==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 31-DEC-03 1S0N . COMPND 2 MOLECULE: 5'-D(*GP*GP*CP*AP*CP*TP*GP*AP*TP*CP*AP*CP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.LING,F.BOUDSOCQ,R.WOODGATE,W.YANG . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.6 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 32.8 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 1 0 0 1 2 1 1 2 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 93 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 144.2 47.3 19.1 15.0 2 2 A I - 0 0 23 113,-0.1 109,-1.5 2,-0.0 2,-0.5 -0.972 360.0-168.2-120.0 121.6 45.9 16.4 12.7 3 3 A V E -AB 110 145A 0 142,-3.6 142,-1.7 -2,-0.5 2,-0.5 -0.919 7.8-161.0-117.1 133.4 42.2 15.5 12.8 4 4 A L E -AB 109 144A 0 105,-3.2 105,-3.0 -2,-0.5 2,-0.5 -0.939 8.9-163.0-113.7 124.2 40.5 12.6 11.2 5 5 A F E -AB 108 143A 0 138,-3.7 138,-3.1 -2,-0.5 2,-0.5 -0.909 2.1-164.2-111.8 127.3 36.7 12.8 10.8 6 6 A V E +AB 107 142A 0 101,-2.7 101,-2.1 -2,-0.5 2,-0.4 -0.948 9.1 176.8-113.3 129.5 34.6 9.7 10.1 7 7 A D E -AB 106 141A 3 134,-2.2 134,-1.7 -2,-0.5 99,-0.2 -0.838 27.1-132.3-136.3 93.6 31.0 10.1 8.7 8 8 A F E > - B 0 140A 1 97,-1.3 3,-0.6 -2,-0.4 132,-0.3 -0.098 32.8-108.5 -45.0 136.8 29.1 6.9 7.9 9 9 A D T 3 S- 0 0 0 130,-1.9 5,-0.3 1,-0.3 130,-0.1 -0.497 80.5 -29.5 -76.3 138.8 27.4 7.2 4.5 10 10 A Y T >> S- 0 0 46 -2,-0.2 4,-2.6 3,-0.1 3,-0.8 0.732 86.3-169.1 16.1 56.5 23.6 7.6 4.2 11 11 A F H <> + 0 0 8 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.797 68.3 45.9 -36.8 -70.9 23.6 5.7 7.5 12 12 A Y H 3> S+ 0 0 29 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.839 118.8 46.4 -51.6 -33.6 20.0 4.6 8.4 13 13 A A H X> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 3,-0.5 0.973 112.2 49.1 -72.4 -54.0 19.6 3.5 4.8 14 14 A Q H 3X S+ 0 0 9 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.910 108.7 51.8 -51.9 -49.4 22.9 1.6 4.6 15 15 A V H 3X S+ 0 0 1 -4,-2.8 4,-1.2 1,-0.2 -1,-0.3 0.858 109.6 51.4 -59.8 -33.1 22.2 -0.3 7.9 16 16 A E H XX S+ 0 0 5 -4,-1.0 4,-1.5 -3,-0.5 3,-1.0 0.974 110.2 48.3 -63.9 -52.7 18.9 -1.4 6.5 17 17 A E H 3< S+ 0 0 10 -4,-2.6 3,-0.4 1,-0.3 6,-0.3 0.889 108.7 54.6 -54.2 -41.8 20.5 -2.6 3.3 18 18 A V H 3< S+ 0 0 55 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.810 109.1 47.7 -65.2 -27.3 23.1 -4.5 5.4 19 19 A L H << S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.713 128.7 24.5 -84.4 -19.2 20.3 -6.2 7.3 20 20 A N S >< S- 0 0 72 -4,-1.5 3,-2.1 -3,-0.4 -1,-0.3 -0.669 71.3-171.4-148.4 81.5 18.6 -7.1 4.1 21 21 A P G > S+ 0 0 76 0, 0.0 3,-2.3 0, 0.0 -4,-0.1 0.679 77.8 76.2 -44.5 -33.9 21.1 -7.2 1.1 22 22 A S G 3 S+ 0 0 75 1,-0.3 4,-0.1 3,-0.1 -5,-0.1 0.615 84.2 69.3 -59.3 -12.8 18.4 -7.6 -1.5 23 23 A L G X S+ 0 0 7 -3,-2.1 3,-1.6 -6,-0.3 -1,-0.3 0.681 73.0 109.1 -80.7 -19.1 17.7 -3.9 -0.9 24 24 A K T < S+ 0 0 138 -3,-2.3 -10,-0.0 1,-0.2 0, 0.0 -0.306 80.9 21.3 -60.0 137.0 