==== 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 9ICT . 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) . 17860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 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 . 5 1.5 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 2 2 1 2 2 0 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 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 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 -9.6 67.2 58.1 57.0 2 10 A T + 0 0 117 37,-0.1 4,-0.2 3,-0.0 3,-0.1 0.192 360.0 77.3-171.5 -13.1 67.1 59.2 60.6 3 11 A L S S+ 0 0 62 1,-0.2 3,-0.1 36,-0.1 42,-0.1 0.936 112.5 22.8 -77.2 -46.7 64.8 62.2 60.5 4 12 A N S > S+ 0 0 8 37,-0.2 4,-2.9 35,-0.2 5,-0.2 0.127 90.9 127.5-110.0 29.0 61.7 60.2 60.2 5 13 A G H > + 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.895 68.9 42.6 -42.1 -76.7 63.1 57.0 61.8 6 14 A G H > S+ 0 0 37 1,-0.3 4,-3.8 2,-0.2 5,-0.3 0.906 117.4 49.8 -42.2 -56.2 60.7 56.0 64.7 7 15 A I H > S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.923 111.6 45.9 -53.2 -52.5 57.7 56.8 62.5 8 16 A T H X S+ 0 0 21 -4,-2.9 4,-0.7 1,-0.2 -1,-0.3 0.799 118.0 47.9 -64.3 -23.4 59.0 54.8 59.7 9 17 A D H >X S+ 0 0 97 -4,-2.2 4,-2.3 -5,-0.2 3,-0.6 0.955 108.2 47.3 -78.2 -51.7 59.7 52.1 62.2 10 18 A M H 3X S+ 0 0 5 -4,-3.8 4,-3.1 1,-0.3 5,-0.2 0.929 110.1 57.4 -52.0 -47.9 56.6 51.9 64.2 11 19 A L H 3X S+ 0 0 1 -4,-2.2 4,-3.0 -5,-0.3 -1,-0.3 0.813 106.4 50.3 -51.2 -37.4 54.8 51.8 60.8 12 20 A T H S+ 0 0 33 -4,-2.4 4,-3.1 -5,-0.3 5,-1.3 0.895 105.2 58.1 -56.0 -42.2 51.8 42.6 62.4 18 26 A E H X5S+ 0 0 7 -4,-2.0 4,-0.5 -3,-0.3 -1,-0.2 0.966 112.5 38.4 -54.6 -54.5 48.9 43.0 60.0 19 27 A K H <5S+ 0 0 82 -4,-1.9 -1,-0.2 5,-0.2 -2,-0.2 0.900 123.3 39.7 -65.3 -44.2 50.1 40.6 57.6 20 28 A N H <5S+ 0 0 21 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.830 129.4 21.8 -73.9 -40.9 51.5 38.1 60.0 21 29 A V H <5S+ 0 0 32 -4,-3.1 -3,-0.2 -5,-0.3 2,-0.1 0.848 132.5 27.9 -94.9 -51.0 48.8 38.0 62.8 22 30 A S S < + 0 0 24 1,-0.2 4,-5.0 -6,-0.2 5,-0.3 0.075 8.0 160.8 -29.9 61.3 45.4 42.3 56.8 25 33 A I H > S+ 0 0 95 -2,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.870 76.3 52.1 -58.6 -36.5 47.3 42.2 53.6 26 34 A H H > S+ 0 0 156 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.967 116.5 36.9 -61.7 -51.8 45.6 45.4 52.7 27 35 A K H > S+ 0 0 116 2,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.838 115.9 54.0 -64.5 -46.5 46.4 47.2 55.8 28 36 A Y H X S+ 0 0 33 -4,-5.0 4,-1.3 1,-0.3 -1,-0.2 0.945 109.4 47.3 -56.2 -49.0 49.7 45.6 56.0 29 37 A N H X S+ 0 0 78 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.3 0.773 106.5 62.6 -61.2 -29.2 50.4 46.8 52.5 30 38 A A H >X S+ 0 0 30 -4,-0.9 4,-2.1 1,-0.2 3,-0.7 0.996 99.7 50.2 -61.3 -60.5 49.1 50.2 53.8 31 39 A Y H 3X S+ 0 0 13 -4,-2.2 4,-3.1 1,-0.3 5,-0.2 0.788 108.9 57.6 -47.0 -35.7 51.9 50.7 56.5 32 40 A R H 3X S+ 0 0 143 -4,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.875 103.8 42.1 -70.7 -44.5 54.4 49.9 53.9 33 41 A K H - 0 0 37 1,-0.2 4,-1.2 22,-0.0 -1,-0.2 -0.985 69.8-102.1-172.7 165.2 52.7 66.3 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.2 4,-2.3 0.981 116.5 52.0 -56.0 -65.0 50.1 64.0 61.7 49 57 A A H 3> S+ 0 0 61 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.817 106.7 55.2 -39.1 -45.0 48.5 66.5 59.5 50 58 A E H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.823 112.6 43.9 -60.1 -36.2 51.8 67.3 58.1 51 59 A A H X< S+ 0 0 0 -3,-2.4 3,-4.4 -4,-1.2 -2,-0.2 0.952 101.6 62.8 -71.3 -55.5 52.1 63.8 57.3 52 60 A K H 3< S+ 0 0 87 -4,-2.3 5,-0.3 1,-0.4 -2,-0.2 0.721 87.2 78.5 -39.1 -35.6 48.7 63.2 56.0 53 61 A K T 3< S+ 0 0 166 -4,-1.3 -1,-0.4 -5,-0.3 -2,-0.2 0.633 84.3 85.3 -52.1 -20.7 49.8 65.6 53.4 54 62 A L S X S- 0 0 40 -3,-4.4 3,-0.9 4,-0.1 2,-0.3 -0.454 90.0-103.3 -88.4 163.4 51.6 62.8 51.9 55 63 A P T 3 S+ 0 0 94 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.587 111.1 28.6 -79.9 140.4 50.4 60.1 49.5 56 64 A G T 3 S+ 0 0 25 -2,-0.3 2,-1.1 1,-0.2 -22,-0.2 0.326 98.7 120.3 86.2 -11.0 49.7 56.8 51.2 57 65 A V < + 0 0 8 -3,-0.9 -1,-0.2 -5,-0.3 2,-0.0 -0.733 39.2 171.9-103.7 101.9 49.0 58.9 54.2 58 66 A G > - 0 0 27 -2,-1.1 4,-1.3 -3,-0.1 -4,-0.1 -0.059 47.8 -95.5 -87.1-174.3 45.6 58.5 55.4 59 67 A T H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.831 117.8 56.5 -73.8 -37.7 43.8 59.7 58.4 60 68 A K H > S+ 0 0 127 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.868 112.1 39.9 -66.7 -37.8 44.4 56.5 60.3 61 69 A I H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.809 111.2 57.7 -79.5 -33.2 48.1 56.6 60.1 62 70 A A H X S+ 0 0 8 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.947 105.7 53.4 -59.4 -44.2 48.0 60.3 60.6 63 71 A E H X S+ 0 0 120 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.911 108.2 47.6 -52.8 -49.9 46.3 59.5 63.8 64 72 A K H X S+ 0 0 39 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.835 108.2 54.9 -63.9 -38.7 48.9 57.1 64.9 65 73 A I H X S+ 0 0 0 -4,-2.6 4,-3.6 2,-0.2 -1,-0.2 0.905 104.4 55.3 -65.4 -40.8 51.7 59.5 64.1 66 74 A D H X S+ 0 0 70 -4,-2.5 4,-4.0 1,-0.2 -2,-0.2 0.956 110.0 44.4 -54.8 -54.2 50.1 62.0 66.3 67 75 A E H X S+ 0 0 67 -4,-2.0 4,-2.5 1,-0.2 6,-0.4 0.842 115.3 47.9 -57.9 -41.4 50.0 59.8 69.2 68 76 A F H < S+ 0 0 53 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.950 116.2 43.7 -68.2 -43.2 53.4 58.6 68.7 69 77 A L H < S+ 0 0 58 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.989 114.5 48.9 -60.5 -58.0 54.7 62.0 68.2 70 78 A A H < S+ 0 0 88 -4,-4.0 2,-0.4 -5,-0.2 -1,-0.2 0.857 127.7 21.7 -44.5 -47.9 52.8 63.4 71.1 71 79 A T S < S- 0 0 72 -4,-2.5 2,-2.2 2,-0.3 -1,-0.2 -0.997 83.8-113.1-135.0 132.6 54.1 60.5 73.3 72 80 A G S S+ 0 0 70 