==== 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 8ICC . 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) . 18064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.7 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 . 28 8.6 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 . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 38.5 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 2 1 0 2 1 0 0 1 1 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 . 1 2 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 . 2 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 0 215 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -23.8 67.2 58.1 56.8 2 10 A T + 0 0 125 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.183 360.0 73.9-162.8 -11.1 67.3 59.3 60.4 3 11 A L S S+ 0 0 58 36,-0.1 42,-0.3 1,-0.1 3,-0.1 0.842 116.1 22.4 -81.7 -30.4 65.1 62.3 60.2 4 12 A N S > S+ 0 0 7 35,-0.2 4,-2.3 1,-0.1 5,-0.2 0.269 88.5 120.8-119.3 14.1 62.1 60.1 59.9 5 13 A G H > S+ 0 0 18 2,-0.2 4,-3.6 1,-0.2 3,-0.4 0.850 74.5 45.3 -38.7 -70.3 63.4 56.8 61.6 6 14 A G H > S+ 0 0 39 1,-0.3 4,-3.8 2,-0.2 5,-0.3 0.921 114.1 51.7 -45.6 -55.5 61.0 56.3 64.5 7 15 A I H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.874 116.5 39.1 -52.0 -43.0 58.0 57.1 62.3 8 16 A T H X S+ 0 0 17 -4,-2.3 4,-2.4 -3,-0.4 -1,-0.2 0.927 115.0 50.8 -77.4 -40.9 59.1 54.7 59.8 9 17 A D H X S+ 0 0 100 -4,-3.6 4,-2.0 -5,-0.2 -2,-0.2 0.876 112.5 47.4 -61.5 -36.5 60.2 52.1 62.2 10 18 A M H X S+ 0 0 5 -4,-3.8 4,-2.5 -5,-0.3 -1,-0.2 0.950 111.2 51.9 -66.0 -48.6 57.0 52.3 64.0 11 19 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.824 109.9 50.0 -55.6 -37.8 55.0 52.1 60.7 12 20 A T H X S+ 0 0 55 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.893 106.9 52.7 -73.0 -37.5 57.0 49.0 59.8 13 21 A E H X S+ 0 0 96 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.949 112.2 46.9 -57.4 -48.6 56.3 47.4 63.1 14 22 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.889 112.6 50.7 -57.3 -48.0 52.6 48.0 62.5 15 23 A A H >X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 3,-1.3 0.975 109.6 47.6 -56.0 -61.9 52.9 46.7 59.0 16 24 A N H 3X S+ 0 0 87 -4,-2.8 4,-2.0 1,-0.3 5,-0.3 0.826 108.2 57.3 -51.3 -36.2 54.5 43.6 59.8 17 25 A F H 3X>S+ 0 0 34 -4,-1.8 5,-1.2 -5,-0.3 4,-0.8 0.879 105.9 49.0 -67.5 -33.7 52.1 43.0 62.5 18 26 A E H + 0 0 23 -6,-1.0 4,-3.8 -2,-0.6 5,-0.4 -0.419 16.8 164.8-111.0 56.4 45.4 42.2 56.5 25 33 A I H > S+ 0 0 102 -2,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.720 79.0 56.1 -39.2 -29.0 47.4 42.5 53.4 26 34 A H H > S+ 0 0 151 2,-0.2 4,-2.8 3,-0.2 3,-0.3 0.997 113.7 32.8 -71.7 -63.5 45.6 45.8 52.9 27 35 A K H > S+ 0 0 103 1,-0.3 4,-3.0 2,-0.3 5,-0.3 0.913 119.8 56.5 -55.0 -44.3 46.5 47.5 56.1 28 36 A Y H X S+ 0 0 33 -4,-3.8 4,-0.6 1,-0.3 -1,-0.3 0.861 109.1 42.7 -57.3 -37.3 49.5 45.7 55.9 29 37 A N H X S+ 0 0 79 -4,-1.0 4,-1.8 -5,-0.4 -2,-0.3 0.829 111.0 59.4 -79.5 -29.2 50.1 47.3 52.5 30 38 A A H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.980 102.1 49.6 -58.0 -62.1 49.0 50.6 53.8 31 39 A Y H X S+ 0 0 12 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.760 110.7 55.8 -49.7 -30.8 51.6 50.9 56.5 32 40 A R H X S+ 0 0 135 -4,-0.6 4,-1.4 -5,-0.3 -1,-0.2 0.914 106.7 40.6 -76.2 -45.0 54.2 50.1 53.9 33 41 A K H X S+ 0 0 76 -4,-1.8 4,-2.9 -3,-0.3 -2,-0.2 0.920 118.8 51.9 -68.8 -34.0 53.7 52.7 51.2 34 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.945 110.2 45.8 -59.2 -51.8 53.2 55.2 54.0 35 43 A A H X S+ 0 0 8 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.3 0.781 112.9 55.0 -62.9 -26.1 56.3 54.1 55.7 36 44 A S H X S+ 0 0 51 -4,-1.4 4,-1.0 2,-0.1 -2,-0.2 0.926 111.6 40.0 -72.2 -47.4 57.9 54.3 52.2 37 45 A V H >X S+ 0 0 34 -4,-2.9 4,-1.8 2,-0.2 3,-0.8 0.941 109.8 55.9 -68.0 -52.9 56.9 57.9 51.4 38 46 A I H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.1 0.794 104.7 60.2 -53.0 -26.9 57.5 59.4 54.8 39 47 A A H 3< S+ 0 0 41 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.941 103.2 45.8 -66.9 -44.8 61.0 58.1 54.4 40 48 A K H << S+ 0 0 175 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.894 86.0 116.9 -62.6 -42.1 61.8 60.0 51.3 41 49 A Y < - 0 0 47 -4,-1.8 4,-0.1 1,-0.2 -38,-0.1 -0.083 62.1-144.5 -42.9 116.0 60.4 63.2 52.9 42 50 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.111 69.8 53.9 -66.5 4.2 63.2 65.6 53.2 43 51 A H S S- 0 0 112 -39,-0.0 2,-0.6 -40,-0.0 -40,-0.0 -0.904 91.8 -81.1-142.5 174.1 62.1 67.2 56.4 44 52 A K - 0 0 114 -2,-0.3 2,-0.5 1,-0.1 -40,-0.1 -0.589 40.2-131.9 -78.7 118.0 61.2 66.5 59.9 45 53 A I + 0 0 7 -2,-0.6 3,-0.1 -42,-0.3 -38,-0.1 -0.522 28.1 179.2 -69.0 121.0 57.6 65.4 60.3 46 54 A K - 0 0 152 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.472 58.0 -6.0-102.8 -1.1 56.3 67.6 63.1 47 55 A S S > S- 0 0 39 1,-0.2 4,-1.6 22,-0.0 3,-0.3 -0.972 73.6 -92.6-177.7 168.1 52.8 66.4 63.3 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 3,-1.8 0.984 116.3 54.8 -55.6 -67.4 50.2 64.3 61.7 49 57 A A H 3> S+ 0 0 72 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.683 105.4 54.8 -38.1 -35.5 48.7 66.8 59.5 50 58 A E H 34 S+ 0 0 40 -3,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.883 114.6 39.2 -66.3 -45.5 52.0 67.5 57.9 51 59 A A H X< S+ 0 0 0 -3,-1.8 3,-3.9 -4,-1.6 6,-0.3 0.895 104.1 71.4 -66.2 -46.4 52.5 63.9 57.1 52 60 A K H 3< S+ 0 0 88 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.679 84.9 66.9 -39.7 -37.4 48.9 63.7 56.2 53 61 A K T 3< S+ 0 0 159 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.624 84.1 105.1 -63.1 -18.5 49.6 65.8 53.1 54 62 A L S X S- 0 0 31 -3,-3.9 3,-1.2 1,-0.1 2,-0.4 -0.375 83.8-109.8 -73.1 149.8 51.6 62.8 51.9 55 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.579 109.6 26.1 -73.8 131.0 50.3 60.5 49.3 56 64 A G T 3 S+ 0 0 36 -2,-0.4 2,-0.6 1,-0.2 -22,-0.2 -0.025 100.8 106.7 100.5 -26.3 49.6 57.3 51.1 57 65 A V < + 0 0 11 -3,-1.2 -1,-0.2 -6,-0.3 2,-0.2 -0.699 42.1 160.0 -95.4 129.5 48.9 59.0 54.4 58 66 A G > - 0 0 24 -2,-0.6 4,-2.2 -3,-0.1 5,-0.3 -0.611 57.5 -69.0-128.1-171.3 45.6 59.3 55.7 59 67 A T H > S+ 0 0 87 