 A G H > S+ 0 0 37 -4,-0.3 4,-3.8 1,-0.3 5,-0.3 0.927 112.4 49.0 -47.4 -48.2 60.8 56.3 64.3 7 15 A I H > S+ 0 0 8 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.918 117.6 39.0 -57.0 -48.8 57.8 57.2 62.1 8 16 A T H X S+ 0 0 19 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.927 117.9 48.6 -67.6 -50.2 58.9 54.8 59.5 9 17 A D H X S+ 0 0 96 -4,-6.0 4,-1.8 1,-0.2 -2,-0.2 0.882 111.6 48.6 -61.2 -34.1 60.0 52.2 62.0 10 18 A M H X S+ 0 0 6 -4,-3.8 4,-2.3 -5,-0.4 -1,-0.2 0.960 111.8 52.3 -66.0 -43.9 56.8 52.4 63.9 11 19 A L H X S+ 0 0 1 -4,-1.9 4,-3.4 -5,-0.3 -2,-0.2 0.856 109.7 46.4 -53.2 -49.3 55.0 52.2 60.7 12 20 A T H X S+ 0 0 56 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.851 109.4 56.4 -67.1 -33.2 56.8 49.1 59.6 13 21 A E H X S+ 0 0 99 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.976 113.4 41.2 -56.3 -53.6 56.2 47.7 63.1 14 22 A L H >X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 3,-0.6 0.923 114.9 50.9 -54.9 -58.2 52.5 48.2 62.5 15 23 A A H >X S+ 0 0 3 -4,-3.4 4,-1.8 1,-0.3 3,-0.8 0.949 107.7 51.0 -48.4 -63.5 52.6 47.0 58.9 16 24 A N H 3X S+ 0 0 87 -4,-2.5 4,-1.6 1,-0.3 5,-0.3 0.730 106.0 58.7 -51.3 -28.5 54.3 43.8 59.6 17 25 A F H S+ 0 0 37 -4,-1.0 4,-1.7 -3,-0.6 5,-1.3 0.936 103.3 48.6 -71.0 -42.6 51.8 43.1 62.2 18 26 A E H <<5S+ 0 0 5 -4,-1.7 6,-2.3 -3,-0.8 -2,-0.2 0.887 111.1 51.4 -60.9 -40.5 48.9 43.3 60.0 19 27 A K H <5S+ 0 0 85 -4,-1.8 -1,-0.2 4,-0.2 -2,-0.2 0.952 122.0 28.8 -60.7 -52.6 50.5 41.0 57.5 20 28 A N H <5S+ 0 0 25 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.961 128.2 28.0 -78.1 -65.0 51.4 38.3 60.1 21 29 A V T <5S+ 0 0 32 -4,-1.7 -3,-0.2 -5,-0.3 2,-0.1 0.954 128.8 34.5 -68.7 -50.2 49.1 38.2 63.0 22 30 A S S + 0 0 22 -6,-2.3 4,-3.1 -2,-0.3 5,-0.3 -0.638 19.0 168.8-117.9 73.1 45.3 42.2 56.4 25 33 A I H > S+ 0 0 96 -2,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.868 79.6 52.0 -43.8 -47.7 47.3 42.4 53.3 26 34 A H H > S+ 0 0 147 2,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.948 111.3 40.9 -57.2 -63.3 45.7 45.8 52.6 27 35 A K H > S+ 0 0 111 1,-0.3 4,-2.4 2,-0.3 5,-0.3 0.927 117.9 51.1 -54.2 -46.7 46.3 47.6 55.9 28 36 A Y H X S+ 0 0 31 -4,-3.1 4,-1.2 1,-0.3 -1,-0.3 0.898 109.5 47.7 -57.5 -40.7 49.6 46.0 55.8 29 37 A N H X S+ 0 0 79 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.3 0.766 109.4 58.1 -71.4 -23.9 50.1 47.3 52.3 30 38 A A H >X S+ 0 0 29 -4,-2.0 4,-2.2 2,-0.2 3,-0.8 0.993 104.0 48.1 -63.3 -63.0 48.9 50.7 53.7 31 39 A Y H 3X S+ 0 0 10 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.704 110.8 54.1 -46.5 -36.2 51.6 51.0 56.3 32 40 A R H 3X S+ 0 0 140 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.3 0.845 107.8 44.3 -76.8 -38.7 54.2 50.1 53.8 33 41 A K H XX S+ 0 0 73 -4,-1.5 4,-2.7 -3,-0.8 3,-0.6 0.979 117.1 47.7 -66.6 -50.6 53.4 52.7 51.2 34 42 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 5,-0.3 0.839 110.3 51.1 -50.0 -46.8 53.1 55.4 53.9 