==== 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 24-OCT-96 9ICY . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*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) . 18011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.6 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 . 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 . 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 . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 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 0 214 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -13.2 67.5 57.9 56.5 2 10 A T + 0 0 125 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.216 360.0 66.2-168.2 -22.0 67.5 59.1 60.1 3 11 A L S S+ 0 0 59 1,-0.1 42,-0.3 36,-0.1 4,-0.1 0.807 118.0 28.5 -81.8 -26.6 65.3 62.1 60.1 4 12 A N S > S+ 0 0 7 35,-0.2 4,-1.8 40,-0.1 3,-0.3 0.543 91.7 112.9-104.5 -12.5 62.4 59.8 59.3 5 13 A G H > S+ 0 0 16 1,-0.2 4,-4.0 2,-0.2 5,-0.2 0.675 74.1 43.4 -24.5 -68.9 63.6 56.6 60.9 6 14 A G H > S+ 0 0 37 -4,-0.3 4,-4.8 2,-0.2 5,-0.4 0.959 113.8 52.9 -51.9 -56.9 61.3 56.0 63.9 7 15 A I H > S+ 0 0 7 -3,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.831 116.2 39.5 -47.1 -44.6 58.2 56.8 61.8 8 16 A T H X S+ 0 0 20 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.922 116.7 50.7 -73.3 -47.6 59.3 54.5 59.2 9 17 A D H X S+ 0 0 97 -4,-4.0 4,-1.3 -5,-0.2 -2,-0.2 0.881 111.3 45.6 -58.7 -38.5 60.4 52.0 61.7 10 18 A M H X S+ 0 0 5 -4,-4.8 4,-2.2 1,-0.2 -1,-0.2 0.946 113.2 54.6 -65.2 -44.3 57.2 52.0 63.7 11 19 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 -5,-0.4 -2,-0.2 0.770 107.6 46.2 -52.8 -46.1 55.4 51.8 60.4 12 20 A T H X S+ 0 0 49 -4,-2.5 4,-2.9 2,-0.2 -1,-0.3 0.768 111.4 55.3 -71.7 -29.9 57.2 48.7 59.2 13 21 A E H X S+ 0 0 97 -4,-1.3 4,-0.6 -5,-0.3 -2,-0.2 0.961 111.6 42.6 -62.9 -52.6 56.6 47.3 62.6 14 22 A L H >X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 3,-0.9 0.915 116.1 49.2 -56.1 -52.6 53.0 47.9 62.3 15 23 A A H >X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.3 3,-0.7 0.975 105.9 54.5 -54.9 -62.4 52.9 46.7 58.8 16 24 A N H 3X S+ 0 0 83 -4,-2.9 4,-1.3 1,-0.3 -1,-0.3 0.617 106.4 56.9 -48.4 -19.4 54.8 43.5 59.4 17 25 A F H S+ 0 0 38 -3,-0.9 4,-1.8 -4,-0.6 5,-1.4 0.899 102.3 47.4 -80.8 -50.4 52.3 42.7 61.9 18 26 A E H <<5S+ 0 0 7 -4,-1.6 6,-1.4 -3,-0.7 -2,-0.2 0.908 111.8 55.7 -58.8 -41.7 49.1 42.8 60.0 19 27 A K H <5S+ 0 0 87 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.977 120.8 23.1 -57.6 -59.3 50.8 40.8 57.4 20 28 A N H <5S+ 0 0 22 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.974 131.2 34.1 -78.1 -57.1 51.9 37.8 59.7 21 29 A V T <5S+ 0 0 34 -4,-1.8 -3,-0.2 -5,-0.3 2,-0.2 0.938 128.5 27.7 -66.1 -46.5 49.5 37.8 62.7 22 30 A S S + 0 0 25 -6,-1.4 4,-3.7 1,-0.2 5,-0.4 -0.542 19.2 168.2-112.0 66.8 45.4 42.1 56.3 25 33 A I H > S+ 0 0 100 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.814 77.1 57.6 -40.7 -40.3 47.5 42.3 53.2 26 34 A H H > S+ 0 0 148 2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.964 112.0 33.9 -57.6 -65.7 45.8 45.7 52.6 27 35 A K H > S+ 0 0 106 2,-0.3 4,-2.7 1,-0.3 5,-0.3 0.924 118.3 56.8 -57.4 -47.2 46.7 47.5 55.7 28 36 A Y H X S+ 0 0 37 -4,-3.7 4,-1.3 1,-0.3 -2,-0.3 0.892 109.4 44.8 -51.3 -39.2 49.9 45.6 55.5 29 37 A N H X S+ 0 0 79 -4,-2.3 4,-1.7 -5,-0.4 -1,-0.3 0.829 109.8 58.6 -74.6 -28.8 50.2 47.1 52.1 30 38 A A H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.971 103.9 47.9 -62.7 -57.9 49.2 50.6 53.6 31 39 A Y H X S+ 0 0 14 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.893 111.0 55.1 -49.7 -47.6 52.0 50.8 56.2 32 40 A R H X S+ 0 0 143 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.887 109.5 40.6 -59.2 -44.9 54.5 49.9 53.6 33 41 A K H X S+ 0 0 71 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.890 118.7 47.7 -72.3 -34.9 53.8 52.5 51.0 34 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 22,-0.2 5,-0.3 0.895 112.6 50.2 -66.2 -43.5 53.4 55.1 53.7 35 43 A A H X S+ 0 0 6 -4,-3.4 4,-1.3 -5,-0.3 -2,-0.2 0.881 109.0 53.2 -62.6 -38.6 56.5 53.8 55.2 36 44 A S H X S+ 0 0 47 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.885 112.9 42.5 -63.5 -39.9 58.1 54.1 51.8 37 45 A V H >X S+ 0 0 33 -4,-1.8 4,-2.1 2,-0.2 3,-0.6 0.876 110.1 50.5 -76.3 -45.8 57.1 57.8 51.3 38 46 A I H 3< S+ 0 0 0 -4,-2.6 5,-0.2 1,-0.2 -1,-0.2 0.900 106.0 63.0 -61.2 -34.3 57.8 59.3 54.6 39 47 A A H 3< S+ 0 0 43 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.812 107.2 41.8 -53.8 -38.2 61.2 57.6 54.2 40 48 A K H << S+ 0 0 166 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.908 85.0 116.3 -76.4 -45.2 61.8 59.7 51.2 41 49 A Y < - 0 0 47 -4,-2.1 4,-0.1 1,-0.2 -38,-0.1 -0.074 63.9-138.1 -40.9 114.4 60.5 62.9 52.6 42 50 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.087 72.9 54.6 -59.2 4.4 63.3 65.5 52.8 43 51 A H S S- 0 0 107 -5,-0.2 2,-0.5 -39,-0.0 -2,-0.0 -0.977 91.8 -82.1-149.4 164.3 62.4 66.9 56.2 44 52 A K - 0 0 115 -2,-0.3 2,-0.5 1,-0.1 -40,-0.1 -0.452 46.7-127.4 -64.5 111.9 61.6 66.2 59.8 45 53 A I - 0 0 7 -2,-0.5 -1,-0.1 -42,-0.3 3,-0.1 -0.466 30.4-178.9 -64.1 114.8 58.1 65.1 60.0 46 54 A K - 0 0 139 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.607 57.8 -8.0 -93.2 -10.3 56.6 67.5 62.6 47 55 A S > - 0 0 40 1,-0.2 4,-1.5 22,-0.0 -1,-0.2 -0.974 69.5 -98.1-169.5 172.5 53.1 66.2 62.8 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-4.3 2,-0.2 3,-0.7 0.969 119.8 55.2 -67.2 -53.7 50.5 63.9 61.3 49 57 A A H 3> S+ 0 0 69 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.813 110.0 47.5 -40.7 -45.9 48.9 66.7 59.3 50 58 A E H 34 S+ 0 0 42 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.810 117.4 42.0 -61.8 -45.2 52.4 67.5 57.8 51 59 A A H X< S+ 0 0 0 -4,-1.5 3,-3.1 -3,-0.7 -2,-0.2 0.946 105.9 65.0 -64.9 -56.9 52.8 63.8 57.2 52 60 A K H 3< S+ 0 0 88 -4,-4.3 -2,-0.2 1,-0.3 5,-0.2 0.624 82.4 75.5 -37.2 -37.4 49.2 63.5 56.0 53 61 A K T 3< S+ 0 0 164 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.1 0.704 86.3 104.7 -53.2 -23.9 50.0 65.7 53.0 54 62 A L S X S- 0 0 35 -3,-3.1 3,-1.2 1,-0.1 2,-0.5 -0.178 83.4-101.2 -71.3 155.6 51.7 62.6 