==== 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 16-DEC-95 9ICK . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.1 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 . 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 4 1.2 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 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 1 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 . 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 0 220 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -12.1 67.2 58.1 57.0 2 10 A T + 0 0 120 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.148 360.0 76.8-170.9 -3.7 67.1 59.2 60.7 3 11 A L S S+ 0 0 59 36,-0.1 42,-0.2 1,-0.1 4,-0.1 0.820 112.7 19.5 -90.1 -31.1 64.8 62.1 60.5 4 12 A N S > S+ 0 0 7 35,-0.1 4,-2.3 40,-0.1 5,-0.2 0.156 91.9 122.2-125.1 23.4 61.7 60.1 60.3 5 13 A G H > + 0 0 21 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.847 69.3 47.9 -48.6 -58.9 63.1 56.9 61.6 6 14 A G H > S+ 0 0 39 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.936 115.3 49.9 -54.4 -46.3 60.8 56.1 64.7 7 15 A I H > S+ 0 0 8 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.869 111.4 46.5 -60.0 -43.6 57.9 56.8 62.4 8 16 A T H X S+ 0 0 19 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.828 113.6 50.2 -72.0 -28.0 59.1 54.6 59.8 9 17 A D H X S+ 0 0 99 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.953 108.3 49.1 -72.3 -44.9 59.8 52.0 62.3 10 18 A M H X S+ 0 0 5 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.946 110.0 53.3 -55.2 -50.0 56.5 52.0 64.0 11 19 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.797 108.4 51.5 -53.4 -37.3 54.8 51.8 60.6 12 20 A T H X S+ 0 0 58 -4,-1.3 4,-3.1 2,-0.2 5,-0.3 0.941 108.6 48.7 -69.0 -46.4 56.9 48.8 59.9 13 21 A E H X S+ 0 0 72 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.955 115.2 47.9 -54.2 -50.4 56.0 47.0 63.2 14 22 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.941 111.2 48.4 -55.1 -55.1 52.4 47.7 62.4 15 23 A A H X S+ 0 0 4 -4,-2.8 4,-1.9 1,-0.2 3,-0.2 0.939 110.5 51.4 -55.3 -50.1 52.6 46.5 58.8 16 24 A N H X S+ 0 0 86 -4,-3.1 4,-3.0 1,-0.3 5,-0.3 0.917 108.0 51.8 -53.3 -48.0 54.3 43.3 59.8 17 25 A F H X>S+ 0 0 40 -4,-2.4 4,-2.6 -5,-0.3 5,-1.8 0.911 104.6 55.6 -58.5 -41.7 51.7 42.5 62.3 18 26 A E H <5S+ 0 0 7 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.964 115.8 38.8 -55.5 -49.8 48.8 43.0 59.9 19 27 A K H <5S+ 0 0 82 -4,-1.9 -2,-0.2 5,-0.3 -1,-0.2 0.945 122.9 37.7 -65.5 -55.9 50.2 40.6 57.6 20 28 A N H <5S+ 0 0 22 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.806 131.7 20.3 -68.6 -38.7 51.6 37.9 60.1 21 29 A V T <5S+ 0 0 32 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.841 129.8 34.7 -98.7 -58.4 48.9 37.9 62.7 22 30 A S S + 0 0 26 1,-0.2 