35 43 A A H 3X S+ 0 0 9 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.3 0.840 111.4 52.4 -64.6 -31.8 56.3 54.3 55.5 36 44 A S H X S+ 0 0 30 -4,-2.7 3,-3.5 2,-0.2 4,-1.7 0.992 114.0 50.6 -64.2 -61.3 56.8 58.0 51.3 38 46 A I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.798 108.1 58.2 -42.8 -37.6 57.3 59.6 54.7 39 47 A A H 3< S+ 0 0 44 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.739 105.9 48.0 -61.6 -32.6 60.7 58.0 54.4 40 48 A K H << S+ 0 0 168 -3,-3.5 -2,-0.2 -4,-0.7 -1,-0.2 0.898 85.4 114.2 -73.2 -48.6 61.3 60.0 51.3 41 49 A Y < - 0 0 49 -4,-1.7 4,-0.1 1,-0.2 -38,-0.1 -0.021 60.9-145.1 -39.3 118.7 60.1 63.2 52.8 42 50 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.064 72.8 54.1 -70.6 6.3 62.9 65.8 53.1 43 51 A H S S- 0 0 106 -39,-0.0 2,-0.5 -40,-0.0 -40,-0.0 -0.816 92.5 -83.5-139.1-179.9 61.9 67.4 56.3 44 52 A K - 0 0 109 -2,-0.3 2,-0.6 1,-0.0 -40,-0.1 -0.698 41.1-126.8 -86.9 125.9 61.0 66.6 59.8 45 53 A I + 0 0 7 -2,-0.5 3,-0.1 -42,-0.4 -38,-0.1 -0.535 32.6 174.3 -73.4 125.4 57.5 65.5 60.3 46 54 A K + 0 0 151 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.678 57.5 1.7-103.4 -14.8 56.1 67.7 62.9 47 55 A S S > S- 0 0 42 1,-0.2 4,-2.4 22,-0.0 -1,-0.3 -0.992 70.2-101.5-163.8 165.2 52.5 66.6 63.0 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.7 1,-0.2 3,-0.3 0.959 118.4 53.9 -53.2 -56.8 49.9 64.3 61.6 49 57 A A H > S+ 0 0 67 1,-0.3 4,-1.1 2,-0.3 -1,-0.2 0.819 108.8 47.1 -44.1 -49.5 48.5 67.0 59.4 50 58 A E H 4 S+ 0 0 42 2,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.893 117.3 44.6 -63.2 -41.3 51.8 67.7 57.8 51 59 A A H >< S+ 0 0 0 -4,-2.4 3,-2.7 -3,-0.3 -2,-0.3 0.965 105.5 62.2 -59.9 -57.1 52.3 64.1 57.4 52 60 A K H 3< S+ 0 0 93 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.626 83.4 76.9 -39.9 -34.4 48.8 63.6 56.1 53 61 A K T 3< S+ 0 0 160 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.780 83.2 104.7 -54.1 -26.1 49.5 65.9 53.1 54 62 A L S < S- 0 0 39 -3,-2.7 2,-0.7 -4,-0.2 3,-0.2 -0.054 85.2-106.7 -62.7 155.4 51.2 62.9 52.0 55 63 A P S S+ 0 0 86 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.747 109.9 14.0 -84.6 117.4 50.1 60.4 49.4 56 64 A G S S+ 0 0 34 -2,-0.7 2,-1.2 1,-0.2 -22,-0.2 0.052 99.0 114.3 101.6 -21.1 49.1 57.3 51.2 57 65 A V + 0 0 5 -3,-0.2 -1,-0.2 -6,-0.2 2,-0.1 -0.649 44.3 170.7 -86.6 101.4 49.0 59.1 54.4 58 66 A G > - 0 0 26 -2,-1.2 4,-1.9 -3,-0.1 5,-0.2 -0.222 52.2 -83.8 -95.6-166.4 45.5 59.1 55.5 59 67 A T H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.804 122.1 60.2 -65.8 -35.1 43.7 60.0 58.6 60 68 A K H > S+ 0 0 143 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.929 111.9 34.2 -57.5 -55.7 44.4 56.6 60.1 61 69 A I H >> S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 3,-0.8 0.868 113.3 59.2 -66.6 -48.5 48.2 56.7 60.0 62 70 A A H 3X S+ 0 0 9 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.904 102.0 57.8 -48.3 -45.5 48.4 60.5 60.8 63 