21.0 -2.9 -2.5 25 25 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.113 104.7 96.4 92.9 -24.4 20.6 -1.2 -5.9 26 26 A K S < S- 0 0 106 -3,-1.6 -1,-0.3 -4,-0.1 2,-0.2 -0.728 87.9 -99.9 -98.5 149.6 17.0 -0.2 -5.2 27 27 A P - 0 0 32 0, 0.0 45,-2.2 0, 0.0 2,-0.4 -0.510 42.4-161.5 -68.7 131.6 16.1 3.3 -3.9 28 28 A V E -e 72 0B 0 -2,-0.2 19,-1.9 43,-0.2 2,-0.5 -0.960 11.3-169.6-120.3 136.0 15.5 3.1 -0.1 29 29 A V E -eF 73 46B 0 43,-2.7 45,-1.9 -2,-0.4 2,-0.6 -0.922 8.3-157.7-128.3 106.1 13.7 5.6 2.0 30 30 A V E -eF 74 45B 0 15,-2.3 14,-2.3 -2,-0.5 15,-1.4 -0.714 27.2-170.3 -81.4 120.0 13.8 5.4 5.8 31 31 A C E -eF 75 43B 1 43,-3.4 45,-2.9 -2,-0.6 2,-0.6 -0.746 32.1-136.5-119.2 164.7 10.7 7.3 7.2 32 32 A V E - F 0 42B 67 10,-3.3 10,-1.2 -2,-0.3 2,-0.7 -0.893 24.2-155.9-116.3 94.0 9.2 8.6 10.3 33 33 A F E - F 0 41B 95 -2,-0.6 8,-0.3 8,-0.2 5,-0.0 -0.643 3.0-163.3 -74.1 110.8 5.4 7.7 10.2 34 34 A S - 0 0 54 6,-1.3 7,-0.2 -2,-0.7 -1,-0.2 0.814 26.7-131.2 -68.0 -31.6 3.6 10.2 12.5 35 35 A G S S+ 0 0 53 5,-0.5 -1,-0.1 2,-0.4 6,-0.1 0.186 77.1 108.5 102.4 -19.4 0.4 8.2 12.7 36 36 A R S S- 0 0 65 1,-0.1 2,-0.2 215,-0.1 -3,-0.0 0.976 90.5 -20.1 -55.3 -59.4 -2.1 10.9 12.0 37 37 A F S > S- 0 0 138 1,-0.0 3,-1.8 0, 0.0 -2,-0.4 -0.747 95.1 -46.5-139.6-174.2 -3.0 9.6 8.5 38 38 A E T 3 S- 0 0 158 1,-0.3 -2,-0.0 -2,-0.2 24,-0.0 -0.434 124.6 -9.2 -61.7 115.1 -1.9 7.4 5.6 39 39 A D T 3 S+ 0 0 35 -2,-0.4 23,-0.4 1,-0.2 -1,-0.3 0.783 92.3 152.3 66.9 29.1 1.7 8.2 5.0 40 40 A S < + 0 0 6 -3,-1.8 -6,-1.3 21,-0.1 -5,-0.5 -0.635 35.4 61.5 -86.5 152.9 1.9 11.3 7.2 41 41 A G E S-F 33 0B 25 -8,-0.3 20,-1.8 -2,-0.2 21,-0.3 -0.741 78.7 -78.7 125.9-174.8 5.4 12.0 8.7 42 42 A A E -FG 32 60B 38 -10,-1.2 -10,-3.3 18,-0.3 2,-0.5 -0.748 34.2-103.9-124.4 171.2 8.8 12.9 7.3 43 43 A V E -F 31 0B 5 16,-1.5 15,-3.2 13,-0.3 -12,-0.2 -0.820 20.7-168.1 -96.5 129.6 11.8 11.2 5.7 44 44 A A E - 0 0 26 -14,-2.3 2,-0.3 -2,-0.5 13,-0.2 0.911 68.4 -27.6 -81.3 -46.0 14.8 10.6 7.9 45 45 A T E -F 30 0B 17 -15,-1.4 -15,-2.3 11,-0.1 2,-0.4 -0.972 50.8-151.5-166.9 155.3 17.2 9.6 5.1 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.987 26.6-118.0-132.5 140.8 17.3 8.1 1.6 47 47 A N > - 0 0 1 -19,-1.9 4,-1.8 -2,-0.4 5,-0.1 -0.068 43.1 -92.4 -66.9-179.3 20.2 6.1 0.1 48 48 A Y H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.879 122.7 60.6 -70.3 -34.9 21.8 7.5 -3.0 49 49 A E H 4 S+ 0 0 66 1,-0.2 4,-0.3 -23,-0.2 -1,-0.2 0.932 114.8 39.5 -55.3 -40.3 19.7 5.7 -5.6 50 50 A A H >4>S+ 0 0 0 -24,-0.2 5,-1.3 -22,-0.2 3,-0.8 0.801 111.3 56.7 -79.3 -29.2 16.7 7.5 -4.0 51 51 A R H ><5S+ 0 0 83 -4,-1.8 3,-2.3 1,-0.2 -1,-0.2 0.794 88.0 76.2 -72.1 -29.1 18.5 10.8 -3.5 52 52 A K T 3<5S+ 0 0 145 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.807 99.6 46.6 -49.2 -31.4 19.3 11.2 -7.2 53 53 A F T < 5S- 0 0 119 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.210 128.3 -88.5-101.8 15.8 15.7 12.1 -7.6 54 