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.815 121.3 59.3 -50.0 -39.3 43.7 59.9 58.8 60 68 A K H > S+ 0 0 136 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.953 112.5 32.5 -54.8 -61.2 44.6 56.4 60.2 61 69 A I H >> S+ 0 0 12 2,-0.2 4,-3.8 1,-0.2 3,-0.8 0.846 112.0 62.9 -64.5 -42.7 48.4 56.7 60.2 62 70 A A H 3X S+ 0 0 9 -4,-2.2 4,-3.4 1,-0.3 -1,-0.2 0.937 101.5 53.6 -50.6 -49.1 48.5 60.5 61.0 63 71 A E H 3X S+ 0 0 130 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.3 0.819 110.0 47.0 -58.9 -30.6 46.8 59.8 64.2 64 72 A K H - 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.974 17.1-135.8-154.0 137.8 52.1 54.1 70.7 75 83 A R H > S+ 0 0 165 -2,-0.3 4,-3.7 2,-0.2 3,-0.2 0.992 104.2 51.0 -64.9 -55.2 49.4 52.0 72.5 76 84 A K H > S+ 0 0 85 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.845 113.2 48.7 -47.1 -39.2 48.8 49.5 69.7 77 85 A L H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.923 111.6 47.3 -72.1 -39.4 52.5 49.0 69.6 78 86 A E H X S+ 0 0 78 -4,-2.3 4,-1.1 -3,-0.2 -2,-0.2 0.947 116.3 45.4 -65.5 -39.5 52.6 48.6 73.4 79 87 A K H >X S+ 0 0 126 -4,-3.7 4,-2.2 2,-0.2 3,-1.3 0.995 113.6 47.8 -62.1 -63.5 49.7 46.2 73.2 80 88 A I H 3< S+ 0 0 23 -4,-2.9 7,-0.2 1,-0.3 -2,-0.2 0.854 109.5 54.5 -42.8 -48.0 51.1 44.1 70.2 81 89 A R H 3< S+ 0 0 195 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.837 113.2 41.8 -58.2 -37.1 54.5 43.8 71.8 82 90 A Q H << S+ 0 0 137 -3,-1.3 -2,-0.2 -4,-1.1 -1,-0.2 0.915 89.2 111.3 -77.1 -44.5 53.1 42.4 74.9 83 91 A D X - 0 0 67 -4,-2.2 4,-2.7 1,-0.1 5,-0.3 -0.140 57.0-150.9 -47.1 107.2 50.5 40.0 73.3 84 92 A D H > S+ 0 0 94 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.843 90.9 48.6 -40.0 -61.3 51.2 36.5 73.7 85 93 A T H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.937 112.6 49.1 -52.2 -50.6 49.7 35.2 70.6 86 94 A S H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 111.5 48.2 -57.7 -46.4 51.3 37.7 68.5 87 95 A S H X S+ 0 0 54 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.879 108.0 57.8 -61.9 -37.9 54.7 37.0 70.0 88 96 A S H X S+ 0 0 12 -4,-3.0 4,-2.3 -5,-0.3 3,-0.3 0.928 106.8 46.2 -59.9 -45.0 54.2 33.3 69.5 89 97 A I H X S+ 0 0 4 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.849 107.6 56.6 -65.7 -36.8 53.7 33.7 65.8 90 98 A N H < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.862 113.0 42.5 -63.7 -31.3 56.6 35.9 65.4 91 99 A F H >< S+ 0 0 58 -4,-1.5 3,-3.1 -3,-0.3 4,-0.2 0.906 108.5 51.9 -78.9 -53.9 58.8 33.3 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 6,-0.3 0.883 99.9 69.0 -52.0 -37.4 57.6 30.0 65.4 93 101 A T T 3< S+ 0 0 41 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.717 82.8 75.4 -53.5 -22.1 58.1 31.8 62.2 94 102 A R T < S+ 0 0 116 -3,-3.1 2,-0.5 2,-0.1 -1,-0.3 0.632 74.7 94.4 -68.9 -15.5 61.9 31.6 63.0 95 103 A V S X S- 0 0 3 -3,-2.3 3,-2.8 -4,-0.2 37,-0.1 -0.704 90.0-110.2 -83.0 127.6 62.0 28.1 62.1 96 104 A S T 3 S+ 0 0 41 -2,-0.5 35,-0.3 1,-0.3 36,-0.1 -0.410 107.8 27.0 -56.5 123.9 63.0 27.3 58.6 97 105 A G T 3 S+ 0 0 30 1,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.023 