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.326 96.8 44.0 -42.2 10.7 57.1 58.1 73.1 73 81 A K - 0 0 84 -2,-2.2 2,-0.4 -6,-0.4 -2,-0.3 -0.961 69.8-131.3-154.9 172.7 54.8 55.3 72.4 74 82 A L > - 0 0 1 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.995 17.3-143.7-127.6 125.6 51.7 54.0 70.7 75 83 A R H >> S+ 0 0 178 -2,-0.4 4,-2.5 1,-0.2 3,-0.7 0.975 102.3 49.4 -55.2 -58.2 49.0 52.1 72.6 76 84 A K H 3> S+ 0 0 75 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.850 110.1 51.6 -45.9 -44.6 48.3 49.6 69.9 77 85 A L H 3> S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.871 111.6 49.1 -64.5 -36.1 52.0 48.9 69.6 78 86 A E H << S+ 0 0 75 -4,-2.0 4,-0.4 -3,-0.7 -2,-0.2 0.887 107.9 50.8 -72.1 -37.2 52.0 48.3 73.3 79 87 A K H >X S+ 0 0 137 -4,-2.5 4,-2.1 1,-0.2 3,-0.9 0.943 112.1 48.6 -63.2 -47.3 49.1 46.0 73.4 80 88 A I H 3< S+ 0 0 21 -4,-2.2 7,-0.3 1,-0.2 -2,-0.2 0.841 104.8 58.1 -60.6 -41.0 50.7 43.8 70.4 81 89 A R T 3< S+ 0 0 130 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.603 114.6 39.8 -69.3 -10.9 54.2 43.5 72.1 82 90 A Q T <4 S+ 0 0 143 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.911 87.7 102.4 -95.2 -61.9 52.5 41.9 75.1 83 91 A D X - 0 0 66 -4,-2.1 4,-2.1 1,-0.1 5,-0.1 0.185 60.9-149.8 -27.1 114.6 50.0 39.7 73.6 84 92 A D H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 91.8 58.7 -68.2 -32.6 51.1 36.3 73.7 85 93 A T H > S+ 0 0 49 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.944 108.0 46.0 -60.6 -42.6 49.3 35.2 70.6 86 94 A S H >> S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.984 111.0 54.6 -60.7 -50.9 51.0 37.7 68.5 87 95 A S H 3X S+ 0 0 50 -4,-2.1 4,-1.1 -7,-0.3 -1,-0.2 0.846 103.1 56.0 -47.4 -45.1 54.3 36.8 70.1 88 96 A S H 3X S+ 0 0 12 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 0.852 104.2 51.5 -58.3 -40.7 53.9 33.1 69.2 89 97 A I H < S+ 0 0 64 -4,-1.1 3,-2.5 -5,-0.2 -2,-0.2 0.932 111.5 45.0 -86.0 -60.2 58.3 32.9 67.1 92 100 A L H >< S+ 0 0 1 -4,-3.5 3,-2.4 1,-0.3 6,-0.2 0.877 104.1 68.9 -53.2 -38.8 57.1 29.8 65.4 93 101 A T T 3< S+ 0 0 44 -4,-1.5 -1,-0.3 -5,-0.3 4,-0.2 0.682 82.6 75.5 -54.3 -21.8 57.6 31.6 62.2 94 102 A R T < S+ 0 0 108 -3,-2.5 2,-0.6 -5,-0.1 -1,-0.3 0.490 75.8 96.1 -73.6 -3.7 61.4 31.4 63.0 95 103 A V S X S- 0 0 2 -3,-2.4 3,-3.6 3,-0.1 2,-0.2 -0.814 86.9-114.5 -95.3 127.7 61.3 27.8 62.0 96 104 A S T 3 S+ 0 0 42 -2,-0.6 35,-0.5 1,-0.3 36,-0.2 -0.409 108.6 26.8 -59.2 122.2 62.4 27.0 58.6 97 105 A G T 3 S+ 0 0 29 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.003 98.7 103.5 111.4 -24.1 59.3 25.6 57.1 98 106 A I < + 0 0 8 -3,-3.6 -1,-0.2 -6,-0.2 -3,-0.1 -0.865 44.3 173.4 -98.9 118.5 57.0 27.5 59.3 99 107 A G > - 0 0 31 -2,-0.7 4,-1.1 -3,-0.1 -4,-0.1 -0.163 49.8 -92.1 -98.6-164.4 55.4 30.4 57.6 100 108 A P H > S+ 0 0 44 0, 0.0 4,-3.4 0, 0.0 5,-0.1 0.802 122.1 62.6 -82.2 -35.7 52.7 32.5 59.3 101 109 A S H > S+ 