54 A G T < 5S+ 0 0 44 -3,-2.3 2,-1.2 1,-0.2 -3,-0.2 0.541 80.4 136.6 94.3 5.4 15.1 14.6 -4.9 55 55 A V < + 0 0 0 -5,-1.3 2,-0.2 -8,-0.1 -1,-0.2 -0.732 32.0 149.6 -89.6 93.6 14.1 12.3 -2.1 56 56 A K > - 0 0 131 -2,-1.2 3,-1.5 -11,-0.1 -13,-0.3 -0.760 52.6 -68.2-124.4 170.5 16.0 13.6 0.9 57 57 A A T 3 S+ 0 0 59 -2,-0.2 -13,-0.2 1,-0.2 -12,-0.1 -0.271 113.8 27.9 -55.9 131.5 15.8 13.9 4.7 58 58 A G T 3 S+ 0 0 56 -15,-3.2 -1,-0.2 1,-0.4 -14,-0.1 -0.060 85.1 116.6 109.2 -34.9 13.0 16.2 5.8 59 59 A I S < S- 0 0 35 -3,-1.5 -16,-1.5 -17,-0.1 -1,-0.4 -0.426 75.6 -93.6 -74.0 147.7 10.5 16.0 2.9 60 60 A P B >> -G 42 0B 68 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.270 29.3-123.0 -57.1 137.1 7.0 14.7 3.7 61 61 A I H 3> S+ 0 0 0 -20,-1.8 4,-1.2 1,-0.3 -21,-0.1 0.801 112.9 56.3 -53.9 -30.9 6.6 10.9 3.0 62 62 A V H 3> S+ 0 0 52 -23,-0.4 4,-1.4 -21,-0.3 -1,-0.3 0.860 104.3 51.7 -72.1 -33.5 3.8 11.7 0.6 63 63 A E H <> S+ 0 0 77 -3,-0.9 4,-1.0 1,-0.2 -2,-0.2 0.841 107.8 53.5 -69.4 -32.5 6.0 14.0 -1.4 64 64 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.809 105.5 53.1 -71.8 -30.1 8.6 11.2 -1.7 65 65 A K H < S+ 0 0 60 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.843 102.0 58.0 -75.3 -31.4 6.0 8.8 -3.0 66 66 A K H < S+ 0 0 152 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.0 39.4 -63.6 -31.5 5.0 11.2 -5.8 67 67 A I H < S+ 0 0 76 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.853 136.8 13.0 -87.9 -37.8 8.6 11.0 -6.9 68 68 A L >< + 0 0 27 -4,-2.3 3,-2.4 -5,-0.1 -2,-0.2 -0.455 66.4 170.9-139.1 64.5 9.4 7.4 -6.3 69 69 A P T 3 S+ 0 0 81 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.702 81.5 46.7 -48.9 -22.3 6.1 5.5 -5.8 70 70 A N T 3 S+ 0 0 153 -3,-0.1 2,-0.1 -5,-0.1 -5,-0.1 0.114 82.1 119.5-114.0 25.5 7.9 2.2 -6.0 71 71 A A S < S- 0 0 11 -3,-2.4 2,-0.8 -7,-0.1 -43,-0.2 -0.394 76.4 -99.5 -79.7 162.4 10.8 2.8 -3.7 72 72 A V E -e 28 0B 41 -45,-2.2 -43,-2.7 -49,-0.1 2,-0.6 -0.796 40.7-162.9 -88.1 112.4 11.2 0.6 -0.6 73 73 A Y E -e 29 0B 35 -2,-0.8 -43,-0.2 -45,-0.2 -45,-0.0 -0.861 10.5-177.2 -99.1 118.6 9.9 2.7 2.3 74 74 A L E -e 30 0B 39 -45,-1.9 -43,-3.4 -2,-0.6 2,-0.3 -0.821 28.3-111.3-116.6 154.9 10.9 1.5 5.7 75 75 A P E -e 31 0B 66 0, 0.0 -43,-0.2 0, 0.0 -45,-0.1 -0.662 44.5 -99.8 -84.0 137.4 10.0 2.6 9.2 76 76 A M - 0 0 61 -45,-2.9 2,-0.3 -2,-0.3 3,-0.1 -0.291 32.2-167.5 -56.5 131.2 12.9 4.2 11.1 77 77 A R >> + 0 0 84 1,-0.1 4,-2.1 -65,-0.1 3,-0.7 -0.659 14.5 170.3-120.8 68.8 14.4 1.7 13.6 78 78 A K H 3> S+ 0 0 96 -2,-0.3 4,-2.5 1,-0.3 -1,-0.1 0.839 74.1 57.0 -51.2 -39.8 16.5 4.1 15.6 79 79 A E H 3> S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.895 108.2 49.0 -62.4 -39.1 17.4 1.5 18.2 80 80 A V H <> S+ 0 0 35 -3,-0.7 4,-2.3 2,-0.2 3,-0.4 0.982 111.7 45.3 -63.4 -59.6 18.9 -0.7 15.5 81 81 A Y H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.919 109.8 58.8 -52.2 -42.7 21.0 1.9 13.9 82 82 A Q H X S+ 0 0 78 