71 A E H 3X S+ 0 0 129 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.868 106.3 46.0 -55.7 -41.4 46.6 59.7 63.9 64 72 A K H - 0 0 5 -2,-0.3 4,-1.8 1,-0.2 5,-0.0 -0.982 9.5-144.2-138.8 146.8 52.1 54.1 70.8 75 83 A R H > S+ 0 0 158 -2,-0.3 4,-3.6 2,-0.2 5,-0.2 0.984 100.4 50.0 -78.7 -53.5 49.5 52.0 72.5 76 84 A K H > S+ 0 0 78 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.835 115.6 46.6 -48.1 -37.4 48.5 49.6 69.7 77 85 A L H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.967 114.2 46.7 -70.2 -48.7 52.2 49.0 69.4 78 86 A E H X S+ 0 0 81 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.808 113.2 49.1 -59.0 -37.2 52.5 48.6 73.1 79 87 A K H X S+ 0 0 124 -4,-3.6 4,-2.9 2,-0.2 3,-0.3 0.945 114.1 45.4 -65.4 -53.0 49.5 46.3 73.3 80 88 A I H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.741 108.5 56.4 -58.1 -37.9 50.8 44.0 70.3 81 89 A R H < S+ 0 0 184 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.775 114.1 41.7 -68.3 -32.5 54.3 43.9 71.7 82 90 A Q H < S+ 0 0 146 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.985 88.2 107.7 -76.4 -68.6 52.8 42.5 74.8 83 91 A D X - 0 0 65 -4,-2.9 4,-2.6 1,-0.1 5,-0.2 0.313 56.0-155.0 -20.0 109.7 50.3 40.1 73.2 84 92 A D H > S+ 0 0 100 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.936 90.2 51.7 -57.8 -55.0 51.3 36.6 73.7 85 93 A T H > S+ 0 0 48 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.938 114.4 42.5 -48.9 -56.3 49.5 35.3 70.7 86 94 A S H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.906 113.5 52.4 -61.4 -37.3 51.0 37.7 68.4 87 95 A S H X S+ 0 0 51 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.893 107.0 57.1 -61.0 -38.3 54.4 37.3 70.1 88 96 A S H >X S+ 0 0 15 -4,-3.1 4,-2.3 1,-0.2 3,-0.5 0.911 103.0 50.2 -57.7 -49.1 54.0 33.7 69.5 89 97 A I H 3X S+ 0 0 4 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.758 104.5 57.8 -62.9 -32.5 53.5 33.9 65.7 90 98 A N H 3< S+ 0 0 72 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.770 112.7 42.7 -68.3 -29.6 56.6 36.1 65.3 91 99 A F H X< S+ 0 0 67 -4,-1.0 3,-2.6 -3,-0.5 4,-0.3 0.903 108.7 50.8 -80.4 -56.5 58.6 33.3 66.8 92 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -3,-0.1 0.868 101.3 68.8 -53.5 -35.0 57.3 30.1 65.3 93 101 A T T 3< S+ 0 0 44 -4,-1.0 5,-0.3 -5,-0.3 -1,-0.3 0.728 85.1 69.5 -56.4 -25.4 57.8 31.8 62.1 94 102 A R T < S+ 0 0 114 -3,-2.6 2,-0.4 2,-0.1 -1,-0.3 0.660 76.0 96.5 -70.1 -18.8 61.6 31.6 62.7 95 103 A V S X S- 0 0 1 -3,-2.2 3,-2.2 -4,-0.3 2,-0.1 -0.597 92.0-108.4 -73.6 128.8 61.5 28.0 62.2 96 104 A S T 3 S+ 0 0 45 -2,-0.4 35,-0.3 35,-0.3 36,-0.2 -0.423 106.8 27.1 -63.1 131.5 62.5 27.3 58.7 97 105 A G T 3 S+ 0 0 29 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.358 95.9 117.7 98.0 1.3 59.5 26.1 56.8 98 106 A I < + 0 0 11 -3,-2.2 -1,-0.2 -5,-0.3 -3,-0.0 -0.890 38.2 175.8-108.4 115.4 57.2 28.0 59.1 99 107 A G > - 0 0 29 -2,-0.7 4,-2.3 -3,-0.1 -4,-0.1 -0.225 46.1 -98.3 -96.9-170.9 55.2 30.7 57.6 100 108 A P H > S+ 0 0 38 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.731 122.5 58.4 -79.7 -31.2 52.5 32.9 59.2 101 109 A S H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.927 115.2 35.8 -63.3 -47.2 49.8 30.8 57.8 102 110 A A H > S+ 0 0 17 2,-0.2 4,-4.3 1,-0.2 5,-0.3 0.924 111.5 61.5 -70.9 -44.3 51.3 27.9 59.6 103 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.877 110.5 40.7 -49.9 -43.7 52.3 30.0 62.6 104 112 A R H X S+ 0 0 51 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.960 113.9 52.5 -71.5 -48.3 48.7 30.9 63.3 105 113 A K H X S+ 0 0 101 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.906 111.3 47.6 -53.0 -43.8 47.5 27.4 62.5 106 114 A F H <>S+ 0 0 0 -4,-4.3 5,-3.8 1,-0.2 4,-0.4 0.877 112.4 49.0 -63.9 -38.6 50.0 26.1 65.0 107 115 A V H <5S+ 0 0 3 -4,-1.5 3,-0.2 -5,-0.3 -1,-0.2 0.888 106.4 54.6 -65.6 -46.3 49.1 28.5 67.6 108 116 A D H <5S+ 0 0 130 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.905 106.9 50.6 -58.7 -38.4 45.5 27.9 67.4 109 117 A E T <5S- 0 0 107 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.725 130.5-105.7 -69.4 -20.2 46.2 24.4 67.9 110 118 A G T 5S+ 0 0 36 -4,-0.4 2,-1.1 -3,-0.2 -3,-0.3 0.656 73.7 140.0 104.4 19.1 48.1 25.7 70.8 111 119 A I < + 0 0 7 -5,-3.8 -1,-0.2 1,-0.2 -2,-0.1 -0.739 14.7 137.3 -94.2 99.5 51.7 25.2 69.7 112 120 A K + 0 0 74 -2,-1.1 -1,-0.2 -5,-0.1 -20,-0.1 0.851 50.6 61.2-108.2 -46.6 53.4 28.3 70.9 113 121 A T S > S- 0 0 66 -3,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.347 82.6-117.1 -80.8 157.9 56.7 27.2 72.3 114 122 A L H > S+ 0 0 28 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.895 119.1 53.7 -60.8 -40.1 59.5 25.5 70.5 115 123 A E H > S+ 0 0 122 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.881 99.5 63.1 -62.6 -36.4 59.1 22.5 72.7 116 124 A D H > S+ 0 0 42 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.912 101.8 52.3 -53.0 -43.4 55.5 22.5 71.7 117 125 A L H >< S+ 0 0 1 -4,-1.6 3,-1.2 1,-0.2 -1,-0.3 0.952 107.9 49.8 -60.2 -49.3 56.7 21.9 68.3 118 126 A R H >< S+ 0 0 120 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.908 102.9 58.6 -56.9 -43.5 58.8 19.0 69.5 119 127 A K H 3< S+ 0 0 166 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.762 118.9 34.4 -56.4 -25.2 56.1 17.3 71.3 120 128 A N T X< + 0 0 41 -3,-1.2 3,-2.1 -4,-1.0 -1,-0.3 -0.304 65.2 148.1-125.3 46.3 54.3 17.3 68.0 121 129 A E G X S+ 0 0 100 -3,-1.6 3,-0.5 1,-0.3 -1,-0.1 0.608 71.7 68.9 -56.9 -11.6 57.0 16.8 65.5 122 130 A D G 3 S+ 0 0 112 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.708 86.5 61.0 -75.9 -31.4 54.3 14.9 63.6 123 131 A K G < S+ 0 0 82 -3,-2.1 2,-0.3 -6,-0.2 -1,-0.2 0.419 98.7 79.6 -77.5 0.5 52.2 17.9 62.8 124 132 A L S < S- 0 0 6 -3,-0.5 2,-0.2 -4,-0.3 0, 0.0 -0.817 76.4-131.2-110.7 149.6 55.3 19.2 61.0 125 133 A N > - 0 0 90 -2,-0.3 4,-2.5 -28,-0.1 5,-0.3 -0.662 39.0 -90.5 -97.3 160.4 56.5 18.2 57.5 126 134 A