0 0 91 1,-0.3 4,-1.4 2,-0.2 -3,-0.1 0.954 113.2 35.7 -51.0 -57.6 49.9 30.6 57.8 102 110 A A H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.789 108.7 65.6 -66.0 -37.0 51.2 27.6 59.7 103 111 A A H X S+ 0 0 0 -4,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.947 104.4 48.5 -56.2 -42.9 52.2 29.8 62.6 104 112 A R H >X S+ 0 0 52 -4,-3.4 4,-2.2 2,-0.2 3,-0.6 0.954 107.7 51.0 -60.8 -54.0 48.5 30.5 63.1 105 113 A K H 3< S+ 0 0 95 -4,-1.4 3,-0.3 1,-0.3 4,-0.3 0.938 110.3 49.9 -47.8 -55.2 47.1 26.9 62.9 106 114 A F H ><>S+ 0 0 0 -4,-2.2 5,-4.5 1,-0.3 3,-0.7 0.821 109.9 50.4 -56.4 -34.0 49.6 25.7 65.5 107 115 A V H X<5S+ 0 0 7 -4,-1.3 3,-0.8 -3,-0.6 -1,-0.3 0.869 105.8 54.9 -74.2 -33.6 48.7 28.4 67.8 108 116 A D T 3<5S+ 0 0 129 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.460 110.2 47.8 -77.0 0.6 45.2 27.8 67.5 109 117 A E T < 5S- 0 0 107 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.354 125.6-103.8-115.1 -3.1 46.0 24.3 68.5 110 118 A G T < 5S+ 0 0 36 -3,-0.8 2,-0.8 1,-0.3 -3,-0.3 0.570 75.4 136.3 95.1 7.5 48.1 25.5 71.3 111 119 A I < + 0 0 5 -5,-4.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.842 14.9 141.8 -91.4 114.3 51.6 24.9 69.9 112 120 A K + 0 0 68 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.2 0.476 52.9 44.5-128.0 -15.5 53.4 28.0 70.9 113 121 A T S > S- 0 0 58 -3,-0.2 4,-2.5 1,-0.1 5,-0.0 -0.700 84.4 -99.8-127.6 179.8 56.8 26.9 71.8 114 122 A L H > S+ 0 0 35 2,-0.2 4,-2.8 -2,-0.2 5,-0.1 0.888 123.6 49.2 -64.6 -44.5 59.7 24.7 70.8 115 123 A E H > S+ 0 0 131 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.954 107.4 55.6 -60.0 -46.1 58.7 22.1 73.2 116 124 A D H > S+ 0 0 44 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.916 109.7 49.0 -47.3 -49.7 55.2 22.3 71.8 117 125 A L H >< S+ 0 0 2 -4,-2.5 3,-1.4 2,-0.2 -1,-0.2 0.957 109.8 47.0 -58.9 -58.2 56.7 21.6 68.5 118 126 A R H >< S+ 0 0 128 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.896 109.9 55.2 -49.0 -50.2 58.9 18.6 69.5 119 127 A K H 3< S+ 0 0 162 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.700 115.9 39.2 -55.2 -24.9 55.9 17.1 71.3 120 128 A N T XX + 0 0 46 -3,-1.4 3,-1.5 -4,-1.0 4,-0.7 -0.175 68.8 139.0-123.3 43.8 54.0 17.4 68.2 121 129 A E T <4 + 0 0 91 -3,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.637 65.0 72.3 -61.0 -11.6 56.5 16.5 65.7 122 130 A D T 34 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.890 91.7 53.1 -73.3 -35.7 53.9 14.6 64.0 123 131 A K T <4 S+ 0 0 97 -3,-1.5 2,-0.3 -6,-0.2 -1,-0.2 0.714 94.8 86.8 -71.4 -15.6 52.1 17.6 62.8 124 132 A L S < S- 0 0 2 -4,-0.7 2,-0.1 -7,-0.2 -26,-0.0 -0.676 73.4-136.1 -87.2 143.7 55.2 19.0 61.2 125 133 A N > - 0 0 82 -2,-0.3 4,-1.9 -28,-0.1 5,-0.2 -0.198 38.1 -83.3 -83.9 179.5 56.1 18.1 57.8 126 134 A H H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.917 127.3 42.5 -50.7 -58.3 59.7 17.2 56.6 127 