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.898 106.7 45.5 -53.3 -46.9 22.2 3.0 17.3 83 83 A Q H X S+ 0 0 130 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.917 112.3 50.1 -66.3 -42.0 23.6 -0.5 18.2 84 84 A V H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.973 112.1 50.8 -58.5 -49.9 25.3 -0.8 14.8 85 85 A S H X S+ 0 0 2 -4,-3.4 4,-3.2 1,-0.2 -2,-0.2 0.919 106.4 52.2 -51.0 -53.8 26.8 2.7 15.5 86 86 A S H X S+ 0 0 54 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.867 109.8 51.0 -54.6 -36.3 28.1 1.9 18.9 87 87 A R H X S+ 0 0 117 -4,-1.9 4,-1.5 -3,-0.4 -1,-0.2 0.920 111.5 46.1 -70.8 -39.1 29.8 -1.1 17.4 88 88 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.916 112.0 51.9 -67.6 -40.5 31.4 0.9 14.7 89 89 A M H >X S+ 0 0 3 -4,-3.2 3,-1.3 1,-0.2 4,-1.1 0.990 104.2 55.8 -58.6 -59.0 32.5 3.6 17.2 90 90 A N H >< S+ 0 0 89 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.849 103.5 57.2 -39.0 -44.4 34.1 1.1 19.5 91 91 A L H >< S+ 0 0 33 -4,-1.5 3,-1.7 1,-0.3 -1,-0.3 0.929 102.4 54.0 -54.0 -47.5 36.2 0.0 16.4 92 92 A L H X< S+ 0 0 0 -4,-1.5 3,-1.8 -3,-1.3 -1,-0.3 0.688 90.7 75.2 -61.7 -20.2 37.5 3.6 16.1 93 93 A R T << S+ 0 0 105 -3,-1.1 3,-0.3 -4,-1.1 -1,-0.3 0.533 84.5 66.5 -70.5 -5.3 38.7 3.6 19.7 94 94 A E T < S+ 0 0 161 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.490 98.8 53.5 -90.3 -5.3 41.6 1.4 18.6 95 95 A Y S < S- 0 0 24 -3,-1.8 2,-0.2 1,-0.3 -2,-0.2 0.344 122.4 -3.3-111.9 3.8 42.9 4.3 16.6 96 96 A S - 0 0 2 -3,-0.3 -1,-0.3 -4,-0.2 15,-0.1 -0.663 45.5-142.2 169.0 135.7 43.1 7.1 19.2 97 97 A E S S+ 0 0 137 -2,-0.2 2,-1.1 1,-0.2 -1,-0.1 0.812 96.0 73.0 -75.6 -30.0 42.3 7.6 22.9 98 98 A K + 0 0 92 12,-0.3 12,-2.1 -3,-0.1 2,-0.4 -0.740 67.1 147.8 -88.6 95.4 41.2 11.1 22.0 99 99 A I E -C 109 0A 8 -2,-1.1 2,-0.6 10,-0.2 10,-0.2 -0.998 32.7-159.9-136.2 132.3 37.9 10.6 20.2 100 100 A E E -C 108 0A 5 8,-2.4 8,-2.4 -2,-0.4 2,-1.3 -0.944 11.3-149.8-113.9 110.8 34.8 12.9 20.1 101 101 A I E -C 107 0A 54 -2,-0.6 6,-0.2 6,-0.2 -2,-0.0 -0.679 16.5-176.5 -84.4 95.3 31.6 11.2 19.0 102 102 A A E - 0 0 24 -2,-1.3 2,-0.2 4,-0.6 -1,-0.2 0.835 58.0 -29.6 -58.6 -44.3 29.7 14.1 17.3 103 103 A S E > S-C 106 0A 45 3,-1.3 3,-0.7 0, 0.0 -1,-0.0 -0.808 87.8 -58.0-156.2-162.1 26.5 12.3 16.6 104 104 A I T 3 S+ 0 0 32 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.660 134.0 21.0 -69.5 -10.1 25.0 9.0 15.8 105 105 A D T 3 S+ 0 0 29 1,-0.1 -97,-1.3 -97,-0.0 2,-0.4 0.106 109.2 77.5-148.0 29.1 27.2 8.6 12.7 106 106 A E E < +AC 7 103A 32 -3,-0.7 -3,-1.3 -99,-0.2 -4,-0.6 -0.993 43.9 175.3-147.5 137.4 30.2 11.0 13.1 107 107 A A E -AC 6 101A 0 -101,-2.1 -101,-2.7 -2,-0.4 2,-0.5 -0.991 18.1-146.8-142.3 145.5 33.4 10.8 15.1 108 108 A Y E -AC 5 100A 20 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.5 -0.935 14.4-166.1-112.5 133.6 36.5 13.0 15.3 109 109 A L E -AC 4 99A 0 -105,-3.0 -105,-3.2 -2,-0.5 2,-1.1 -0.984 15.6-146.3-122.8 127.3 