H H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.743 126.0 49.3 -32.3 -52.6 60.1 17.2 56.5 127 135 A H H >> S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.981 116.2 40.9 -53.4 -65.5 61.1 20.8 55.8 128 136 A Q H 3> S+ 0 0 17 1,-0.3 4,-2.4 -31,-0.2 -1,-0.2 0.784 112.9 57.7 -50.7 -36.4 59.7 22.2 59.0 129 137 A R H 3X S+ 0 0 109 -4,-2.5 4,-2.9 1,-0.2 -1,-0.3 0.856 109.9 41.3 -64.8 -41.1 61.1 19.1 60.8 130 138 A I H < S+ 0 0 10 -4,-2.4 3,-1.8 2,-0.2 4,-0.3 0.910 110.9 62.2 -69.1 -49.0 63.2 22.5 64.0 133 141 A K H 3< S+ 0 0 115 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.854 118.8 26.0 -47.4 -45.6 66.0 19.9 63.9 134 142 A Y T 3X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.1 -1,-0.3 0.038 79.7 132.6-110.1 24.8 68.6 22.5 63.2 135 143 A F H <> S+ 0 0 26 -3,-1.8 4,-1.0 1,-0.2 -1,-0.1 0.870 78.2 41.8 -39.7 -57.9 66.9 25.6 64.7 136 144 A G H >> S+ 0 0 38 -4,-0.3 3,-1.1 1,-0.2 4,-1.1 0.967 116.3 49.2 -59.7 -53.6 70.0 26.8 66.7 137 145 A D H 34 S+ 0 0 35 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.860 108.6 54.2 -57.5 -33.1 72.4 26.0 63.8 138 146 A F H 3< S+ 0 0 45 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.683 105.1 52.9 -76.6 -16.1 70.2 27.8 61.2 139 147 A E H << S+ 0 0 97 -3,-1.1 2,-0.2 -4,-1.0 -1,-0.2 0.698 91.0 92.4 -88.9 -21.0 70.1 30.9 63.2 140 148 A K S < S- 0 0 108 -4,-1.1 -4,-0.0 -3,-0.3 0, 0.0 -0.528 78.3-112.4 -80.6 140.2 73.9 31.3 63.6 141 149 A R - 0 0 144 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.067 26.8-115.1 -62.8 161.8 76.1 33.2 61.1 142 150 A I E -A 180 0A 0 38,-4.3 38,-1.3 40,-0.1 2,-0.2 -0.879 22.5-137.1-109.1 110.0 78.7 31.6 58.8 143 151 A P E >> -A 179 0A 34 0, 0.0 3,-1.7 0, 0.0 4,-1.7 -0.421 12.7-133.7 -66.2 132.5 82.3 32.5 59.4 144 152 A R H 3> S+ 0 0 63 34,-2.6 4,-3.0 1,-0.3 5,-0.2 0.818 107.9 70.1 -49.6 -34.1 84.0 33.2 56.1 145 153 A E H 3> S+ 0 0 114 33,-0.4 4,-1.1 1,-0.3 -1,-0.3 0.900 107.2 35.9 -48.7 -48.5 86.7 31.0 57.7 146 154 A E H <> S+ 0 0 28 -3,-1.7 4,-3.9 2,-0.2 -1,-0.3 0.711 109.8 64.7 -74.6 -31.0 84.2 28.1 57.2 147 155 A M H X S+ 0 0 1 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.908 103.3 47.9 -58.9 -45.8 83.0 29.6 53.9 148 156 A L H X S+ 0 0 77 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.884 114.0 45.6 -64.0 -44.2 86.4 29.0 52.5 149 157 A Q H X S+ 0 0 64 -4,-1.1 4,-1.8 -5,-0.2 -2,-0.2 0.935 116.9 45.5 -65.3 -45.0 86.5 25.4 53.8 150 158 A M H X S+ 0 0 2 -4,-3.9 4,-2.2 2,-0.2 3,-0.5 0.966 112.9 48.5 -56.8 -61.8 83.0 24.8 52.6 151 159 A Q H X S+ 0 0 60 -4,-3.2 4,-2.5 1,-0.3 5,-0.3 0.886 108.3 56.1 -43.5 -54.5 83.5 26.4 49.1 152 160 A D H X S+ 0 0 79 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.907 108.0 47.7 -50.7 -46.8 86.7 24.4 48.7 153 161 A I H X S+ 0 0 43 -4,-1.8 4,-1.7 -3,-0.5 -1,-0.2 0.952 110.9 49.4 -64.4 -46.7 84.9 21.2 49.2 154 162 A V H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.831 110.8 50.5 -59.2 -37.0 82.0 