95.6 101.4 110.5 -25.2 59.9 26.0 57.1 98 106 A I < + 0 0 10 -3,-2.8 -1,-0.2 -6,-0.3 -3,-0.0 -0.886 45.8 178.4-101.5 125.4 57.4 27.7 59.2 99 107 A G > - 0 0 30 -2,-0.6 4,-2.0 -3,-0.1 -4,-0.1 -0.266 47.8 -87.4-103.2-168.0 55.8 30.6 57.6 100 108 A P H > S+ 0 0 43 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.851 123.0 58.9 -74.0 -36.6 53.1 32.8 59.1 101 109 A S H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.952 112.3 37.0 -60.0 -52.7 50.4 30.6 57.9 102 110 A A H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.899 112.9 60.4 -67.7 -36.1 51.6 27.7 59.6 103 111 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.934 105.4 48.5 -56.0 -42.4 52.6 29.8 62.6 104 112 A R H X S+ 0 0 52 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.973 112.1 49.3 -60.2 -51.1 49.1 30.9 63.0 105 113 A K H X S+ 0 0 102 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.936 109.4 49.9 -50.3 -58.6 47.8 27.4 62.8 106 114 A F H X>S+ 0 0 0 -4,-2.8 5,-3.6 1,-0.3 4,-1.4 0.898 111.4 49.5 -48.8 -48.0 50.2 25.9 65.3 107 115 A V H <5S+ 0 0 2 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.909 106.3 55.2 -59.8 -44.9 49.5 28.5 67.8 108 116 A D H <5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.922 109.6 46.2 -57.8 -43.8 45.9 28.0 67.4 109 117 A E H <5S- 0 0 118 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.707 130.7 -99.2 -69.8 -19.9 46.4 24.4 68.2 110 118 A G T <5S+ 0 0 34 -4,-1.4 2,-0.9 1,-0.3 3,-0.3 0.555 77.5 136.6 113.8 10.6 48.6 25.5 71.1 111 119 A I < + 0 0 7 -5,-3.6 -1,-0.3 1,-0.2 -2,-0.1 -0.782 13.0 135.7 -91.5 113.8 52.1 25.2 69.8 112 120 A K + 0 0 76 -2,-0.9 2,-0.2 -3,-0.1 -1,-0.2 0.580 52.7 66.8-128.5 -27.0 53.9 28.2 70.8 113 121 A T S > S- 0 0 58 -3,-0.3 4,-3.3 1,-0.1 5,-0.2 -0.613 78.1-122.1-103.6 159.8 57.1 26.9 72.1 114 122 A L H > S+ 0 0 29 1,-0.3 4,-1.3 -2,-0.2 -1,-0.1 0.917 119.9 51.8 -61.2 -36.5 60.1 25.1 70.6 115 123 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.919 106.0 53.8 -66.4 -38.7 59.4 22.4 73.0 116 124 A D H > S+ 0 0 42 1,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.924 104.5 56.0 -59.1 -42.9 55.8 22.3 71.8 117 125 A L H < S+ 0 0 1 -4,-3.3 3,-0.4 1,-0.2 -1,-0.3 0.835 105.6 51.1 -60.3 -32.9 57.1 21.9 68.5 118 126 A R H >< S+ 0 0 118 -4,-1.3 3,-2.2 -3,-0.3 -2,-0.2 0.985 103.4 54.9 -67.9 -52.6 59.1 18.9 69.6 119 127 A K H 3< S+ 0 0 155 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.594 116.7 42.3 -53.8 -14.6 56.3 17.0 71.2 120 128 A N T >< + 0 0 38 -4,-0.7 3,-1.9 -3,-0.4 -1,-0.3 -0.131 63.8 137.4-129.6 40.8 54.5 17.4 68.0 121 129 A E G X + 0 0 101 -3,-2.2 3,-1.9 1,-0.3 -1,-0.1 0.810 69.7 71.1 -53.5 -28.5 57.1 16.7 65.4 122 130 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.782 89.3 56.7 -58.1 -34.3 54.4 14.7 63.8 123 131 A K G < S+ 0 0 85 -3,-1.9 2,-0.3 -6,-0.1 -1,-0.3 0.472 96.7 85.5 -78.6 -2.7 52.5 17.8 62.8 124 132 A L S < S- 0 0 4 -3,-1.9 2,-0.0 -4,-0.3 5,-0.0 -0.806 73.1-134.2-102.5 141.2 55.5 19.1 61.0 125 133 A N > - 0 0 86 -2,-0.3 4,-1.3 -28,-0.1 5,-0.2 -0.238 40.3 -86.0 -81.9-179.2 