39.9 11.4 16.0 110 110 A D E +A 3 0A 16 -12,-2.1 3,-0.4 -2,-0.5 -12,-0.3 -0.789 24.5 171.5 -90.0 98.9 42.9 13.4 17.1 111 111 A I >> + 0 0 0 -109,-1.5 3,-1.7 -2,-1.1 4,-1.2 0.069 38.3 118.4 -98.1 25.4 45.7 11.4 15.4 112 112 A S T 34 S+ 0 0 39 -110,-0.4 -1,-0.2 1,-0.3 -109,-0.1 0.817 82.3 43.5 -58.3 -31.4 48.4 13.9 16.1 113 113 A D T 34 S+ 0 0 110 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 -0.113 112.2 51.1-106.4 34.5 50.2 11.2 18.2 114 114 A K T <4 S+ 0 0 94 -3,-1.7 2,-0.3 1,-0.4 -2,-0.2 0.389 113.0 32.0-140.6 -15.1 49.7 8.2 15.7 115 115 A V < - 0 0 14 -4,-1.2 -1,-0.4 1,-0.1 -113,-0.1 -0.995 57.6-149.5-148.4 146.2 51.0 9.7 12.5 116 116 A R S S+ 0 0 210 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.731 78.6 4.9 -88.3 -24.3 53.7 12.2 11.5 117 117 A D S > S- 0 0 62 1,-0.0 4,-1.9 -115,-0.0 3,-0.1 -0.923 80.9 -90.1-151.8 175.4 52.1 13.6 8.4 118 118 A Y H > S+ 0 0 46 -2,-0.3 4,-3.6 2,-0.2 5,-0.2 0.744 120.4 59.9 -63.3 -26.2 49.0 13.7 6.1 119 119 A R H > S+ 0 0 158 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.956 111.7 39.4 -66.2 -48.6 50.5 10.8 4.0 120 120 A E H > S+ 0 0 41 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.781 117.2 52.2 -68.9 -28.7 50.5 8.6 7.1 121 121 A A H >X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 3,-0.8 0.967 107.5 49.6 -70.0 -55.1 47.2 10.1 8.1 122 122 A Y H 3X S+ 0 0 95 -4,-3.6 4,-1.9 1,-0.3 -2,-0.2 0.813 111.9 50.4 -53.0 -33.0 45.6 9.4 4.8 123 123 A N H 3X S+ 0 0 72 -4,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.799 107.1 53.1 -77.3 -28.5 46.9 5.8 5.1 124 124 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 3,-0.5 0.973 107.0 49.2 -62.6 -55.3 42.1 6.5 7.2 126 126 A L H 3X S+ 0 0 65 -4,-1.9 4,-2.8 1,-0.3 5,-0.2 0.920 110.3 51.9 -47.7 -50.6 42.2 3.8 4.5 127 127 A E H 3X S+ 0 0 104 -4,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.857 112.5 47.1 -56.5 -36.2 43.0 1.3 7.2 128 128 A I H S- 0 0 3 -144,-0.1 4,-1.4 1,-0.1 -144,-0.2 -0.856 81.8-100.6-137.5 174.4 41.2 21.0 12.8 148 148 A K H > S+ 0 0 23 87,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.929 115.4 54.2 -59.5 -48.8 37.8 19.6 13.4 149 149 A V H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.932 114.1 38.6 -54.8 -52.8 36.0 22.2 11.2 150 150 A F H > S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.744 111.8 58.7 -74.7 -18.0 38.2 21.6 8.1 151 151 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.910 109.0 45.9 -71.5 -39.8 38.2 17.9 8.7 152 152 A K H X S+ 0 0 42 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.922 112.3 48.7 -67.2 -45.2 34.4 18.0 8.5 153 153 A I H X S+ 0 0 5 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.826 108.0 58.6 -64.3 -29.1 34.5 20.2 5.4 154 154 A A H >X S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.2 4,-1.5 0.999 108.2 42.7 -59.0 -64.1 37.0 17.7 4.1 155 155 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 -2,-0.2 0.841 105.8 63.2 -50.0 -43.4 