4,-5.3 -6,-0.1 -5,-0.3 0.080 9.5 158.5 -24.0 54.3 45.4 42.2 56.7 25 33 A I H > S+ 0 0 93 -2,-1.4 4,-2.7 1,-0.2 5,-0.2 0.834 78.0 52.4 -55.5 -32.8 47.4 42.3 53.5 26 34 A H H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.992 116.1 37.0 -68.7 -51.5 45.6 45.4 52.6 27 35 A K H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.888 115.7 56.5 -61.3 -44.5 46.5 47.1 55.8 28 36 A Y H X S+ 0 0 32 -4,-5.3 4,-1.4 1,-0.3 -1,-0.2 0.957 109.8 42.3 -54.6 -53.8 49.7 45.5 55.7 29 37 A N H X S+ 0 0 73 -4,-2.7 4,-1.8 -5,-0.2 5,-0.3 0.816 109.1 64.0 -62.0 -29.6 50.5 46.9 52.4 30 38 A A H >X S+ 0 0 31 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.989 101.0 47.1 -58.5 -58.6 49.1 50.1 53.6 31 39 A Y H 3X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.789 109.2 59.3 -51.0 -35.6 51.7 50.6 56.3 32 40 A R H 3X S+ 0 0 143 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.861 102.6 44.1 -66.5 -44.4 54.4 49.9 53.8 33 41 A K H - 0 0 41 1,-0.2 4,-1.5 22,-0.0 -1,-0.2 -0.997 69.9-105.5-165.9 166.0 52.6 66.3 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 3,-1.2 0.982 116.3 56.5 -59.5 -56.2 50.1 64.0 61.7 49 57 A A H 3> S+ 0 0 66 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.811 104.3 53.9 -43.3 -40.1 48.6 66.5 59.6 50 58 A E H 34 S+ 0 0 42 2,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.870 112.1 43.6 -65.6 -40.3 51.8 67.2 58.0 51 59 A A H X< S+ 0 0 0 -4,-1.5 3,-5.3 -3,-1.2 6,-0.2 0.929 102.4 65.5 -68.3 -48.9 52.3 63.6 57.1 52 60 A K H 3< S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.710 87.9 72.2 -43.2 -30.3 48.8 63.2 56.0 53 61 A K T 3< S+ 0 0 170 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.613 86.9 84.9 -64.1 -17.6 49.7 65.6 53.3 54 62 A L S < S- 0 0 34 -3,-5.3 3,-0.5 1,-0.1 2,-0.2 -0.441 90.8-102.6 -86.4 165.5 51.7 62.8 51.9 55 63 A P S S+ 0 0 96 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.557 108.8 28.9 -81.6 147.5 50.3 60.1 49.6 56 64 A G S S+ 0 0 29 1,-0.2 2,-0.9 -2,-0.2 -22,-0.2 0.123 99.9 111.6 87.6 -24.7 49.7 56.7 51.2 57 65 A V + 0 0 9 -3,-0.5 -1,-0.2 -6,-0.2 2,-0.1 -0.712 43.1 164.7 -94.4 114.0 49.1 58.8 54.3 58 66 A G > - 0 0 26 -2,-0.9 4,-1.7 -3,-0.1 5,-0.1 -0.324 52.0 -82.6-106.6-168.3 45.7 58.7 55.3 59 67 A T H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.814 119.8 53.4 -70.6 -35.7 43.8 59.6 58.4 60 68 A K H > S+ 0 0 128 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.865 114.3 41.0 -71.6 -35.8 44.4 56.5 60.4 61 69 A I H > S+ 0 0 15 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.854 112.0 55.7 -76.4 -38.7 48.1 56.5 60.0 62 70 A A H X S+ 0 0 5 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.934 106.0 54.0 -58.5 -40.7 48.1 60.2 60.6 63 71 A E H X S+ 0 0 121 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.911 108.2 48.0 -56.4 -47.0 46.4 59.5 63.7 64 72 A K H X S+ 0 0 36 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.884 107.1 55.2 -63.3 -44.7 49.0 57.1 64.8 65 73 A I H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.872 103.9 57.7 -59.9 -36.0 51.8 59.4 64.0 66 74 A D H X S+ 0 0 69 -4,-2.1 4,-4.1 -5,-0.2 -1,-0.2 0.970 107.1 44.2 -58.8 -54.3 50.2 61.9 66.1 67 75 A E H X S+ 0 0 72 -4,-1.6 4,-2.7 1,-0.2 6,-0.6 0.779 113.1 53.1 -59.6 -32.8 50.2 59.8 69.3 68 76 A F H < S+ 0 0 53 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.948 114.8 39.3 -73.1 -42.0 53.7 58.6 68.6 69 77 A L H < S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.946 115.6 54.0 -69.1 -44.1 54.9 62.2 68.3 70 78 A A H < S+ 0 0 84 -4,-4.1 2,-0.3 -5,-0.3 -2,-0.2 0.929 127.8 10.1 -53.5 -48.5 52.7 63.2 71.2 71 79 A T S < S- 0 0 70 -4,-2.7 2,-1.1 2,-0.4 -1,-0.2 -0.967 85.3-106.7-132.4 147.0 54.2 60.5 73.5 72 80 A G S S+ 0 0 70 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.317 97.9 50.7 -58.4 19.6 57.2 58.2 72.9 73 81 A K - 0 0 81 -2,-1.1 -2,-0.4 -6,-0.6 2,-0.4 -0.940 67.4-134.9-152.1 175.9 54.8 55.4 72.4 74 82 A L > - 0 0 1 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -1.000 16.9-145.5-132.1 124.6 51.8 54.0 70.7 75 83 A R H > S+ 0 0 174 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.973 100.8 50.1 -56.7 -54.0 49.1 52.0 72.7 76 84 A K H > S+ 0 0 80 1,-0.3 4,-2.2 2,-0.3 -1,-0.2 0.872 110.9 48.7 -50.4 -45.3 48.4 49.6 69.9 77 85 A L H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.943 113.8 48.8 -62.8 -43.1 52.1 48.8 69.4 78 86 A E H X S+ 0 0 80 -4,-2.6 4,-0.5 1,-0.2 -2,-0.3 0.942 108.4 51.2 -61.8 -45.6 52.2 48.4 73.1 79 87 A K H >X S+ 0 0 137 -4,-3.4 4,-1.9 1,-0.2 3,-1.0 0.926 112.1 47.5 -54.3 -50.6 49.2 46.1 73.2 80 88 A I H 3< S+ 0 0 20 -4,-2.2 7,-0.2 1,-0.2 -1,-0.2 0.820 102.9 61.0 -58.7 -43.8 50.6 43.7 70.4 81 89 A R H 3< S+ 0 0 133 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.618 113.0 40.6 -64.3 -13.8 54.2 43.4 72.0 82 90 A Q H << S+ 0 0 146 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.901 86.7 103.8 -92.9 -63.9 52.5 41.9 75.0 83 91 A D X - 0 0 66 -4,-1.9 4,-2.2 1,-0.1 5,-0.2 0.163 61.4-148.9 -24.8 109.0 49.9 39.6 73.5 84 92 A D H > S+ 0 0 98 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 92.4 56.8 -58.8 -39.7 51.0 36.2 73.7 85 93 A T H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 108.1 47.0 -57.1 -46.3 49.3 35.1 70.5 86 94 A S H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.964 112.4 51.0 -60.4 -44.5 51.0 37.6 68.5 87 95 A S H X S+ 0 0 47 -4,-2.2 4,-1.7 -7,-0.2 -1,-0.2 0.893 105.2 56.2 -58.2 -42.6 54.3 36.8 70.0 88 96 A S H X S+ 0 0 13 -4,-2.8 4,-3.3 1,-0.3 5,-0.3 0.868 104.9 51.7 -57.5 -39.9 53.9 33.1 69.3 89 97 A I H X S+ 0 0 6 -4,-1.7 4,-1.5 -3,-0.4 -1,-0.3 0.853 107.8 51.9 -67.7 -38.1 53.4 33.6 65.7 90 98 A N H < S+ 0 0 69 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.849 116.1 42.6 -69.2 -27.3 56.6 35.7 65.5 91 99 A F H >< S+ 0 0 61 -4,-1.7 3,-1.9 -5,-0.2 4,-0.3 0.926 111.0 48.8 -78.7 -55.1 58.4 33.0 67.2 92 100 A L H >< S+ 0 0 1 -4,-3.3 3,-2.7 1,-0.3 6,-0.2 0.906 103.1 66.4 -54.4 -40.5 57.1 29.8 65.5 93 101 A T T 3< S+ 0 0 41 -4,-1.5 -1,-0.3 -5,-0.3 5,-0.2 0.749 84.7 74.3 -54.1 -23.0 57.7 31.6 62.2 94 102 A R T < S+ 0 0 114 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.3 0.747 75.5 93.6 -67.2 -21.4 61.4 31.4 63.0 95 103 A V S X S- 0 0 3 -3,-2.7 3,-2.5 -4,-0.3 2,-0.2 -0.555 89.7-111.6 -75.5 134.8 61.5 27.7 62.2 96 104 A S T 3 S+ 0 0 37 -2,-0.3 35,-0.3 1,-0.3 36,-0.2 -0.442 107.8 28.9 -62.0 128.1 62.5 27.0 58.7 97 105 A G T 3 S+ 0 0 30 1,-0.2 2,-0.6 -2,-0.2 -1,-0.3 0.197 97.3 101.2 107.6 -22.0 59.4 25.6 57.1 98 106 A I < + 0 0 7 -3,-2.5 -1,-0.2 -6,-0.2 26,-0.0 -0.920 44.9 175.0-105.1 116.9 56.9 27.5 59.2 99 107 A G > - 0 0 33 -2,-0.6 4,-2.4 -3,-0.1 5,-0.1 -0.371 51.5 -86.5-103.0-174.0 55.4 30.6 57.6 100 108 A P H > S+ 0 0 43 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.858 124.7 61.2 -63.3 -39.2 52.7 32.7 59.2 101 109 A S H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 3,-0.1 0.962 111.4 36.3 -53.3 -57.8 50.0 30.5 57.8 102 110 A A H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.877 111.0 63.1 -63.3 -40.1 51.2 27.5 59.6 103 111 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.918 104.9 48.2 -51.8 -45.0 52.2 29.6 62.6 104 112 A R H X S+ 0 0 46 -4,-3.4 4,-2.5 2,-0.2 5,-0.2 0.953 109.8 50.8 -60.8 -50.0 48.5 30.5 63.0 105 113 A K H X S+ 0 0 98 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.952 112.1 46.6 -52.3 -53.0 47.3 26.9 62.7 106 114 A F H <>S+ 0 0 0 -4,-2.7 5,-3.3 1,-0.2 3,-0.4 0.838 111.3 51.7 -59.4 -36.2 49.6 25.6 65.4 107 115 A V H ><5S+ 0 0 6 -4,-1.8 3,-1.2 -5,-0.3 -1,-0.2 0.880 105.3 53.5 -70.8 -35.4 48.9 28.4 67.7 108 116 A D H 3<5S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.652 108.9 51.7 -72.9 -9.1 45.3 27.9 67.5 109 117 A E T 3<5S- 0 0 108 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.461 125.8-102.1-103.1 0.0 46.1 24.4 68.4 110 118 A G T < 5S+ 0 0 39 -3,-1.2 2,-0.7 1,-0.3 -3,-0.2 0.455 78.3 132.2 101.3 -3.8 48.1 25.4 71.4 111 119 A I < + 0 0 5 -5,-3.3 -1,-0.3 1,-0.2 -2,-0.2 -0.759 14.1 143.7 -85.2 116.9 51.6 24.9 70.0 112 120 A K + 0 0 67 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.411 54.3 46.4-132.7 -5.1 53.4 28.0 70.9 113 121 A T S > S- 0 0 59 -3,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.843 83.3-103.1-137.4 174.9 56.9 26.8 71.7 114 122 A L H > S+ 0 0 37 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.919 122.7 51.3 -59.7 -47.6 59.8 24.7 70.6 115 123 A E H > S+ 0 0 130 