135 A H H > S+ 0 0 41 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.973 115.9 51.1 -54.9 -53.6 61.1 20.7 56.1 128 136 A Q H > S+ 0 0 14 1,-0.3 4,-1.4 -31,-0.2 -1,-0.3 0.775 109.2 52.5 -53.1 -31.1 59.4 21.8 59.2 129 137 A R H X S+ 0 0 99 -4,-1.9 4,-2.6 -3,-0.4 -1,-0.3 0.897 109.7 46.2 -72.1 -44.2 61.0 18.9 61.0 130 138 A I H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.948 108.6 55.1 -61.8 -48.2 64.3 19.7 59.8 131 139 A G H < S+ 0 0 1 -4,-3.1 -1,-0.2 -35,-0.5 -35,-0.2 0.829 111.0 47.9 -51.5 -39.7 63.9 23.3 60.7 132 140 A L H >< S+ 0 0 11 -4,-1.4 3,-1.3 -5,-0.3 -1,-0.2 0.933 108.3 52.5 -68.7 -47.2 63.0 22.2 64.2 133 141 A K H 3< S+ 0 0 131 -4,-2.6 -2,-0.2 1,-0.3 3,-0.2 0.838 120.6 34.5 -59.7 -34.4 65.9 19.8 64.5 134 142 A Y T 3X S+ 0 0 15 -4,-2.3 4,-3.4 -5,-0.2 -1,-0.3 0.077 74.9 126.3-110.6 26.2 68.3 22.6 63.5 135 143 A F H <> S+ 0 0 23 -3,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.865 80.4 43.6 -48.4 -43.7 66.7 25.6 65.0 136 144 A G H >> S+ 0 0 43 -4,-0.2 3,-2.2 -3,-0.2 4,-0.8 0.997 117.1 42.1 -63.7 -73.6 69.9 26.6 66.8 137 145 A D H >4 S+ 0 0 33 1,-0.3 3,-0.8 2,-0.2 -2,-0.2 0.805 109.8 66.4 -41.4 -38.3 72.4 25.9 64.0 138 146 A F H 3< S+ 0 0 39 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.851 102.3 40.3 -57.0 -40.8 69.9 27.6 61.8 139 147 A E H << S+ 0 0 103 -3,-2.2 2,-0.3 -4,-1.1 -1,-0.3 0.538 91.0 103.9 -87.3 -7.9 70.1 30.9 63.3 140 148 A K S << S- 0 0 104 -3,-0.8 -4,-0.0 -4,-0.8 0, 0.0 -0.598 74.1-121.8 -74.7 130.6 73.9 30.9 63.7 141 149 A R - 0 0 153 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.152 23.7-110.8 -66.2 163.4 75.7 33.0 61.1 142 150 A I E -A 180 0A 0 38,-5.8 38,-3.5 40,-0.1 2,-0.2 -0.826 26.2-140.2-101.9 111.3 78.4 31.5 58.8 143 151 A P E >> -A 179 0A 33 0, 0.0 3,-4.0 0, 0.0 4,-1.8 -0.492 16.8-125.0 -70.0 133.3 81.9 32.7 59.4 144 152 A R H 3> S+ 0 0 70 34,-3.1 4,-2.3 1,-0.3 5,-0.2 0.746 110.3 65.1 -38.3 -40.8 84.1 33.3 56.3 145 153 A E H 3> S+ 0 0 117 33,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.701 108.6 39.3 -57.3 -29.1 86.6 30.9 57.6 146 154 A E H <> S+ 0 0 27 -3,-4.0 4,-2.5 2,-0.2 3,-0.4 0.873 108.9 60.8 -85.9 -43.9 84.0 28.1 57.3 147 155 A M H X S+ 0 0 1 -4,-1.8 4,-3.4 1,-0.3 5,-0.2 0.851 103.1 51.5 -43.6 -49.8 82.7 29.4 54.0 148 156 A L H X S+ 0 0 76 -4,-2.3 4,-1.8 2,-0.2 -1,-0.3 0.855 110.6 48.0 -60.1 -44.3 86.1 28.9 52.4 149 157 A Q H X S+ 0 0 65 -4,-0.7 4,-1.7 -3,-0.4 -2,-0.2 0.930 114.6 46.9 -62.5 -48.8 86.4 25.3 53.6 150 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 3,-0.2 0.930 112.6 48.4 -53.5 -55.8 82.8 24.6 52.4 151 159 A Q H X S+ 0 0 55 -4,-3.4 4,-2.3 1,-0.3 5,-0.3 0.887 107.5 57.5 -56.7 -40.5 83.5 26.2 49.1 152 160 A D H X S+ 0 0 82 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.3 0.887 109.4 44.0 -61.6 -36.6 86.6 24.3 48.9 153 161 A I H X S+ 0 0 37 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.966 