21.9 46.9 155 163 A L H X S+ 0 0 51 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.830 105.3 58.8 -69.2 -35.6 84.3 23.0 44.1 156 164 A N H X S+ 0 0 84 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.863 110.2 39.1 -65.2 -38.9 86.3 19.9 44.5 157 165 A E H X S+ 0 0 16 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.977 108.5 60.7 -71.5 -53.4 83.5 17.6 43.9 158 166 A V H X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.3 7,-0.3 0.814 112.9 41.0 -34.8 -49.6 81.9 19.6 41.1 159 167 A K H < S+ 0 0 142 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.890 111.7 54.5 -71.3 -44.4 85.1 19.2 39.3 160 168 A K H < S+ 0 0 134 -4,-1.7 -2,-0.2 -5,-0.2 3,-0.2 0.937 110.3 46.6 -56.5 -47.8 85.5 15.6 40.2 161 169 A V H < S- 0 0 51 -4,-3.2 2,-0.4 1,-0.3 -2,-0.2 0.990 134.9 -3.6 -58.4 -67.0 82.1 14.6 38.9 162 170 A D >< - 0 0 51 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.3 -0.997 57.1-152.0-132.0 136.4 82.3 16.4 35.6 163 171 A S T 3 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.653 94.2 69.7 -77.9 -17.1 85.2 18.6 34.6 164 172 A E T 3 S+ 0 0 116 -6,-0.1 -1,-0.2 -5,-0.1 27,-0.1 0.382 77.3 117.2 -78.8 -0.5 82.9 20.6 32.4 165 173 A Y < - 0 0 19 -3,-0.9 2,-0.5 -7,-0.3 24,-0.2 -0.352 48.4-158.7 -73.5 149.6 81.1 22.1 35.5 166 174 A I E +B 188 0B 52 22,-1.7 22,-1.7 -2,-0.1 2,-0.4 -0.981 16.3 176.6-128.7 119.1 81.0 25.8 36.4 167 175 A A E -B 187 0B 23 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.957 9.7-177.1-129.5 149.7 80.4 26.8 39.9 168 176 A T E -B 186 0B 29 18,-1.4 18,-3.5 -2,-0.4 2,-1.0 -0.981 21.5-146.3-146.8 131.5 80.3 30.0 41.7 169 177 A V E +B 185 0B 5 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.888 35.7 179.9 -98.8 99.6 79.7 30.8 45.2 170 178 A C + 0 0 2 14,-1.6 14,-0.4 -2,-1.0 3,-0.3 0.054 29.8 64.6 -84.9-166.4 77.9 34.0 44.9 171 179 A G S > S- 0 0 17 93,-0.3 4,-0.9 1,-0.2 6,-0.1 -0.453 106.2 -34.2 89.4-158.0 76.5 36.4 47.6 172 180 A S T 4>S+ 0 0 33 2,-0.2 5,-3.3 1,-0.2 -1,-0.2 0.862 133.3 64.2 -68.4 -36.8 78.2 38.4 50.4 173 181 A F T >45S+ 0 0 11 -3,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.882 106.1 42.6 -44.8 -53.7 80.7 35.7 50.6 174 182 A R T 345S+ 0 0 50 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.644 107.2 61.6 -65.6 -32.7 81.8 36.5 47.1 175 183 A R T 3<5S- 0 0 63 -4,-0.9 -1,-0.3 147,-0.1 -2,-0.2 0.196 125.9-104.4 -85.2 12.8 81.5 40.2 48.1 176 184 A G T < 5 + 0 0 36 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.2 0.492 60.2 171.8 75.1 13.4 84.3 39.4 50.6 177 185 A A < - 0 0 32 -5,-3.3 -1,-0.2 1,-0.1 -2,-0.0 -0.333 37.8-135.1 -63.3 131.2 82.0 39.4 53.6 178 186 A E S S+ 0 0 148 -2,-0.1 -34,-2.6 -35,-0.1 -33,-0.4 0.686 87.7 11.2 -49.9 -30.3 83.4 38.3 57.0 179 187 A S E -A 143 0A 47 -36,-0.2 2,-0.3 -35,-0.1 -38,-0.0 -0.937 67.9-168.3-146.9 166.0 80.3 36.2 57.7 180 188 A S E -A 142 0A 2 -38,-1.3 -38,-4.3 -2,-0.3 3,-0.1 -0.948 25.5-127.8-153.2 169.3 77.3 35.0 55.9 181 189 A G S