34.5 14.8 4.4 156 156 A D H 3< S+ 0 0 70 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.832 107.7 44.6 -53.8 -32.6 31.6 16.8 3.0 157 157 A M H << S+ 0 0 83 -3,-1.7 -1,-0.2 -4,-1.2 -2,-0.2 0.841 115.0 46.2 -81.7 -34.9 33.6 17.0 -0.2 158 158 A A H < S+ 0 0 23 -4,-1.5 -2,-0.2 -5,-0.1 5,-0.1 0.880 87.5 141.8 -77.8 -41.1 34.6 13.4 -0.4 159 159 A K < + 0 0 63 -4,-2.6 2,-0.1 3,-0.1 4,-0.1 -0.060 35.0 60.4 -49.0 149.6 31.4 11.6 0.4 160 160 A P S S- 0 0 64 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.565 132.4 -30.3 -84.4 168.6 30.1 9.1 -0.5 161 161 A N S S+ 0 0 90 1,-0.1 2,-0.2 -2,-0.1 -20,-0.1 0.783 109.6 123.7 29.2 54.0 32.5 6.3 0.3 162 162 A G - 0 0 14 -7,-0.1 -20,-2.0 2,-0.0 2,-0.3 -0.616 49.6-147.9-126.8-174.3 35.4 8.7 -0.1 163 163 A I E +d 142 0A 31 -22,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.973 19.6 172.6-155.5 143.8 38.5 10.1 1.7 164 164 A K E -d 143 0A 54 -22,-1.9 -20,-2.5 -2,-0.3 2,-0.3 -0.987 21.2-149.3-162.2 150.8 40.2 13.4 1.5 165 165 A V E -d 144 0A 26 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.878 3.0-162.6-118.2 148.6 42.9 15.7 2.9 166 166 A I E -d 145 0A 0 -22,-1.7 -20,-0.5 -2,-0.3 -12,-0.1 -0.833 22.5-157.0-132.1 88.9 42.9 19.5 3.1 167 167 A D >> - 0 0 65 -2,-0.4 4,-2.3 -22,-0.1 3,-1.5 -0.170 35.9 -92.6 -66.5 161.8 46.5 20.6 3.7 168 168 A D H 3> S+ 0 0 83 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.757 126.7 54.8 -43.2 -34.1 47.5 23.9 5.3 169 169 A E H 3> S+ 0 0 154 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.829 108.7 44.4 -74.0 -36.1 47.8 25.3 1.8 170 170 A E H <> S+ 0 0 38 -3,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.796 107.4 60.6 -78.4 -30.2 44.2 24.4 0.6 171 171 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.938 105.8 48.1 -59.7 -45.0 42.9 25.6 4.0 172 172 A K H X S+ 0 0 134 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.912 110.7 50.8 -62.1 -41.2 44.3 29.0 3.0 173 173 A R H >X S+ 0 0 92 -4,-1.4 4,-3.2 1,-0.2 3,-0.6 0.922 113.5 45.9 -61.6 -42.8 42.7 28.7 -0.4 174 174 A L H 3X S+ 0 0 9 -4,-3.0 4,-1.5 2,-0.3 28,-0.4 0.858 100.0 64.5 -68.8 -38.1 39.3 27.9 1.2 175 175 A I H 3< S+ 0 0 14 -4,-2.9 28,-2.3 -5,-0.2 -1,-0.2 0.790 117.6 33.2 -57.4 -20.3 39.6 30.7 3.8 176 176 A R H << S+ 0 0 138 -4,-0.7 -2,-0.3 -3,-0.6 -1,-0.2 0.866 132.0 24.6 -99.0 -50.8 39.4 32.7 0.6 177 177 A E H < S+ 0 0 94 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.1 0.784 87.5 106.3 -92.4 -28.7 37.2 30.9 -1.9 178 178 A L S < S- 0 0 23 -4,-1.5 24,-0.6 -5,-0.2 5,-0.1 -0.340 78.5-112.8 -59.1 123.6 34.9 28.6 0.2 179 179 A D B > -H 201 0C 75 1,-0.2 3,-1.8 22,-0.1 22,-0.2 -0.332 23.4-131.9 -54.9 131.8 31.3 29.9 0.3 180 180 A I G > S+ 0 0 3 20,-3.6 3,-1.0 1,-0.3 -1,-0.2 0.688 101.6 67.3 -65.5 -17.1 30.8 30.9 3.9 181 181 A A G 3 S+ 0 0 37 19,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.601 91.2 62.1 -78.2 -11.3 27.4 29.1 4.0 182 182 A D G < S+ 0 0 99 