111.0 51.2 -74.0 -47.1 84.8 21.1 49.2 154 162 A V H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.886 111.1 48.9 -54.4 -44.2 82.0 21.8 46.9 155 163 A L H X S+ 0 0 58 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.858 108.2 52.6 -68.7 -37.4 84.3 22.9 44.2 156 164 A N H X S+ 0 0 84 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.905 113.5 44.3 -67.9 -36.8 86.5 19.9 44.4 157 165 A E H X S+ 0 0 27 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.936 110.3 51.5 -72.8 -46.2 83.6 17.5 44.1 158 166 A V H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 7,-0.3 0.909 110.2 53.2 -55.3 -41.1 81.7 19.2 41.3 159 167 A K H < S+ 0 0 131 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.936 105.4 53.2 -57.6 -49.2 85.0 19.1 39.4 160 168 A K H < S+ 0 0 128 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.822 107.7 49.7 -56.9 -38.1 85.4 15.4 39.9 161 169 A V H < S- 0 0 48 -4,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.835 134.4 -4.2 -72.6 -36.3 82.0 14.6 38.5 162 170 A D >< - 0 0 53 -4,-2.0 3,-1.8 -5,-0.2 -1,-0.3 -0.825 51.9-151.7-164.5 122.4 82.5 16.7 35.5 163 171 A S T 3 S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.638 99.6 65.4 -64.8 -18.3 85.4 18.9 34.6 164 172 A E T 3 S+ 0 0 109 -5,-0.1 -1,-0.3 -6,-0.1 2,-0.1 0.471 75.1 111.1 -84.3 -5.6 82.9 20.8 32.6 165 173 A Y < - 0 0 20 -3,-1.8 2,-0.5 -7,-0.3 24,-0.2 -0.437 53.2-152.9 -71.9 146.9 80.9 22.0 35.6 166 174 A I E -B 188 0B 52 22,-1.8 22,-1.7 -2,-0.1 2,-0.4 -0.977 17.7-179.5-126.5 114.9 80.9 25.6 36.4 167 175 A A E -B 187 0B 24 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.936 6.9-179.2-122.1 140.1 80.3 26.5 40.0 168 176 A T E -B 186 0B 30 18,-1.8 18,-3.9 -2,-0.4 2,-1.1 -0.993 22.2-145.1-142.3 131.9 80.1 29.8 41.8 169 177 A V E +B 185 0B 10 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.822 32.6 172.2 -98.2 101.3 79.5 30.8 45.3 170 178 A C + 0 0 2 14,-1.3 3,-0.4 -2,-1.1 14,-0.3 0.197 31.0 84.3 -86.0-151.7 77.6 33.9 45.1 171 179 A G S >> S- 0 0 14 1,-0.2 3,-0.6 2,-0.2 4,-0.5 -0.430 107.0 -49.8 85.1-168.1 76.0 35.7 48.0 172 180 A S H 3> S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.725 131.0 74.7 -76.7 -25.4 78.0 38.1 50.2 173 181 A F H 34 S+ 0 0 13 -3,-0.4 3,-0.3 1,-0.3 -1,-0.2 0.830 101.5 44.5 -51.6 -33.0 80.6 35.4 50.5 174 182 A R H <4 S+ 0 0 50 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.716 110.2 54.7 -78.0 -34.6 81.4 36.6 47.0 175 183 A R H < S- 0 0 63 -4,-0.5 2,-0.4 -3,-0.2 -2,-0.2 0.349 124.5 -95.5 -85.9 2.0 81.1 40.3 47.9 176 184 A G < + 0 0 30 -4,-0.8 147,-0.1 -3,-0.3 -4,-0.1 -0.604 65.1 161.5 119.7 -70.6 83.6 40.1 50.8 177 185 A A - 0 0 37 -2,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.731 41.1-137.1 11.3 124.3 81.5 39.6 53.9 178 186 A E S S+ 0 0 145 1,-0.1 -34,-3.1 -35,-0.1 2,-0.3 0.632 87.0 11.3 -71.8 -14.4 83.0 38.2 57.0 179 187 A S