S- 0 0 35 1,-0.4 2,-0.3 -2,-0.3 65,-0.3 0.910 83.5 -15.0 -86.9 -57.9 74.0 33.3 56.4 182 190 A D S S- 0 0 72 63,-0.1 2,-0.4 -40,-0.1 -1,-0.4 -0.990 73.0 -99.2-146.9 154.9 74.0 30.4 54.1 183 191 A M E - c 0 247B 1 63,-1.5 65,-2.4 -2,-0.3 2,-0.5 -0.710 28.6-160.3 -89.3 134.1 76.0 29.3 51.2 184 192 A D E - c 0 248B 30 -14,-0.4 -14,-1.6 -2,-0.4 2,-0.9 -0.920 1.6-165.7-112.0 105.6 74.8 29.9 47.6 185 193 A V E -Bc 169 249B 1 63,-3.5 65,-1.9 -2,-0.5 2,-0.6 -0.771 7.3-156.0-100.7 103.1 76.2 27.8 44.7 186 194 A L E -Bc 168 250B 3 -18,-3.5 -18,-1.4 -2,-0.9 2,-0.3 -0.636 23.8-167.4 -75.5 112.9 75.4 29.3 41.2 187 195 A L E +Bc 167 251B 2 63,-2.5 65,-0.8 -2,-0.6 2,-0.3 -0.812 21.6 142.1-115.9 152.5 75.6 26.4 38.8 188 196 A T E -Bc 166 252B 0 -22,-1.7 -22,-1.7 -2,-0.3 5,-0.1 -0.942 19.4-161.0-161.5 179.8 75.8 25.8 35.1 189 197 A H E > -Dc 192 253B 10 63,-0.8 3,-1.7 3,-0.5 65,-0.9 -0.895 31.2-116.2-172.4 143.1 77.3 23.6 32.5 190 198 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.816 109.9 66.6 -57.1 -37.6 77.8 23.9 28.7 191 199 A S T 3 S+ 0 0 55 1,-0.1 2,-0.4 -27,-0.1 11,-0.1 0.463 102.2 65.3 -67.7 7.7 75.7 21.0 27.8 192 200 A F B < +D 189 0B 15 -3,-1.7 62,-3.6 60,-0.1 -3,-0.5 -0.981 60.0 126.2-140.7 124.4 72.8 23.2 29.2 193 201 A T - 0 0 34 -2,-0.4 5,-0.3 60,-0.4 -5,-0.0 -0.963 69.5 -52.8-163.6 165.7 71.4 26.5 28.0 194 202 A S S S+ 0 0 66 -2,-0.3 4,-0.0 1,-0.2 -2,-0.0 0.504 130.9 18.0 -8.0 -57.2 68.2 28.3 26.9 195 203 A E S S+ 0 0 145 2,-0.1 -1,-0.2 3,-0.0 3,-0.0 0.922 90.3 103.6 -93.1 -56.5 67.1 25.7 24.4 196 204 A S S S- 0 0 42 1,-0.2 2,-2.7 3,-0.0 -3,-0.3 -0.029 85.7-114.9 -35.6 94.4 69.0 22.4 25.1 197 205 A T - 0 0 129 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.045 51.6 -90.1 -41.2 63.1 66.1 20.6 26.7 198 206 A K - 0 0 105 -2,-2.7 -5,-0.0 -5,-0.3 -3,-0.0 0.135 22.4-141.0 60.3-176.4 67.5 20.2 30.1 199 207 A Q > - 0 0 84 25,-0.2 3,-3.5 -7,-0.0 4,-0.5 -0.185 17.2-175.0 172.9 67.0 69.5 17.5 31.7 200 208 A P T >> S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 3,-1.8 0.822 82.6 65.1 -43.5 -43.9 68.1 17.2 35.2 201 209 A K H 3> S+ 0 0 132 1,-0.3 4,-3.7 2,-0.2 5,-0.2 0.745 86.2 74.8 -56.0 -21.9 70.8 14.7 36.1 202 210 A L H <> S+ 0 0 2 -3,-3.5 4,-0.8 2,-0.2 -1,-0.3 0.928 106.6 33.0 -55.1 -44.3 73.1 17.6 35.6 203 211 A L H X> S+ 0 0 0 -3,-1.8 4,-1.5 -4,-0.5 3,-0.7 0.965 119.4 52.3 -72.0 -53.7 71.8 18.9 38.9 204 212 A H H 3X S+ 0 0 44 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.802 98.6 64.8 -49.9 -40.6 71.3 15.5 40.4 205 213 A Q H 3X S+ 0 0 77 -4,-3.7 4,-1.3 1,-0.2 -1,-0.2 0.909 107.2 40.9 -54.5 -48.5 74.9 14.3 39.7 206 214 A V H X S+ 0 0 32 -4,-1.3 4,-1.6 -5,-0.2 3,-0.7 0.983 106.8 46.6 -55.0 -66.6 78.2 13.8 45.0 210 218 A L H 3X>S+ 0 0 3 -4,-2.6 5,-3.2 1,-0.3 6,-2.2 0.671 117.4 46.5 -50.8 -22.5 78.1 16.2 47.9 211 219 A Q H 3<5S+ 0 0 76 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.877 105.7 59.9 -84.2 -41.2 76.0 13.8 49.8 212 