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.1 0.147 78.7 110.8 -99.2 19.3 29.2 25.7 3.7 183 183 A V S X S- 0 0 2 -3,-1.0 3,-2.0 3,-0.1 -33,-0.1 -0.862 83.0-106.1 -96.8 116.7 31.0 26.4 7.0 184 184 A P T 3 S+ 0 0 28 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.100 107.9 31.3 -42.0 122.7 29.8 24.0 9.8 185 185 A G T 3 S+ 0 0 48 1,-0.1 2,-0.9 -4,-0.1 -3,-0.1 0.306 88.0 112.6 107.9 -7.8 27.7 26.1 12.1 186 186 A I < - 0 0 15 -3,-2.0 -3,-0.1 -5,-0.1 -1,-0.1 -0.773 46.0-176.2-105.0 93.5 26.3 28.5 9.5 187 187 A G > - 0 0 40 -2,-0.9 4,-3.3 -3,-0.1 5,-0.2 -0.076 42.9 -90.9 -76.5-179.6 22.6 27.9 9.1 188 188 A N H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.956 124.4 52.7 -58.3 -53.7 20.2 29.5 6.8 189 189 A I H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.830 117.4 38.4 -53.3 -36.5 19.2 32.3 9.1 190 190 A T H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 108.8 59.9 -81.7 -44.8 22.9 33.2 9.7 191 191 A A H X S+ 0 0 20 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.855 109.3 48.2 -48.6 -38.2 24.0 32.6 6.1 192 192 A E H X S+ 0 0 93 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.961 105.4 54.0 -68.9 -54.5 21.5 35.3 5.2 193 193 A K H < S+ 0 0 81 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.1 47.4 -51.1 -29.6 22.6 37.8 7.9 194 194 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 3,-2.2 0.933 108.3 50.2 -78.2 -46.7 26.0 37.4 6.4 195 195 A K H ><5S+ 0 0 145 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.786 105.1 62.6 -59.2 -25.0 25.0 37.8 2.7 196 196 A K T 3<5S+ 0 0 151 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.186 106.9 42.8 -85.5 15.0 23.3 40.9 4.1 197 197 A L T < 5S- 0 0 42 -3,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.123 121.3-106.2-140.2 7.2 26.7 42.2 5.1 198 198 A G T < 5S+ 0 0 47 -3,-1.0 2,-0.7 1,-0.2 -3,-0.2 0.688 74.2 142.4 70.4 19.4 28.4 41.2 1.9 199 199 A I < + 0 0 4 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.2 -0.849 2.0 140.7 -97.0 116.3 30.1 38.3 3.6 200 200 A N + 0 0 72 -2,-0.7 -20,-3.6 1,-0.2 2,-0.3 0.435 63.5 50.2-127.9 -15.8 30.4 35.3 1.4 201 201 A K B > S-H 179 0C 66 -22,-0.2 3,-0.7 -21,-0.1 4,-0.3 -0.939 83.3-118.0-127.8 151.6 33.9 34.0 2.3 202 202 A L G > S+ 0 0 1 -24,-0.6 3,-2.1 -28,-0.4 27,-0.2 0.904 113.3 58.3 -52.3 -45.2 35.5 33.4 5.6 203 203 A V G > S+ 0 0 50 -28,-2.3 3,-2.8 1,-0.3 4,-0.5 0.856 89.2 72.6 -54.3 -39.7 38.2 36.1 4.9 204 204 A D G < S+ 0 0 48 -3,-0.7 4,-0.4 1,-0.3 3,-0.4 0.645 85.2 69.5 -53.7 -13.8 35.5 38.7 4.5 205 205 A T G < S+ 0 0 3 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.593 91.2 58.8 -82.4 -9.3 35.0 38.6 8.3 206 206 A L S < S+ 0 0 80 -3,-2.8 -1,-0.2 -4,-0.2 -2,-0.2 0.635 102.0 52.4 -91.4 -16.8 38.4 40.2 8.9 207 207 A S S S+ 0 0 106 -4,-0.5 2,-0.2 -3,-0.4 -2,-0.2 0.554 95.4 82.8 -94.8 -11.9 37.7 43.4 7.0 208 208 A I S S- 0 0 29 -4,-0.4 2,-0.2 1,-0.1 -11,-0.0 -0.566 94.0 -95.0 -91.9 155.9 34.4 44.2 8.8 209 209 A E > - 0 0 