51.8 55 63 A P T 3 S+ 0 0 91 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.652 110.9 11.9 -79.6 121.2 50.8 60.1 49.3 56 64 A G T 3 S+ 0 0 38 -2,-0.5 2,-1.0 1,-0.2 -22,-0.2 0.157 97.8 133.4 91.0 -4.9 49.4 57.0 50.8 57 65 A V < - 0 0 11 -3,-1.2 -1,-0.2 -5,-0.2 -26,-0.0 -0.672 35.0-174.7 -88.5 100.4 49.1 58.9 54.1 58 66 A G > - 0 0 25 -2,-1.0 4,-1.0 -3,-0.1 -4,-0.1 -0.047 40.4-105.4 -81.2 176.9 45.9 58.4 55.6 59 67 A T H > S+ 0 0 82 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.768 117.0 55.6 -77.4 -32.0 44.2 59.8 58.6 60 68 A K H > S+ 0 0 139 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.891 112.0 40.7 -69.1 -42.9 44.7 56.6 60.5 61 69 A I H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.738 109.2 60.8 -76.2 -28.0 48.5 56.6 60.1 62 70 A A H X S+ 0 0 10 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.949 105.4 51.3 -61.4 -43.6 48.6 60.4 60.7 63 71 A E H X S+ 0 0 125 -4,-1.5 4,-2.1 2,-0.2 5,-0.3 0.845 107.6 48.1 -55.8 -49.4 47.2 59.7 64.0 64 72 A K H X S+ 0 0 35 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.887 109.1 57.8 -66.2 -38.3 49.7 57.0 65.0 65 73 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.957 105.9 47.7 -58.7 -48.8 52.3 59.5 63.8 66 74 A D H X S+ 0 0 71 -4,-2.4 4,-4.0 2,-0.2 5,-0.2 0.967 111.5 48.8 -58.6 -50.7 51.2 62.1 66.2 67 75 A E H X S+ 0 0 76 -4,-2.1 4,-1.7 1,-0.3 6,-0.5 0.890 115.2 46.9 -57.4 -36.1 51.0 59.8 69.2 68 76 A F H < S+ 0 0 50 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.909 112.8 47.5 -75.8 -34.0 54.3 58.6 68.4 69 77 A L H < S+ 0 0 55 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.920 118.0 43.0 -69.9 -39.9 55.7 62.1 67.9 70 78 A A H < S+ 0 0 87 -4,-4.0 2,-0.4 -5,-0.2 -2,-0.2 1.000 125.7 26.5 -65.3 -69.2 54.2 63.2 71.1 71 79 A T S < S- 0 0 69 -4,-1.7 2,-3.1 2,-0.3 -1,-0.2 -0.812 87.1-118.4 -96.4 129.2 55.0 60.2 73.4 72 80 A G S S+ 0 0 75 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.209 92.1 47.3 -55.1 28.2 58.1 58.1 72.4 73 81 A K S S- 0 0 106 -2,-3.1 2,-0.3 -6,-0.5 -2,-0.3 -0.874 70.2-128.8-152.7-174.5 55.7 55.1 71.9 74 82 A L > - 0 0 2 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.994 13.9-142.3-141.8 139.9 52.6 53.8 70.5 75 83 A R H > S+ 0 0 161 -2,-0.3 4,-4.1 2,-0.2 5,-0.3 0.978 105.0 47.3 -70.0 -52.2 49.9 51.8 72.4 76 84 A K H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.835 113.3 53.4 -55.3 -30.8 49.0 49.4 69.6 77 85 A L H > S+ 0 0 18 2,-0.2 4,-2.4 3,-0.1 5,-0.3 0.990 112.7 40.4 -68.3 -54.1 52.7 49.1 69.4 78 86 A E H X S+ 0 0 75 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.955 112.8 54.4 -55.9 -52.9 53.1 48.2 73.0 79 87 A K H X S+ 0 0 128 -4,-4.1 4,-2.4 1,-0.2 -1,-0.2 0.853 113.5 44.1 -47.1 -43.6 50.0 46.1 73.1 80 88 A I H < S+ 0 0 22 -4,-1.9 7,-0.3 -5,-0.3 -1,-0.2 0.862 107.7 55.8 -68.3 -45.1 51.5 44.0 70.1 81 89 A R H < S+ 0 0 186 -4,-2.4 -1,-0.2 -3,-0.2 -2,-0.2 0.860 114.3 42.8 -58.3 -37.7 55.0 43.7 71.5 82 90 A Q H < S+ 0 0 137 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.990 87.3 110.8 -71.5 -62.0 53.5 42.2 74.6 83 91 A D X - 0 0 72 -4,-2.4 4,-3.0 -5,-0.2 5,-0.1 0.262 53.8-157.1 -22.5 112.9 50.9 39.9 72.8 84 92 A D H > S+ 0 0 100 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.864 89.8 52.5 -70.2 -37.4 51.9 36.4 73.3 85 93 A T H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.975 116.0 42.4 -62.4 -48.0 50.1 35.0 70.4 86 94 A S H >> S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.978 113.2 52.3 -58.8 -53.5 51.7 37.5 68.2 87 95 A S H 3X S+ 0 0 45 -4,-3.0 4,-1.2 -7,-0.3 -1,-0.2 0.862 108.5 52.9 -47.8 -43.0 55.1 37.0 70.0 88 96 A S H 3X S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.862 107.1 50.7 -64.4 -40.7 54.8 33.3 69.3 89 97 A I H < S+ 0 0 63 -4,-1.2 3,-2.6 -5,-0.2 4,-0.2 0.893 106.0 52.2 -80.4 -52.0 59.2 33.3 66.7 92 100 A L H >< S+ 0 0 0 -4,-2.5 3,-2.8 1,-0.3 6,-0.2 0.915 95.7 74.5 -53.1 -39.8 58.0 30.0 65.2 93 101 A T T 3< S+ 0 0 46 -4,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.536 79.4 77.5 -49.3 -11.1 58.6 31.6 61.9 94 102 A R T < + 0 0 116 -3,-2.6 2,-0.3 2,-0.1 -1,-0.3 0.711 69.6 95.8 -75.9 -23.7 62.4 31.1 62.7 95 103 A V S X S- 0 0 5 -3,-2.8 3,-2.7 -4,-0.2 2,-0.4 -0.527 90.6-110.1 -72.3 133.2 62.4 27.6 61.8 96 104 A S T 3 S+ 0 0 43 35,-0.3 35,-0.4 -2,-0.3 36,-0.2 -0.513 109.6 29.7 -65.1 117.9 63.5 27.0 58.3 97 105 A G T 3 S+ 0 0 28 -2,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.148 96.7 103.7 115.0 -13.5 60.4 25.8 56.7 98 106 A I < + 0 0 14 -3,-2.7 -1,-0.3 -6,-0.2 0, 0.0 -0.891 41.5 168.3-105.2 134.2 57.9 27.7 58.8 99 107 A G > - 0 0 28 -2,-0.5 4,-3.0 -3,-0.1 5,-0.2 -0.591 53.5 -77.2-126.8-176.3 56.2 30.8 57.5 100 108 A P H > S+ 0 0 39 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.855 125.3 54.2 -56.3 -40.0 53.3 32.8 58.7 101 109 A S H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.979 114.7 36.7 -60.4 -57.9 50.8 30.5 57.5 102 110 A A H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 114.9 58.7 -62.7 -35.1 52.1 27.5 59.3 103 111 A A H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.969 108.7 42.9 -61.2 -52.9 53.1 29.6 62.3 104 112 A R H X S+ 0 0 49 -4,-3.2 4,-2.5 1,-0.2 3,-0.5 0.939 112.5 53.6 -57.9 -46.0 49.6 30.8 62.9 105 113 A K H X S+ 0 0 101 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.892 107.2 52.2 -51.2 -45.2 48.2 27.3 62.3 106 114 A F H X>S+ 0 0 0 -4,-2.6 5,-3.7 2,-0.2 4,-0.8 0.829 109.7 48.6 -59.6 -38.1 50.6 25.9 65.0 107 115 A V H <5S+ 0 0 3 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.938 105.5 56.2 -68.3 -50.0 49.6 28.5 67.6 108 116 A D H <5S+ 0 0 132 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 112.6 42.8 -54.3 -27.4 46.0 27.9 67.0 109 117 A E H <5S- 0 0 106 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.3 0.653 125.5-111.1 -88.6 -23.0 46.8 24.3 67.8 110 118 A G T <5S+ 0 0 34 -4,-0.8 2,-1.5 1,-0.2 3,-0.3 0.482 70.8 137.6 107.0 3.3 49.0 25.6 70.6 111 119 A I < + 0 0 7 -5,-3.7 -1,-0.2 1,-0.2 -2,-0.1 -0.613 17.4 148.7 -79.6 97.7 52.5 24.8 69.6 112 120 A K + 0 0 68 -2,-1.5 2,-0.3 -5,-0.1 -1,-0.2 0.726 51.8 55.5-104.0 -18.3 54.0 28.1 70.7 113 121 A T S > S- 0 0 58 -3,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.726 82.9-113.0-116.8 166.1 57.4 26.9 71.7 114 122 A L H > S+ 0 0 34 -2,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.792 119.5 51.8 -58.0 -33.6 60.3 25.1 70.3 115 123 A E H > S+ 0 0 120 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.931 105.7 52.5 -71.4 -40.2 59.7 22.3 72.6 116 124 A D H > S+ 0 0 39 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.866 105.2 62.5 -57.9 -35.5 56.1 22.1 71.5 117 125 A L H < S+ 0 0 2 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.949 106.0 39.2 -54.8 -52.8 57.9 22.0 68.3 118 126 A R H >< S+ 0 0 121 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.859 108.4 59.4 -66.5 -41.6 59.6 18.8 69.1 119 127 A K H 3< S+ 0 0 156 -4,-3.0 3,-0.2 1,-0.3 -1,-0.2 0.787 113.3 44.1 -56.5 -30.2 56.7 17.1 70.9 120 128 A N T >< + 0 0 39 -4,-1.4 3,-0.6 -3,-0.4 -1,-0.3 -0.384 66.7 132.4-109.9 44.9 55.0 17.5 67.7 121 129 A E G X S+ 0 0 98 -3,-1.4 3,-2.0 1,-0.2 -1,-0.2 0.865 71.1 64.8 -68.5 -28.9 57.5 16.5 65.1 122 130 A D G 3 S+ 0 0 119 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.862 94.7 59.2 -57.7 -35.0 54.9 14.4 63.4 123 131 A K G < S+ 0 0 86 -3,-0.6 2,-0.4 -6,-0.1 -1,-0.3 0.285 98.2 85.5 -74.3 3.7 52.9 17.6 62.6 124 132 A L S < S- 0 0 9 -3,-2.0 2,-0.1 -7,-0.1 5,-0.0 -0.917 73.4-131.8-116.9 137.0 56.0 18.8 60.7 125 133 A N > - 0 0 85 -2,-0.4 4,-2.2 -28,-0.1 5,-0.2 -0.475 38.8 -95.9 -81.3 154.6 57.2 18.2 57.1 126 134 A H H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.760 122.7 51.1 -38.0 -44.3 60.7 17.1 56.3 127 135 A H H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.996 115.1 43.0 -58.7 -59.4 62.0 20.7 55.5 128 136 A Q H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.725 108.1 60.6 -55.1 -33.3 60.6 21.9 58.8 129 137 A R H X S+ 0 0 99 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.937 111.7 38.6 -65.5 -46.4 61.9 18.9 60.6 130 138 A I H X S+ 0 0 7 -4,-2.2 4,-2.8 -3,-0.3 -2,-0.2 0.867 109.5 61.7 -71.4 -32.9 65.4 19.7 59.6 131 139 A G H < S+ 0 0 1 -4,-2.3 -35,-0.3 -35,-0.4 -2,-0.2 0.924 114.0 36.4 -52.9 -46.9 64.8 23.4 60.2 132 140 A L H >< S+ 0 0 13 -4,-2.0 3,-1.5 -36,-0.2 4,-0.3 0.881 112.0 61.4 -72.2 -47.0 64.1 22.6 63.8 133 141 A K H 3< S+ 0 0 121 -4,-2.8 -2,-0.2 1,-0.3 3,-0.2 0.862 119.1 25.4 -53.2 -42.3 66.8 19.9 63.8 134 142 A Y T 3X S+ 0 0 23 -4,-2.8 4,-3.0 1,-0.2 -1,-0.3 0.151 82.8 132.5-109.6 20.8 69.6 22.4 63.0 135 143 A F H <> S+ 0 0 25 -3,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.758 74.2 44.1 -35.8 -51.0 67.8 25.4 64.4 136 144 A G H >> S+ 0 0 42 -4,-0.3 3,-2.0 -3,-0.2 4,-0.6 0.998 115.5 45.7 -60.6 -70.3 70.9 26.5 66.4 137 145 A D H >4 S+ 0 0 31 1,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.743 110.2 58.8 -40.6 -38.1 73.4 26.0 63.6 138 146 A F H 3< S+ 0 0 42 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.816 102.0 49.8 -69.2 -32.2 71.0 27.7 61.3 139 147 A E H << S+ 0 0 99 -3,-2.0 2,-0.3 -4,-1.3 -1,-0.2 0.530 94.8 99.7 -84.5 -4.4 70.9 30.9 63.1 140 148 A K S << S- 0 0 104 -3,-0.7 -4,-0.0 -4,-0.6 -3,-0.0 -0.623 73.0-120.0 -86.3 136.6 