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.942 106.8 53.6 -56.1 -46.8 58.8 22.1 73.2 116 124 A D H > S+ 0 0 45 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.911 109.4 50.8 -52.2 -45.4 55.3 22.2 71.8 117 125 A L H < S+ 0 0 1 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.940 107.3 49.9 -61.5 -48.7 56.7 21.5 68.6 118 126 A R H >< S+ 0 0 124 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.917 109.9 52.2 -56.6 -45.4 58.8 18.6 69.6 119 127 A K H 3< S+ 0 0 154 -4,-2.8 3,-0.3 1,-0.3 -1,-0.3 0.767 116.8 41.7 -60.6 -27.9 55.9 16.9 71.3 120 128 A N T >< + 0 0 42 -4,-1.4 3,-1.9 -3,-0.4 4,-0.3 -0.013 67.3 134.9-113.1 34.5 54.0 17.4 68.2 121 129 A E G X + 0 0 93 -3,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.732 66.1 72.4 -52.7 -22.5 56.5 16.4 65.7 122 130 A D G 3 S+ 0 0 115 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.886 92.2 54.7 -61.4 -38.4 53.8 14.4 64.0 123 131 A K G < S+ 0 0 96 -3,-1.9 2,-0.3 -6,-0.2 -1,-0.2 0.465 94.9 84.0 -75.0 -2.2 52.0 17.5 62.8 124 132 A L S < S- 0 0 5 -3,-1.3 -26,-0.0 -4,-0.3 2,-0.0 -0.811 73.1-129.8-105.0 149.7 55.0 18.9 61.1 125 133 A N > - 0 0 79 -2,-0.3 4,-2.1 -28,-0.1 5,-0.2 -0.207 38.1 -87.2 -85.2 178.2 56.2 18.1 57.6 126 134 A H H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.932 126.7 44.6 -51.7 -54.7 59.7 17.1 56.5 127 135 A H H > S+ 0 0 39 1,-0.3 4,-3.1 2,-0.2 3,-0.2 0.978 114.5 50.3 -52.8 -58.6 61.1 20.6 55.9 128 136 A Q H > S+ 0 0 15 1,-0.3 4,-1.8 -31,-0.2 -1,-0.3 0.770 108.8 53.8 -49.6 -33.0 59.5 21.7 59.2 129 137 A R H X S+ 0 0 96 -4,-2.1 4,-2.9 -3,-0.3 -1,-0.3 0.957 109.1 44.7 -70.0 -49.2 61.1 18.9 60.9 130 138 A I H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.927 110.2 57.0 -57.8 -45.3 64.5 19.6 59.8 131 139 A G H < S+ 0 0 1 -4,-3.1 -35,-0.3 -35,-0.3 -1,-0.2 0.877 110.3 45.1 -52.6 -42.7 63.9 23.2 60.6 132 140 A L H >< S+ 0 0 10 -4,-1.8 3,-1.5 -5,-0.2 4,-0.2 0.933 109.1 54.3 -69.6 -44.8 63.0 22.2 64.2 133 141 A K H 3< S+ 0 0 130 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.813 119.8 33.3 -58.4 -33.3 65.9 19.8 64.5 134 142 A Y T 3X S+ 0 0 15 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.3 -0.025 74.3 130.6-116.2 33.3 68.4 22.5 63.6 135 143 A F H <> S+ 0 0 22 -3,-1.5 4,-0.9 2,-0.2 -1,-0.1 0.893 80.4 41.1 -50.3 -47.0 66.7 25.6 65.0 136 144 A G H >> S+ 0 0 38 -4,-0.2 3,-2.3 2,-0.2 4,-1.1 0.994 114.2 48.2 -65.3 -65.2 69.9 26.7 66.6 137 145 A D H >4 S+ 0 0 33 1,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.835 110.2 58.1 -43.8 -41.4 72.4 25.9 63.9 138 146 A F H 3< S+ 0 0 42 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.763 103.7 48.2 -64.0 -29.3 70.1 27.6 61.5 139 147 A E H << S+ 0 0 104 -3,-2.3 -1,-0.2 -4,-0.9 2,-0.2 0.683 91.6 98.6 -85.2 -16.2 70.2 30.8 63.4 140 148 A K S << S- 0 0 101 -4,-1.1 -4,-0.0 -3,-0.7 0, 0.0 -0.494 74.8-122.3 -72.9 133.7 74.0 30.9 63.6 141 149 A R - 0 0 149 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.198 22.6-117.5 -69.3 166.6 75.9 33.0 61.1 142 150 A I E -A 180 0A 0 38,-4.7 38,-2.8 40,-0.1 2,-0.2 -0.933 22.2-142.1-112.5 111.3 78.5 31.5 58.9 143 151 A P E >> -A 179 0A 37 0, 0.0 3,-3.2 0, 0.0 4,-2.2 -0.469 17.5-124.9 -71.7 135.8 82.0 32.8 59.3 144 152 A R H 3> S+ 0 0 63 34,-3.5 4,-2.6 1,-0.3 5,-0.2 0.785 108.8 68.4 -48.0 -33.7 84.1 33.1 56.1 145 153 A E H 34 S+ 0 0 122 33,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.743 111.1 34.5 -57.7 -27.0 86.8 31.0 57.6 146 154 A E H <> S+ 0 0 25 -3,-3.2 4,-2.8 2,-0.2 3,-0.4 0.820 110.3 62.7 -89.0 -46.1 84.2 28.1 57.3 147 155 A M H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.847 103.1 51.3 -42.7 -47.7 82.7 29.4 54.2 148 156 A L H X S+ 0 0 74 -4,-2.6 4,-2.0 2,-0.2 -1,-0.3 0.846 109.1 50.2 -62.6 -42.0 86.1 28.9 52.4 149 157 A Q H > S+ 0 0 62 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.898 112.7 47.6 -66.7 -38.7 86.3 25.3 53.6 150 158 A M H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.951 112.8 46.9 -62.8 -49.7 82.8 24.7 52.3 151 159 A Q H X S+ 0 0 54 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.890 108.1 59.1 -58.7 -40.7 83.5 26.2 49.0 152 160 A D H X S+ 0 0 86 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.938 110.6 39.8 -56.6 -46.2 86.7 24.2 49.0 153 161 A I H X S+ 0 0 38 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.977 113.6 51.7 -70.1 -50.9 84.8 21.0 49.2 154 162 A V H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.924 111.3 46.7 -51.4 -53.3 82.0 21.8 46.9 155 163 A L H X S+ 0 0 61 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.835 111.3 52.1 -61.9 -35.5 84.1 22.9 44.1 156 164 A N H X S+ 0 0 87 -4,-1.3 4,-2.4 -5,-0.3 -2,-0.2 0.962 111.1 45.1 -67.6 -49.7 86.4 20.0 44.3 157 165 A E H X S+ 0 0 25 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.857 111.3 53.7 -62.9 -35.7 83.6 17.4 44.2 158 166 A V H X S+ 0 0 8 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.949 107.2 51.3 -63.4 -45.8 81.9 19.1 41.4 159 167 A K H < S+ 0 0 131 -4,-1.8 -2,-0.2 1,-0.2 3,-0.2 0.937 107.5 53.8 -55.6 -48.0 85.0 19.1 39.4 160 168 A K H < S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 106.3 50.9 -55.0 -44.3 85.5 15.5 40.0 161 169 A V H < S- 0 0 50 -4,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.867 134.9 -8.2 -62.7 -37.6 82.0 14.6 38.7 162 170 A D >< - 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0 0 48 -2,-0.3 2,-0.2 -5,-0.1 -8,-0.1 -0.889 13.4-145.2 167.1 170.7 62.4 46.0 22.8 300 308 A G + 0 0 38 -2,-0.2 -9,-0.0 -7,-0.1 -2,-0.0 -0.664 28.7 149.2-140.8-163.5 64.6 42.9 23.2 301 309 A E - 0 0 148 -2,-0.2 2,-0.0 2,-0.1 -11,-0.0 0.394 52.2-103.7 123.1 