56.6 18.2 57.4 126 134 A H H >> S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 3,-1.1 0.908 125.4 48.9 -48.0 -60.0 60.1 17.3 56.3 127 135 A H H 3> S+ 0 0 44 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.923 113.5 46.8 -42.5 -66.4 61.4 20.8 55.9 128 136 A Q H 3> S+ 0 0 14 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.645 107.2 59.6 -51.6 -25.8 60.1 21.9 59.2 129 137 A R H < S+ 0 0 12 -4,-1.7 3,-1.0 -5,-0.2 -1,-0.3 0.896 111.0 56.1 -72.2 -34.6 63.5 22.4 64.0 133 141 A K H 3< S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.3 3,-0.2 0.866 119.6 28.8 -62.7 -40.3 66.3 20.0 64.2 134 142 A Y T 3X S+ 0 0 17 -4,-2.7 4,-3.3 -5,-0.2 -1,-0.3 -0.010 77.5 130.3-111.4 28.6 68.9 22.6 63.4 135 143 A F H <> S+ 0 0 25 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.928 78.6 44.7 -49.0 -50.1 67.2 25.7 64.8 136 144 A G H >> S+ 0 0 40 -4,-0.2 3,-1.3 1,-0.2 4,-0.6 0.992 116.2 44.5 -60.3 -62.9 70.4 26.7 66.7 137 145 A D H >4 S+ 0 0 32 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.850 110.6 56.5 -50.1 -37.9 72.8 26.0 63.8 138 146 A F H 3< S+ 0 0 42 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.818 101.9 54.2 -66.3 -30.3 70.5 27.8 61.4 139 147 A E H << S+ 0 0 100 -4,-1.4 2,-0.3 -3,-1.3 -1,-0.2 0.550 92.5 97.0 -79.2 -8.4 70.5 30.9 63.3 140 148 A K S << S- 0 0 103 -3,-1.1 -4,-0.0 -4,-0.6 -3,-0.0 -0.626 74.6-121.0 -87.0 136.6 74.3 31.2 63.3 141 149 A R - 0 0 139 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.255 26.5-117.6 -69.5 157.7 76.4 33.2 60.9 142 150 A I E -A 180 0A 0 38,-5.6 38,-1.9 4,-0.0 2,-0.2 -0.878 24.0-133.4-101.8 117.3 78.9 31.5 58.8 143 151 A P E >> -A 179 0A 42 0, 0.0 4,-1.7 0, 0.0 3,-1.5 -0.507 13.8-130.5 -68.9 132.6 82.5 32.6 59.5 144 152 A R H 3> S+ 0 0 63 34,-2.7 4,-2.2 1,-0.3 5,-0.2 0.783 107.1 67.0 -48.6 -37.1 84.3 33.3 56.3 145 153 A E H 3> S+ 0 0 121 33,-0.3 4,-0.7 1,-0.3 -1,-0.3 0.898 109.1 39.6 -51.2 -42.8 87.2 31.1 57.6 146 154 A E H <> S+ 0 0 27 -3,-1.5 4,-2.8 2,-0.2 -1,-0.3 0.791 105.8 63.3 -73.5 -38.6 84.7 28.3 57.3 147 155 A M H X S+ 0 0 2 -4,-1.7 4,-3.3 1,-0.3 5,-0.2 0.892 102.2 54.3 -53.7 -40.4 83.2 29.5 54.0 148 156 A L H X S+ 0 0 77 -4,-2.2 4,-1.7 2,-0.2 -1,-0.3 0.804 107.6 47.5 -62.3 -40.3 86.7 28.9 52.6 149 157 A Q H X S+ 0 0 62 -4,-0.7 4,-2.3 -3,-0.2 -2,-0.2 0.938 113.8 47.4 -72.0 -41.5 86.8 25.4 53.7 150 158 A M H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.940 112.6 48.6 -61.2 -47.2 83.4 24.7 52.4 151 159 A Q H X S+ 0 0 64 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.890 106.4 58.8 -59.2 -38.5 84.1 26.3 49.0 152 160 A D H X S+ 0 0 88 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.952 111.0 41.6 -55.8 -47.7 87.2 24.3 48.9 153 161 A I H X S+ 0 0 36 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.977 111.1 51.3 -67.1 -54.9 85.2 21.2 49.1 154 162 A V H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.904 110.0 50.7 -52.1 -43.2 82.4 22.0 46.8 155 163 A L H X S+ 0 0 52 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.927 106.9 53.9 -62.5 -43.8 84.6 23.0 44.0 156 164 A N H X S+ 