74.7 31.1 63.3 141 149 A R - 0 0 141 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.189 25.8-117.1 -68.3 159.6 76.9 33.2 60.9 142 150 A I E -A 180 0A 0 38,-3.5 38,-1.3 40,-0.1 2,-0.3 -0.885 19.7-135.6-107.6 116.6 79.6 31.6 58.7 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-3.4 0, 0.0 4,-1.5 -0.544 13.6-133.9 -69.7 128.0 83.2 32.5 59.4 144 152 A R H 3> S+ 0 0 64 34,-2.8 4,-2.5 -2,-0.3 5,-0.2 0.813 107.8 70.8 -46.2 -35.1 84.9 33.2 56.1 145 153 A E H 34 S+ 0 0 121 33,-0.4 4,-0.4 1,-0.2 -1,-0.3 0.813 106.8 35.5 -52.3 -36.2 87.6 31.1 57.6 146 154 A E H <> S+ 0 0 25 -3,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.640 109.6 63.7 -89.3 -26.1 85.2 28.1 57.2 147 155 A M H X S+ 0 0 2 -4,-1.5 4,-3.2 1,-0.2 -2,-0.2 0.965 101.7 51.6 -59.3 -52.1 83.8 29.4 53.9 148 156 A L H X S+ 0 0 75 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.741 110.2 48.8 -54.1 -39.9 87.2 29.0 52.4 149 157 A Q H > S+ 0 0 69 -4,-0.4 4,-1.7 -5,-0.2 -1,-0.2 0.906 112.7 46.4 -71.5 -40.8 87.4 25.5 53.6 150 158 A M H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.919 113.1 50.0 -61.6 -49.6 84.0 24.6 52.2 151 159 A Q H X S+ 0 0 60 -4,-3.2 4,-2.4 1,-0.3 5,-0.3 0.891 106.4 55.5 -53.1 -50.3 84.7 26.3 48.9 152 160 A D H X S+ 0 0 82 -4,-1.9 4,-1.3 1,-0.2 -1,-0.3 0.919 110.3 48.5 -51.5 -46.4 87.9 24.4 48.6 153 161 A I H X S+ 0 0 43 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.909 109.4 46.2 -63.5 -50.3 85.9 21.3 49.0 154 162 A V H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.900 110.0 55.6 -59.7 -44.0 83.1 21.9 46.5 155 163 A L H X S+ 0 0 54 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.846 104.4 55.9 -57.7 -35.3 85.4 22.9 43.9 156 164 A N H X S+ 0 0 80 -4,-1.3 4,-2.5 -5,-0.3 -1,-0.2 0.939 113.4 35.5 -69.6 -43.1 87.3 19.8 44.3 157 165 A E H X S+ 0 0 15 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.968 110.0 62.1 -70.8 -46.6 84.5 17.4 43.7 158 166 A V H X S+ 0 0 7 -4,-2.7 4,-1.5 1,-0.3 7,-0.3 0.844 112.4 41.2 -36.8 -51.6 82.8 19.5 41.1 159 167 A K H < S+ 0 0 138 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.940 107.8 60.0 -64.9 -56.4 85.9 19.1 39.1 160 168 A K H < S+ 0 0 129 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.803 106.3 47.4 -47.2 -37.7 86.4 15.5 40.0 161 169 A V H < S- 0 0 52 -4,-2.6 2,-0.4 1,-0.4 -1,-0.2 0.993 135.8 -8.0 -71.6 -59.8 83.1 14.4 38.4 162 170 A D < - 0 0 47 -4,-1.5 -1,-0.4 -5,-0.2 3,-0.3 -0.991 57.9-148.0-135.5 141.0 83.4 16.3 35.2 163 171 A S S S+ 0 0 83 -2,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.475 94.0 73.8 -82.2 -9.8 86.2 18.8 34.5 164 172 A E S S+ 0 0 117 -5,-0.1 -1,-0.2 -6,-0.1 -5,-0.1 0.863 71.3 107.7 -70.1 -41.6 83.7 20.7 32.4 165 173 A Y - 0 0 15 -7,-0.3 2,-0.5 -3,-0.3 24,-0.2 -0.031 54.8-154.6 -45.5 132.4 81.8 22.1 35.4 166 174 A I E -B 188 0B 57 22,-2.5 22,-2.3 2,-0.0 2,-0.4 -0.946 16.5-175.9-112.3 122.3 82.1 25.7 36.2 167 175 A A E +B 187 0B 20 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.971 11.2 175.5-130.3 139.5 81.4 26.7 39.8 168 176 A T E -B 186 0B 32 18,-1.7 18,-4.1 -2,-0.4 2,-0.8 -1.000 24.0-144.2-139.0 135.2 81.3 29.9 41.6 169 177 A V E -B 185 0B 5 -2,-0.4 16,-0.2 16,-0.3 2,-0.1 -0.908 32.7-176.0 -98.4 112.7 80.4 30.7 45.1 170 178 A C E +B 184 0B 2 14,-2.3 14,-0.5 -2,-0.8 3,-0.3 -0.120 32.1 72.6 -94.8-162.4 78.6 33.9 44.9 171 179 A G S >> S- 0 0 18 93,-0.2 3,-1.4 1,-0.2 4,-1.3 -0.255 104.4 -40.6 89.5-174.5 77.2 36.1 47.6 172 180 A S T 34>S+ 0 0 30 1,-0.3 5,-1.2 2,-0.2 -1,-0.2 0.779 131.6 69.3 -54.5 -32.7 79.0 38.3 50.2 173 181 A F T >45S+ 0 0 11 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.888 104.0 41.6 -49.5 -48.2 81.5 35.6 50.5 174 182 A R T <45S+ 0 0 47 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.710 105.5 63.5 -70.6 -34.8 82.5 36.6 47.0 175 183 A R T 3<5S- 0 0 67 -4,-1.3 -1,-0.3 90,-0.1 -2,-0.2 0.270 124.6-101.1 -78.1 11.7 82.3 40.2 47.8 176 184 A G T < 5 + 0 0 36 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 -0.032 65.1 164.6 95.5 -30.8 85.1 39.7 50.5 177 185 A A < - 0 0 30 -5,-1.2 -1,-0.2 1,-0.1 146,-0.0 0.242 41.7-131.8 -24.7 136.3 82.8 39.6 53.5 178 186 A E S S+ 0 0 137 -35,-0.1 -34,-2.8 -34,-0.1 -33,-0.4 0.703 86.1 10.5 -64.9 -33.0 84.0 38.3 56.9 179 187 A S E -A 143 0A 41 -36,-0.3 2,-0.3 -35,-0.1 -38,-0.0 -0.873 67.6-158.6-142.0 168.8 81.1 36.0 57.6 180 188 A S E -A 142 0A 1 -38,-1.3 -38,-3.5 -2,-0.3 3,-0.1 -0.957 22.1-133.5-149.8 162.3 78.2 34.7 55.6 181 189 A G S S- 0 0 38 1,-0.3 65,-0.4 -2,-0.3 2,-0.3 0.920 84.1 -17.4 -83.2 -52.2 74.8 33.2 56.2 182 190 A D S S- 0 0 68 63,-0.1 2,-0.5 -40,-0.1 -1,-0.3 -0.955 73.6 -94.8-148.3 164.2 74.9 30.2 53.9 183 191 A M E - c 0 247B 1 63,-2.2 65,-2.6 -2,-0.3 2,-0.6 -0.812 29.9-162.9 -97.5 128.2 76.9 29.1 50.9 184 192 A D E -Bc 170 248B 24 -2,-0.5 -14,-2.3 -14,-0.5 2,-0.7 -0.889 4.9-167.4-106.7 102.0 75.6 29.9 47.4 185 193 A V E -Bc 169 249B 1 63,-3.6 65,-1.7 -2,-0.6 2,-0.6 -0.826 7.9-152.8-100.7 114.4 77.1 27.9 44.7 186 194 A L E -Bc 168 250B 4 -18,-4.1 -18,-1.7 -2,-0.7 2,-0.5 -0.687 21.6-167.2 -80.6 115.4 76.5 29.1 41.0 187 195 A L E +Bc 167 251B 1 63,-2.6 65,-1.9 -2,-0.6 2,-0.3 -0.882 17.1 153.5-123.0 134.5 76.7 26.2 38.7 188 196 A T E -Bc 166 252B 0 -22,-2.3 -22,-2.5 -2,-0.5 3,-0.1 -0.945 18.0-160.9-143.2 167.0 76.9 25.8 34.9 189 197 A H E > - c 0 253B 12 63,-1.1 65,-1.0 3,-0.5 3,-0.7 -0.959 26.4-127.7-143.5 156.7 78.1 23.6 32.3 190 198 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.926 109.0 61.9 -71.5 -47.4 78.8 24.0 28.6 191 199 A S T 3 S+ 0 0 63 1,-0.1 2,-0.3 -3,-0.1 -27,-0.0 0.379 104.4 67.2 -62.3 14.3 76.7 21.0 27.5 192 200 A F < + 0 0 16 -3,-0.7 62,-3.9 60,-0.1 -3,-0.5 -0.934 60.3 126.3-148.8 120.7 73.8 23.2 29.1 193 201 A T S S- 0 0 32 60,-0.4 5,-0.3 -2,-0.3 -5,-0.0 -0.966 70.2 -52.7-161.6 163.2 72.4 26.4 27.9 194 202 A S S S+ 0 0 60 -2,-0.3 4,-0.0 1,-0.2 -2,-0.0 0.453 128.4 18.6 -5.9 -54.4 69.2 28.2 27.0 195 203 A E S S+ 0 0 150 2,-0.1 3,-0.3 1,-0.0 -1,-0.2 0.936 87.2 102.0 -89.9 -78.1 68.0 25.7 24.5 196 204 A S S S- 0 0 48 1,-0.2 2,-1.2 3,-0.0 -3,-0.3 0.204 90.0-109.9 -19.5 85.7 69.7 22.3 24.9 197 205 A T - 0 0 129 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.015 