101.9 67.1 40.3 22.0 302 310 A P - 0 0 73 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 -0.186 29.7-138.2 -50.6 119.2 69.6 38.7 24.4 303 311 A L - 0 0 44 -13,-2.6 2,-0.6 1,-0.1 -13,-0.4 -0.492 27.5-105.5 -76.8 150.1 73.0 40.0 24.1 304 312 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.776 38.8-172.4 -88.0 120.0 75.7 37.3 24.3 305 313 A V + 0 0 26 -2,-0.6 -47,-0.2 -50,-0.2 -48,-0.2 -0.961 22.9 170.2-117.0 122.6 77.7 37.2 27.6 306 314 A D S S- 0 0 114 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.445 75.0 -0.3-104.8 -7.3 80.8 35.0 28.3 307 315 A S S > S- 0 0 44 -50,-0.0 4,-1.0 1,-0.0 -1,-0.2 -0.955 80.8 -91.0-170.4 169.4 81.6 36.7 31.7 308 316 A E H > S+ 0 0 5 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.668 123.1 66.2 -62.4 -18.4 80.6 39.3 34.2 309 317 A K H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.979 90.6 57.0 -66.1 -58.6 83.0 41.4 32.1 310 318 A D H > S+ 0 0 41 1,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.796 105.6 56.0 -41.6 -40.7 80.8 41.3 28.9 311 319 A I H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 5,-0.2 0.979 108.9 39.7 -60.0 -65.3 78.1 42.8 30.9 312 320 A F H < S+ 0 0 0 -4,-1.5 5,-0.4 1,-0.2 -2,-0.2 0.912 114.1 58.1 -48.0 -50.9 79.8 46.0 32.3 313 321 A D H >< S+ 0 0 74 -4,-2.4 3,-2.7 3,-0.3 -1,-0.2 0.897 103.1 53.9 -41.8 -58.2 81.4 46.3 28.9 314 322 A Y H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.900 114.1 37.6 -44.8 -59.4 77.9 46.4 27.4 315 323 A I T 3< S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.317 118.8-119.2 -79.2 12.6 76.7 49.2 29.6 316 324 A Q < + 0 0 129 -3,-2.7 2,-0.3 -5,-0.2 -3,-0.3 0.974 61.3 147.5 47.9 78.1 80.2 50.6 29.1 317 325 A W - 0 0 65 -5,-0.4 2,-0.6 3,-0.0 -1,-0.2 -0.896 56.1 -84.4-140.0 169.5 81.2 50.5 32.7 318 326 A K - 0 0 124 -2,-0.3 2,-0.2 1,-0.1 -6,-0.0 -0.623 50.2-115.8 -74.0 114.0 84.1 50.1 35.1 319 327 A Y - 0 0 96 -2,-0.6 2,-0.5 1,-0.1 -1,-0.1 -0.376 35.6-147.7 -59.0 120.6 84.7 46.4 35.8 320 328 A R - 0 0 39 -2,-0.2 -1,-0.1 -11,-0.0 5,-0.1 -0.825 6.7-132.6 -96.3 122.0 83.9 46.0 39.4 321 329 A E - 0 0 134 -2,-0.5 3,-0.5 1,-0.1 -146,-0.0 -0.331 32.5-113.1 -64.3 152.7 85.6 43.6 41.6 322 330 A P S > S+ 0 0 20 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.881 114.3 62.9 -60.1 -36.0 83.1 41.8 43.6 323 331 A K G > S+ 0 0 129 1,-0.3 3,-0.6 2,-0.1 -146,-0.1 0.894 105.5 46.7 -52.1 -45.2 84.3 43.4 46.8 324 332 A D G 3 S+ 0 0 61 -3,-0.5 -1,-0.3 1,-0.2 3,-0.2 -0.016 81.0 96.8 -88.7 28.5 83.4 46.8 45.5 325 333 A R G < + 0 0 0 -3,-1.8 -55,-0.2 1,-0.2 -1,-0.2 0.310 53.2 114.0 -94.3 5.0 80.0 45.8 44.3 326 334 A S < 0 0 65 -3,-0.6 -56,-0.7 1,-0.2 -57,-0.2 0.920 360.0 360.0 -41.3 -72.4 78.8 47.2 47.6 327 335 A E 0 0 160 -3,-0.2 -1,-0.2 -58,-0.2 -54,-0.1 0.365 360.0 360.0-134.2 360.0 76.8 50.2 46.4