0 0 79 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.891 111.7 42.2 -57.1 -47.7 86.7 19.9 44.2 157 165 A E H X S+ 0 0 22 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.958 108.3 58.9 -67.2 -44.3 84.0 17.5 43.9 158 166 A V H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.3 7,-0.3 0.871 111.9 44.8 -44.8 -43.5 82.2 19.5 41.2 159 167 A K H < S+ 0 0 132 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.942 107.9 55.1 -67.5 -52.0 85.3 19.1 39.3 160 168 A K H < S+ 0 0 128 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.907 109.7 48.1 -52.6 -43.7 85.8 15.5 40.0 161 169 A V H < S- 0 0 48 -4,-3.2 2,-0.4 1,-0.3 -1,-0.2 0.989 136.5 -8.5 -63.2 -54.7 82.4 14.7 38.7 162 170 A D >< - 0 0 47 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.3 -0.994 52.4-154.3-145.2 136.5 82.8 16.6 35.6 163 171 A S T 3 S+ 0 0 79 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.579 92.4 72.6 -84.4 -9.8 85.6 18.9 34.7 164 172 A E T 3 S+ 0 0 114 -6,-0.1 -1,-0.2 -5,-0.1 2,-0.2 0.538 76.0 109.1 -77.1 -13.4 83.2 20.7 32.4 165 173 A Y < - 0 0 18 -3,-0.7 2,-0.6 -7,-0.3 24,-0.2 -0.439 54.0-157.2 -71.8 138.5 81.4 22.3 35.4 166 174 A I E +B 188 0B 54 22,-1.8 22,-1.6 -2,-0.2 2,-0.4 -0.946 19.0 177.0-115.9 106.1 81.6 25.9 36.2 167 175 A A E +B 187 0B 21 -2,-0.6 2,-0.4 20,-0.2 20,-0.2 -0.905 5.9 179.5-114.7 142.5 80.8 26.6 39.9 168 176 A T E -B 186 0B 32 18,-1.8 18,-2.5 -2,-0.4 2,-0.7 -0.961 25.9-136.0-144.2 124.7 80.9 29.9 41.8 169 177 A V E -B 185 0B 4 -2,-0.4 16,-0.2 16,-0.2 2,-0.0 -0.723 34.9-175.6 -82.2 117.4 80.1 30.7 45.3 170 178 A C + 0 0 1 14,-2.4 14,-0.4 -2,-0.7 3,-0.3 0.058 31.7 69.8 -93.6-157.5 78.1 33.9 45.2 171 179 A G S >> S- 0 0 20 93,-0.8 4,-1.1 1,-0.2 3,-1.1 -0.250 104.7 -36.3 81.3-172.4 76.7 36.1 47.9 172 180 A S T 34>S+ 0 0 31 1,-0.3 5,-1.7 2,-0.2 -1,-0.2 0.783 133.3 65.4 -56.7 -33.9 78.3 38.5 50.4 173 181 A F T >45S+ 0 0 11 -3,-0.3 3,-1.1 1,-0.2 -1,-0.3 0.858 99.4 48.3 -58.9 -38.2 81.1 35.9 50.6 174 182 A R T <45S+ 0 0 51 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.898 107.5 58.6 -68.1 -38.3 82.0 36.6 47.0 175 183 A R T 3<5S- 0 0 68 -4,-1.1 -1,-0.3 90,-0.2 -2,-0.2 -0.003 129.0 -92.9 -77.6 21.2 81.9 40.4 47.9 176 184 A G T < 5 + 0 0 40 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.033 66.8 170.9 90.3 -24.3 84.6 40.0 50.7 177 185 A A < - 0 0 23 -5,-1.7 -1,-0.2 1,-0.1 3,-0.1 0.272 36.1-140.7 -23.3 133.0 82.2 39.5 53.6 178 186 A E S S+ 0 0 150 -35,-0.1 -34,-2.7 1,-0.1 2,-0.3 0.769 84.6 2.7 -72.9 -29.4 83.5 38.4 57.0 179 187 A S E -A 143 0A 40 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.925 68.9-157.4-147.7 172.6 80.6 36.1 57.6 180 188 A S E -A 142 0A 2 -38,-1.9 -38,-5.6 -2,-0.3 3,-0.1 -0.958 23.6-130.1-152.4 164.1 77.6 35.0 55.7 181 189 A G S S- 0 0 37 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.831 84.6 -13.2 -84.4 -38.8 74.3 33.5 56.4 182 190 A D - 0 0 70 63,-0.1 2,-0.6 -40,-0.1 -1,-0.3 -0.994 69.3 -97.9-162.1 155.9 74.4 30.6 53.9 183 191 A M E - c 0 247B 1 63,-1.6 65,-2.4 -2,-0.3 2,-0.6 -0.653 31.6-171.9 -84.9 125.9 76.3 29.2 51.1 