129 -2,-0.2 4,-1.5 1,-0.1 3,-0.2 -0.493 33.6-129.6 -68.4 139.8 34.2 46.0 12.1 210 210 A F H > S+ 0 0 72 1,-0.2 4,-3.4 2,-0.2 3,-0.2 0.906 104.9 49.9 -58.2 -46.1 33.9 43.4 14.9 211 211 A D H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.805 106.6 55.6 -65.0 -30.5 30.9 44.9 16.6 212 212 A K H > S+ 0 0 108 -3,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.863 114.2 40.8 -69.1 -35.5 29.0 45.1 13.3 213 213 A L H >X>S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.2 5,-0.6 0.923 116.7 49.5 -75.7 -48.4 29.6 41.4 12.9 214 214 A K H 3X5S+ 0 0 79 -4,-3.4 4,-3.4 1,-0.2 3,-0.3 0.975 108.4 52.5 -52.8 -61.2 28.9 40.6 16.5 215 215 A G H 3<5S+ 0 0 67 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.735 113.9 44.2 -48.4 -29.6 25.7 42.6 16.6 216 216 A M H <<5S+ 0 0 74 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.864 132.7 10.5 -89.0 -38.8 24.3 40.8 13.6 217 217 A I H <5S- 0 0 20 -4,-2.3 4,-0.2 -3,-0.3 -3,-0.2 0.591 112.8 -91.5-116.8 -14.7 25.1 37.1 14.3 218 218 A G X< - 0 0 28 -4,-3.4 4,-2.1 -5,-0.6 5,-0.2 -0.071 30.4 -92.4 113.6 145.1 26.3 37.1 17.9 219 219 A E H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.877 122.9 50.4 -57.8 -38.3 29.6 37.4 19.7 220 220 A A H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 112.0 45.1 -69.5 -43.0 30.1 33.6 19.7 221 221 A K H > S+ 0 0 79 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.816 113.6 51.7 -69.3 -30.0 29.5 33.1 16.0 222 222 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.958 110.9 45.0 -71.1 -52.3 31.7 36.1 15.2 223 223 A K H X S+ 0 0 111 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.964 114.0 52.3 -55.0 -49.9 34.6 34.9 17.2 224 224 A Y H X S+ 0 0 56 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.945 113.2 42.8 -47.6 -61.3 34.1 31.4 15.7 225 225 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.810 114.0 52.4 -58.4 -34.5 34.1 32.7 12.2 226 226 A I H X S+ 0 0 15 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.949 106.2 50.9 -70.0 -47.2 37.0 35.1 12.8 227 227 A S H <>S+ 0 0 30 -4,-3.0 5,-3.6 1,-0.3 6,-0.5 0.885 111.0 49.8 -57.8 -39.6 39.4 32.4 14.3 228 228 A L H <5S+ 0 0 1 -4,-1.7 3,-0.5 -5,-0.3 -1,-0.3 0.866 111.0 51.0 -64.4 -36.8 38.8 30.2 11.3 229 229 A A H <5S+ 0 0 8 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.905 110.0 46.4 -68.0 -44.2 39.5 33.2 9.1 230 230 A R T <5S- 0 0 147 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.457 115.2-122.6 -75.9 -0.8 42.8 34.0 10.8 231 231 A D T 5S+ 0 0 44 -3,-0.5 -3,-0.2 -5,-0.3 -2,-0.1 0.855 82.4 117.0 61.5 35.8 43.4 30.3 10.5 232 232 A E < + 0 0 126 -5,-3.6 2,-0.6 -6,-0.2 -4,-0.2 0.003 29.3 144.7-119.6 25.3 43.8 30.0 14.2 233 233 A Y + 0 0 35 -6,-0.5 2,-0.5 -5,-0.2 -85,-0.1 -0.546 20.0 171.5 -69.8 114.0 40.8 27.7 14.9 234 234 A N + 0 0 124 -2,-0.6 -87,-0.1 -87,-0.1 -2,-0.0 -0.981 11.2 150.0-131.1 118.1 41.9 25.5 17.8 235 235 A E - 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