220 A K H <<5S+ 0 0 144 -4,-3.0 -2,-0.2 -3,-0.7 -3,-0.2 0.953 112.1 37.5 -45.8 -75.9 78.2 10.9 48.9 213 221 A V H <5S- 0 0 57 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.663 121.1-113.0 -48.9 -29.0 81.1 12.5 50.6 214 222 A H T <5S+ 0 0 142 -4,-0.6 -3,-0.2 -5,-0.3 -2,-0.1 0.721 82.5 120.0 98.1 30.5 78.7 13.7 53.3 215 223 A F S -c 189 0B 17 0, 0.0 3,-3.1 0, 0.0 -60,-0.4 -0.578 34.7-128.0 -69.6 124.2 71.8 27.5 31.3 254 262 A K G > S+ 0 0 60 -62,-3.6 3,-0.7 -65,-0.9 4,-0.2 0.716 107.4 67.3 -49.7 -20.2 75.4 28.5 30.5 255 263 A D G 3 S+ 0 0 78 -63,-0.3 -1,-0.3 1,-0.2 50,-0.2 0.411 105.0 41.6 -86.7 10.7 73.9 31.2 28.4 256 264 A Q G <> S+ 0 0 44 -3,-3.1 4,-1.6 33,-0.1 -1,-0.2 0.256 83.4 105.7-137.6 14.7 72.7 32.9 31.4 257 265 A Y H X> S+ 0 0 4 -3,-0.7 4,-3.0 -4,-0.2 3,-1.7 0.964 75.5 43.6 -56.7 -94.6 75.4 32.6 34.0 258 266 A Y H 3> S+ 0 0 35 1,-0.3 4,-1.5 2,-0.3 -1,-0.2 0.608 113.4 56.7 -29.1 -32.2 77.2 36.0 34.5 259 267 A C H 3> S+ 0 0 8 29,-0.3 4,-3.8 2,-0.2 -1,-0.3 0.979 115.0 34.7 -68.1 -56.1 73.9 37.7 34.5 260 268 A G H X S+ 0 0 7 -4,-1.5 4,-0.8 -5,-0.5 3,-0.7 0.991 115.6 42.1 -66.7 -61.5 76.0 39.3 38.3 263 271 A Y H >< S+ 0 0 66 -4,-3.8 3,-0.7 1,-0.2 -2,-0.2 0.809 111.3 50.1 -51.4 -48.8 72.8 39.6 39.9 264 272 A F H 3< S+ 0 0 64 -4,-4.0 -93,-0.3 1,-0.3 -1,-0.2 0.744 105.3 60.8 -69.0 -24.1 73.2 37.1 42.9 265 273 A T H << S+ 0 0 1 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.755 90.4 135.5 -75.4 -24.6 76.4 38.6 43.8 266 274 A G << - 0 0 5 -4,-0.8 2,-0.2 -3,-0.7 -1,-0.2 -0.240 62.4-142.2 61.2-147.9 74.7 42.0 44.4 267 275 A S > - 0 0 4 59,-0.2 4,-1.9 -3,-0.1 5,-0.2 0.588 37.8-120.3 -68.9 178.7 74.8 44.1 46.5 268 276 A D H > S+ 0 0 131 1,-0.2 4,-1.3 -2,-0.2 -2,-0.1 0.894 114.1 36.5 -53.4 -41.5 71.1 45.0 46.6 269 277 A I H > S+ 0 0 78 57,-0.3 4,-3.2 2,-0.2 5,-0.3 0.914 108.7 60.4 -74.9 -49.8 72.1 48.5 45.6 270 278 A F H > S+ 0 0 0 55,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.810 107.8 50.1 -48.0 -34.8 75.0 47.8 43.3 271 279 A N H X S+ 0 0 7 -4,-1.9 4,-3.5 2,-0.2 -1,-0.2 0.983 110.1 45.6 -67.4 -61.7 72.6 46.0 41.2 272 280 A K H X S+ 0 0 152 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.934 118.5 44.7 -47.9 -56.0 69.9 48.6 41.0 273 281 A N H X S+ 0 0 92 -4,-3.2 4,-2.5 2,-0.3 3,-0.3 0.956 115.0 45.8 -56.5 -54.6 72.4 51.2 40.3 274 282 A M H X S+ 0 0 3 -4,-2.9 4,-1.3 -5,-0.3 -1,-0.3 0.835 115.7 51.7 -55.7 -30.1 74.2 49.0 37.8 275 283 A R H X S+ 0 0 66 -4,-3.5 4,-0.7 2,-0.2 -2,-0.3 0.827 107.8 47.6 -70.8 -41.4 70.7 48.4 36.5 276 284 A A H X S+ 0 0 52 -4,-2.9 4,-0.8 -3,-0.3 3,-0.3 0.819 109.1 58.7 -70.4 -32.8 69.7 52.1 36.3 277 285 A H H >X S+ 0 0 40 -4,-2.5 4,-2.4 -5,-0.3 3,-0.9 0.899 97.4 55.5 -64.8 -42.9 72.9 52.6 34.5 278 286 A A H 3<>S+ 0 0 0 -4,-1.3 5,-2.1 1,-0.2 -1,-0.2 0.790 101.9 63.0 -57.8 -30.9 72.3 50.1 31.7 279 287 A L H 3<5S+ 0 0 74 -4,-0.7 3,-0.3 -3,-0.3 -1,-0.2 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