184 192 A D E - c 0 248B 22 -2,-0.6 -14,-2.4 -14,-0.4 2,-0.5 -0.851 3.8-170.3-114.3 99.6 74.9 29.9 47.6 185 193 A V E -Bc 169 249B 2 63,-2.5 65,-1.5 -2,-0.6 2,-0.4 -0.790 7.3-154.9 -94.6 130.9 76.6 28.1 44.8 186 194 A L E -Bc 168 250B 1 -18,-2.5 -18,-1.8 -2,-0.5 2,-0.4 -0.849 21.0-176.4-100.6 131.3 75.8 29.0 41.1 187 195 A L E +Bc 167 251B 1 63,-2.8 65,-1.8 -2,-0.4 2,-0.3 -0.978 16.6 154.5-141.4 148.1 76.3 26.4 38.6 188 196 A T E -Bc 166 252B 0 -22,-1.6 -22,-1.8 -2,-0.4 5,-0.1 -0.918 18.8-149.0-151.2 176.7 76.1 25.7 35.0 189 197 A H E > -Dc 192 253B 13 63,-0.8 65,-0.8 3,-0.5 3,-0.8 -0.947 26.3-119.2-147.5 165.1 77.5 23.6 32.4 190 198 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.892 113.4 57.0 -75.1 -43.8 78.3 23.9 28.6 191 199 A S T 3 S+ 0 0 59 1,-0.1 2,-0.4 -3,-0.1 -27,-0.0 0.407 103.2 72.9 -70.2 12.0 76.0 21.1 27.6 192 200 A F B < +D 189 0B 17 -3,-0.8 62,-4.7 60,-0.1 -3,-0.5 -0.928 61.0 124.9-136.9 117.1 73.2 23.2 29.4 193 201 A T - 0 0 31 -2,-0.4 5,-0.2 60,-0.4 -5,-0.0 -0.985 68.8 -55.9-160.9 163.4 71.7 26.5 28.1 194 202 A S S S+ 0 0 62 -2,-0.3 4,-0.1 1,-0.2 -2,-0.0 0.443 128.7 17.6 -6.3 -53.5 68.5 28.5 27.1 195 203 A E S S+ 0 0 152 2,-0.1 3,-0.4 3,-0.0 -1,-0.2 0.924 88.7 105.0 -92.4 -74.6 67.3 25.9 24.5 196 204 A S S S- 0 0 44 1,-0.2 2,-1.2 3,-0.0 -3,-0.3 0.227 87.8-108.1 -18.6 90.1 69.0 22.4 25.1 197 205 A T - 0 0 135 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.069 57.8 -88.0 -32.6 70.3 66.1 20.6 26.6 198 206 A K - 0 0 102 -2,-1.2 -5,-0.1 -3,-0.4 -3,-0.0 0.140 27.4-139.7 52.9-173.3 67.4 20.4 30.1 199 207 A Q > - 0 0 89 25,-0.2 3,-1.4 -7,-0.1 4,-0.4 -0.216 17.0-177.0 170.9 76.0 69.7 17.8 31.7 200 208 A P T >> S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 3,-1.1 0.756 79.8 63.5 -53.8 -37.6 68.4 17.1 35.3 201 209 A K H 3> S+ 0 0 135 1,-0.3 4,-5.8 2,-0.2 5,-0.4 0.802 87.4 76.4 -62.4 -27.6 71.2 14.7 36.2 202 210 A L H <> S+ 0 0 5 -3,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.883 105.4 31.4 -48.5 -45.1 73.4 17.7 35.7 203 211 A L H <> S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.4 -1,-0.2 0.903 121.9 51.9 -76.2 -43.1 72.2 19.0 39.1 204 212 A H H X S+ 0 0 42 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.857 100.1 60.2 -60.4 -46.6 71.7 15.6 40.5 205 213 A Q H X S+ 0 0 85 -4,-5.8 4,-1.5 1,-0.2 -1,-0.2 0.915 111.5 41.9 -53.9 -45.7 75.1 14.3 39.7 206 214 A V H X S+ 0 0 2 -4,-0.9 4,-2.4 -5,-0.4 -1,-0.2 0.907 110.8 53.4 -70.4 -41.6 76.7 16.9 41.7 207 215 A V H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 5,-0.3 0.939 108.7 53.9 -56.5 -41.1 74.3 16.7 44.6 208 216 A E H X S+ 0 0 135 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.871 106.3 50.2 -59.5 -41.1 75.0 13.1 44.7 209 217 A Q H X S+ 0 0 31 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.978 106.9 53.8 -65.2 -48.9 78.6 13.6 45.0 210 218 A L H <>S+ 0 0 0 -4,-2.4 5,-3.6 1,-0.3 6,-1.0 0.832 115.0 40.5 -52.3 -38.8 78.4 16.1 47.8 211 219 A Q H ><5S+ 0 0 76 -4,-1.9 3,-1.5 3,-0.2 -1,-0.3 0.793 106.7 67.6 -76.6 -35.0 76.3 13.7 49.9 212 220 A K H 3<5S+ 0 0 144 