E -A 143 0A 36 -36,-0.3 2,-0.2 -35,-0.1 -1,-0.1 -0.990 67.9-160.9-159.4 151.7 80.1 35.9 57.6 180 188 A S E -A 142 0A 2 -38,-3.5 -38,-5.8 -2,-0.3 3,-0.1 -0.711 20.2-134.4-130.0-174.8 77.2 34.7 55.8 181 189 A G S S- 0 0 31 1,-0.4 65,-0.4 -40,-0.2 2,-0.3 0.764 82.7 -0.4-106.2 -39.9 73.8 33.1 56.4 182 190 A D S S- 0 0 72 63,-0.1 2,-0.7 -40,-0.1 -1,-0.4 -0.924 72.9-108.4-144.8 163.3 73.5 30.3 53.9 183 191 A M E - c 0 247B 1 63,-2.1 65,-2.6 -2,-0.3 2,-0.6 -0.908 31.8-167.8-102.5 113.8 75.7 29.0 51.1 184 192 A D E - c 0 248B 25 -2,-0.7 -14,-1.3 -14,-0.3 2,-0.5 -0.915 4.7-169.6-103.3 118.1 74.2 29.9 47.5 185 193 A V E -Bc 169 249B 1 63,-3.0 65,-2.0 -2,-0.6 2,-0.5 -0.896 10.2-150.4-110.1 126.2 75.9 28.0 44.7 186 194 A L E -Bc 168 250B 3 -18,-3.9 -18,-1.8 -2,-0.5 2,-0.4 -0.780 20.9-166.7 -93.5 133.9 75.3 28.9 41.0 187 195 A L E +Bc 167 251B 2 63,-3.1 65,-2.0 -2,-0.5 2,-0.3 -0.957 19.0 145.0-129.8 144.1 75.5 26.0 38.6 188 196 A T E -B 166 0B 0 -22,-1.7 -22,-1.8 -2,-0.4 5,-0.1 -0.858 19.2-162.4-152.6-178.4 75.8 25.5 35.0 189 197 A H > - 0 0 12 63,-0.5 3,-1.3 3,-0.4 65,-0.9 -0.878 34.5-112.6-169.5 151.4 77.4 23.3 32.5 190 198 A P T 3 S+ 0 0 61 0, 0.0 65,-0.1 0, 0.0 64,-0.1 0.851 114.5 61.3 -57.5 -44.5 78.0 23.8 28.7 191 199 A S T 3 S+ 0 0 61 63,-0.1 2,-0.4 -27,-0.1 11,-0.1 0.244 95.8 75.4 -68.5 7.3 75.6 21.1 27.9 192 200 A F < + 0 0 14 -3,-1.3 62,-3.6 60,-0.1 63,-0.4 -0.972 61.7 140.6-131.4 122.8 72.7 23.1 29.5 193 201 A T - 0 0 34 -2,-0.4 5,-0.1 60,-0.3 -5,-0.0 -0.995 61.4 -77.5-166.8 158.5 71.1 26.1 28.0 194 202 A S S S+ 0 0 71 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.525 129.0 20.3 -8.9 -57.6 68.1 28.3 27.1 195 203 A E S S+ 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.881 96.4 105.9 -87.1 -56.2 67.0 26.0 24.3 196 204 A S S S- 0 0 36 1,-0.2 2,-1.2 3,-0.0 -3,-0.3 0.040 79.5-120.2 -34.1 112.7 68.7 22.7 25.2 197 205 A T - 0 0 128 -5,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.546 51.2 -75.6 -74.9 107.0 66.0 20.6 26.5 198 206 A K - 0 0 92 -2,-1.2 -5,-0.1 1,-0.1 -1,-0.1 0.548 30.4-161.2 35.7-178.4 66.8 19.8 30.0 199 207 A Q - 0 0 78 25,-0.1 3,-0.3 -7,-0.1 4,-0.3 -0.165 8.5-179.2 162.3 86.4 69.1 17.5 31.6 200 208 A P S >> S+ 0 0 56 0, 0.0 3,-2.2 0, 0.0 4,-1.9 0.873 80.1 67.4 -66.1 -40.8 68.0 16.9 35.3 201 209 A K H 3> S+ 0 0 111 1,-0.3 4,-3.7 2,-0.2 5,-0.4 0.830 84.2 74.9 -46.1 -41.0 70.9 14.6 35.9 202 210 A L H 34 S+ 0 0 3 -3,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.823 108.4 29.4 -42.6 -45.6 73.1 17.7 35.5 203 211 A L H <> S+ 0 0 0 -3,-2.2 4,-2.2 -4,-0.3 3,-0.4 0.860 119.8 54.8 -83.6 -41.5 71.9 18.8 39.0 204 212 A H H X S+ 0 0 41 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.858 97.8 61.7 -62.5 -37.6 71.3 15.4 40.6 205 213 A Q H X S+ 0 0 71 -4,-3.7 4,-1.6 1,-0.2 -1,-0.2 0.882 109.1 41.3 -61.0 -37.8 74.7 14.0 39.9 206 214 A V H > S+ 0 0 2 -4,-0.4 4,-3.1 -3,-0.4 5,-0.3 0.903 108.7 58.6 -76.5 -40.0 76.4 16.5 42.0 207 215 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.883 107.9 49.7 -54.7 -35.6 73.8 16.4 44.7 208 216 A E H X S+ 0 0 108 -4,-2.0 4,-3.4 2,-0.2 3,-0.4 0.972 108.4 49.7 -62.2 -58.7 74.6 12.8 45.1 209 217 A Q H X S+ 0 0 29 -4,-1.6 4,-2.5 1,-0.3 5,-0.3 0.919 107.6 54.9 -46.6 -53.8 78.3 13.3 45.3 210 218 A L H <>S+ 0 0 1 -4,-3.1 5,-2.8 1,-0.3 6,-1.8 0.879 114.8 40.3 -54.9 -35.8 77.9 15.9 47.9 211 219 A Q H ><5S+ 0 0 71 -4,-1.4 3,-0.9 -3,-0.4 -1,-0.3 0.862 108.1 64.5 -80.5 -31.2 75.9 13.5 49.9 212 220 A K H 3<5S+ 0 0 145 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.980 110.8 35.5 -50.3 -69.1 78.3 10.7 48.9 213 221 A V T 3<5S- 0 0 54 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.475 121.0-112.1 -63.4 -4.0 81.1 12.3 50.7 214 222 A H T < 5S+ 0 0 139 -3,-0.9 -3,-0.2 -5,-0.3 -2,-0.1 0.736 82.9 118.5 81.2 24.9 78.7 13.6 53.5 215 223 A F < + 0 0 5 -5,-2.8 17,-2.2 -6,-0.2 2,-0.5 0.847 69.3 58.5 -87.2 -43.4 78.7 17.2 53.0 216 224 A I E +D 231 0B 5 -6,-1.8 15,-0.3 15,-0.3 -2,-0.2 -0.792 65.3 176.9 -87.4 130.3 75.2 17.4 52.2 217 225 A T E + 0 0 47 13,-5.5 2,-0.3 -2,-0.5 14,-0.2 0.691 56.3 6.4-105.6 -25.5 73.2 16.1 55.2 218 226 A D E -D 230 0B 26 12,-1.0 12,-1.4 0, 0.0 2,-0.4 -0.929 64.1-120.2-150.4 167.2 69.5 16.4 54.4 219 227 A T E +D 229 0B 35 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.966 22.2 174.8-117.6 127.1 67.2 17.5 51.6 220 228 A L E S- 0 0 17 8,-3.3 2,-0.4 1,-0.5 9,-0.2 0.866 76.8 -14.7 -92.7 -57.0 64.8 20.4 52.0 221 229 A S E -D 228 0B 54 7,-1.5 7,-3.1 -94,-0.1 -1,-0.5 -0.992 61.2-162.6-147.8 141.8 63.5 20.5 48.6 222 230 A K E +D 227 0B 98 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.765 20.4 156.8-135.8 95.1 64.8 18.8 45.5 223 231 A G - 0 0 36 3,-2.9 -2,-0.0 -2,-0.4 5,-0.0 -0.273 56.8 -93.6 -98.4-172.6 63.6 20.0 42.0 224 232 A E S S+ 0 0 98 1,-0.1 -21,-0.3 -2,-0.1 -20,-0.1 0.495 122.2 19.2 -84.4 -2.0 65.2 19.6 38.7 225 233 A T S S+ 0 0 55 1,-0.3 26,-2.5 -22,-0.1 2,-0.4 0.599 122.2 50.3-133.5 -25.9 66.8 22.9 38.9 226 234 A K E - E 0 250B 103 24,-0.2 -3,-2.9 2,-0.0 2,-0.4 -0.967 53.7-172.4-124.9 134.2 66.9 23.9 42.5 227 235 A F E -DE 222 249B 0 22,-2.8 22,-2.2 -2,-0.4 2,-0.5 -0.987 4.3-165.9-124.3 132.8 68.0 22.0 45.4 228 236 A M E +DE 221 248B 41 -7,-3.1 -8,-3.3 -2,-0.4 -7,-1.5 -0.971 32.8 142.1-113.2 119.0 67.5 23.3 49.0 229 237 A G E -DE 219 247B 0 18,-4.3 18,-2.2 -2,-0.5 2,-0.3 -0.651 46.2-108.0-142.9-157.9 69.5 21.4 51.6 230 238 A V E +DE 218 246B 0 -12,-1.4 -13,-5.5 16,-0.2 -12,-1.0 -0.999 33.8 178.6-139.2 130.8 71.7 21.1 54.7 231 239 A C E -DE 216 245B 0 14,-2.9 14,-2.6 -2,-0.3 -15,-0.3 -0.819 11.0-154.5-134.4 178.5 75.3 20.5 54.9 232 240 A Q - 0 0 25 -17,-2.2 3,-0.1 -2,-0.3 12,-0.1 -0.736 20.2-129.6-170.5 122.5 78.2 20.0 57.1 233 241 A L - 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