54.1 -85.9 -31.6 67.8 66.8 20.6 26.6 198 206 A K - 0 0 102 -2,-1.2 -5,-0.1 -3,-0.3 27,-0.0 0.063 25.9-139.8 58.4-171.3 68.2 20.3 30.0 199 207 A Q > - 0 0 83 25,-0.2 3,-1.2 -7,-0.1 4,-0.3 -0.273 15.9-173.0 168.1 82.4 70.3 17.5 31.5 200 208 A P T >> S+ 0 0 53 0, 0.0 3,-2.4 0, 0.0 4,-1.5 0.866 82.4 65.3 -56.8 -41.5 68.9 17.0 35.0 201 209 A K H 3> S+ 0 0 126 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.735 84.6 79.2 -55.3 -24.4 71.7 14.6 35.8 202 210 A L H <> S+ 0 0 4 -3,-1.2 4,-0.5 1,-0.2 -1,-0.3 0.799 104.5 28.8 -54.5 -34.6 73.9 17.6 35.4 203 211 A L H <> S+ 0 0 0 -3,-2.4 4,-1.9 -4,-0.3 3,-0.3 0.876 117.1 60.1 -86.8 -47.8 73.0 18.7 38.9 204 212 A H H X S+ 0 0 42 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.626 96.7 61.4 -52.3 -31.8 72.3 15.3 40.3 205 213 A Q H X S+ 0 0 75 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.981 107.8 40.5 -66.0 -58.2 75.8 14.2 39.6 206 214 A V H X S+ 0 0 1 -4,-0.5 4,-2.8 -3,-0.3 5,-0.2 0.810 112.3 55.4 -59.7 -38.2 77.4 16.8 41.9 207 215 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.3 5,-0.4 0.975 108.7 48.9 -60.1 -50.2 74.8 16.5 44.6 208 216 A E H X S+ 0 0 122 -4,-1.7 4,-1.2 1,-0.2 -1,-0.3 0.760 112.2 50.2 -57.8 -27.6 75.5 12.8 44.7 209 217 A Q H >X S+ 0 0 29 -4,-1.0 4,-1.6 2,-0.2 3,-0.5 0.988 108.6 47.9 -72.1 -60.8 79.1 13.6 44.9 210 218 A L H 3<>S+ 0 0 2 -4,-2.8 5,-2.9 1,-0.3 6,-1.2 0.817 117.3 43.7 -42.1 -45.8 79.0 16.0 47.7 211 219 A Q H ><5S+ 0 0 74 -4,-2.5 3,-0.7 3,-0.2 -1,-0.3 0.824 103.8 69.2 -69.3 -35.6 76.8 13.7 49.7 212 220 A K H <<5S+ 0 0 146 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.896 109.0 32.4 -51.1 -46.5 79.1 10.9 48.6 213 221 A V T 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.421 120.4-106.0 -91.5 -2.8 82.0 12.3 50.7 214 222 A H T < 5S+ 0 0 133 -3,-0.7 -3,-0.2 -4,-0.4 18,-0.1 0.776 86.9 119.0 84.0 31.0 79.6 13.6 53.4 215 223 A F S -c 189 0B 20 0, 0.0 3,-3.9 0, 0.0 -60,-0.4 -0.649 32.0-135.6 -75.3 117.6 72.7 27.7 31.3 254 262 A K G > S+ 0 0 54 -62,-3.9 3,-0.8 -65,-1.0 4,-0.2 0.780 102.5 67.4 -43.9 -30.4 76.2 28.4 30.4 255 263 A D G 3 S+ 0 0 75 1,-0.2 -1,-0.3 -63,-0.2 50,-0.2 0.502 108.7 33.7 -75.9 2.5 74.8 31.1 28.2 256 264 A Q G <> S+ 0 0 35 -3,-3.9 4,-1.9 33,-0.1 -1,-0.2 0.361 83.1 113.4-142.6 19.0 73.6 33.0 31.1 257 265 A Y H X> S+ 0 0 2 -3,-0.8 4,-2.6 -4,-0.3 3,-1.7 0.962 77.0 40.6 -52.2 -94.9 76.1 32.4 33.8 258 266 A Y H 3> S+ 0 0 37 1,-0.3 4,-2.4 2,-0.3 -1,-0.2 0.589 112.8 57.5 -35.6 -21.9 77.9 35.8 34.5 259 267 A C H 3> S+ 0 0 8 29,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.980 116.5 34.8 -71.6 -51.1 74.7 37.6 34.2 260 268 A G H < S+ 0 0 67 -4,-1.9 3,-1.6 2,-0.2 -2,-0.2 0.875 108.5 51.9 -59.7 -59.6 73.8 39.5 40.0 264 272 A F H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -93,-0.2 0.756 106.1 61.0 -56.9 -32.0 73.9 37.0 42.8 265 273 A T T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.703 91.7 132.0 -70.6 -23.4 77.2 38.6 43.7 266 274 A G < - 0 0 3 -3,-1.6 2,-0.2 -4,-0.3 -1,-0.2 -0.156 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