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.902 108.6 34.4 -53.3 -46.6 78.5 11.0 48.7 213 221 A V T 3<5S- 0 0 52 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.241 121.7-106.4 -91.8 9.9 81.4 12.4 50.6 214 222 A H T < 5S+ 0 0 139 -3,-1.5 -3,-0.2 -5,-0.2 18,-0.1 0.753 85.8 119.1 73.5 30.2 79.2 13.6 53.5 215 223 A F S -c 189 0B 20 0, 0.0 3,-2.4 0, 0.0 -60,-0.4 -0.447 35.5-130.6 -59.1 127.0 72.0 27.6 31.3 254 262 A K G > S+ 0 0 59 -62,-4.7 3,-1.5 -65,-0.8 4,-0.2 0.831 105.0 71.0 -55.3 -30.4 75.5 28.4 30.6 255 263 A D G 3 S+ 0 0 76 -63,-0.3 -1,-0.3 1,-0.3 50,-0.2 0.537 106.7 34.4 -70.1 8.0 74.1 31.0 28.4 256 264 A Q G <> S+ 0 0 36 -3,-2.4 4,-1.3 33,-0.1 -1,-0.3 0.269 83.6 113.4-143.2 21.0 72.9 33.0 31.4 257 265 A Y H X> S+ 0 0 2 -3,-1.5 4,-3.1 2,-0.2 3,-1.8 0.981 75.6 41.7 -54.3 -87.6 75.6 32.4 34.0 258 266 A Y H 3> S+ 0 0 38 1,-0.3 4,-3.2 2,-0.3 5,-0.2 0.690 112.1 55.3 -35.6 -40.9 77.4 35.8 34.6 259 267 A C H 3> S+ 0 0 8 2,-0.2 4,-2.7 29,-0.2 -1,-0.3 0.944 115.9 38.9 -60.1 -46.4 74.2 37.8 34.5 260 268 A G H X S+ 0 0 4 -4,-3.2 3,-1.4 -5,-0.3 4,-0.8 0.994 112.3 49.4 -61.7 -57.4 76.4 39.3 38.6 263 271 A Y H >< S+ 0 0 64 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.817 109.6 46.5 -44.4 -53.9 73.1 39.5 40.2 264 272 A F H 3< S+ 0 0 58 -4,-2.8 -93,-0.8 1,-0.2 -1,-0.3 0.618 102.3 65.5 -74.4 -16.0 73.5 37.2 43.1 265 273 A T H << S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.723 93.0 143.6 -78.0 -20.9 76.8 38.7 44.0 266 274 A G << - 0 0 4 -4,-0.8 -1,-0.2 -3,-0.7 2,-0.2 -0.299 64.2-153.3 69.5-153.9 74.9 41.9 44.7 267 275 A S > - 0 0 8 59,-0.2 4,-2.4 -3,-0.1 -1,-0.2 0.691 32.8-131.1 -83.2 173.7 74.8 43.9 46.5 268 276 A D H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.818 110.7 43.0 -46.6 -38.9 71.2 44.8 46.3 269 277 A I H > S+ 0 0 77 57,-0.2 4,-2.6 2,-0.2 5,-0.3 0.824 109.5 52.5 -77.6 -40.9 72.3 48.4 45.8 270 278 A F H > S+ 0 0 0 55,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.823 111.1 54.0 -65.5 -27.9 75.2 47.9 43.3 271 279 A N H X S+ 0 0 10 -4,-2.4 4,-4.7 2,-0.2 -2,-0.2 0.991 109.5 41.6 -64.3 -62.5 72.6 46.0 41.4 272 280 A K H X S+ 0 0 149 -4,-1.7 4,-4.3 1,-0.3 5,-0.4 0.965 119.0 47.2 -49.0 -61.6 70.0 48.6 41.2 273 281 A N H X S+ 0 0 89 -4,-2.6 4,-1.9 1,-0.3 -1,-0.3 0.870 113.8 47.7 -52.7 -39.5 72.7 51.1 40.5 274 282 A M H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.3 0.955 115.3 46.8 -67.7 -39.9 74.2 48.9 38.0 275 283 A R H X S+ 0 0 69 -4,-4.7 4,-0.9 1,-0.2 -2,-0.2 0.894 108.9 52.2 -63.3 -44.6 70.8 48.4 36.6 276 284 A A H >X S+ 0 0 57 -4,-4.3 4,-0.8 1,-0.2 3,-0.5 0.886 109.2 54.1 -62.1 -34.7 69.9 52.0 36.5 277 285 A H H >X S+ 0 0 37 -4,-1.9 4,-2.4 -5,-0.4 3,-1.4 0.961 99.0 57.2 -63.0 -50.7 73.1 52.6 34.7 278 286 A A H 3<>S+ 0 0 0 -4,-2.1 5,-1.5 1,-0.3 -1,-0.2 0.709 100.4 64.3 -49.1 -29.1 72.5 50.1 31.8 279 287 A L H X<5S+ 0 0 77 -4,-0.9 3,-0.5 -3,-0.5 -1,-0.3 0.767 106.1 39.4 -62.8 -43.2 69.2 52.1 31.1 280 288 A E H <<5S+ 0 0 137 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 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