==== 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 15-DEC-95 9ICI . 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) . 17973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.4 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 . 23 7.0 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 . 120 36.7 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 0 1 1 1 2 2 1 0 1 2 0 1 1 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 0 216 0, 0.0 39,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -25.9 67.3 57.8 56.7 2 10 A T + 0 0 131 37,-0.1 4,-0.2 3,-0.0 3,-0.1 0.186 360.0 72.9-160.7 -8.7 67.4 58.8 60.3 3 11 A L S S+ 0 0 52 1,-0.2 42,-0.1 36,-0.2 4,-0.1 0.772 116.3 22.9 -84.3 -29.5 65.3 61.9 60.1 4 12 A N S > S+ 0 0 5 35,-0.2 4,-1.8 40,-0.1 -1,-0.2 -0.190 93.0 126.1-128.3 32.0 62.2 59.8 59.7 5 13 A G H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.1 0.945 71.4 37.5 -54.5 -69.3 63.6 56.8 61.2 6 14 A G H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.926 112.7 61.6 -53.3 -51.8 61.2 55.7 64.0 7 15 A I H > S+ 0 0 6 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.879 110.5 38.2 -45.5 -48.7 58.3 56.7 61.8 8 16 A T H X S+ 0 0 23 -4,-1.8 4,-1.0 1,-0.2 -1,-0.3 0.867 114.2 58.2 -74.1 -30.7 59.2 54.3 59.3 9 17 A D H >X S+ 0 0 99 -4,-2.0 4,-2.1 1,-0.2 3,-0.6 0.927 107.1 42.9 -61.1 -50.8 60.2 51.8 61.9 10 18 A M H 3X S+ 0 0 6 -4,-2.8 4,-3.6 1,-0.2 -1,-0.2 0.831 110.6 60.4 -62.2 -36.1 56.9 51.5 63.7 11 19 A L H 3X S+ 0 0 1 -4,-1.2 4,-1.5 -5,-0.4 -1,-0.2 0.694 107.9 44.4 -61.3 -31.7 55.2 51.5 60.3 12 20 A T H X S+ 0 0 0 -4,-1.5 4,-1.5 16,-0.3 3,-0.9 0.982 112.8 50.9 -60.1 -56.7 52.8 46.5 58.7 16 24 A N H 3X S+ 0 0 83 -4,-3.5 4,-1.7 1,-0.3 -2,-0.2 0.890 106.1 52.1 -47.6 -52.9 54.4 43.3 59.5 17 25 A F H 3<>S+ 0 0 38 -4,-3.1 5,-1.2 -5,-0.2 4,-0.4 0.834 105.0 55.5 -59.1 -32.9 52.2 42.3 62.2 18 26 A E H > + 0 0 25 -2,-1.3 4,-2.1 -6,-1.2 3,-0.6 -0.408 16.4 166.6 -95.3 56.7 45.4 41.5 56.9 25 33 A I H 3> S+ 0 0 92 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.753 74.5 48.9 -29.9 -56.7 47.3 41.9 53.6 26 34 A H H 3> S+ 0 0 149 2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.879 110.3 47.5 -57.3 -53.2 45.8 45.4 52.8 27 35 A K H <> S+ 0 0 121 -3,-0.6 4,-2.2 1,-0.3 -1,-0.2 0.861 118.4 45.1 -60.1 -35.8 46.4 47.1 56.2 28 36 A Y H < S+ 0 0 28 -4,-2.1 4,-0.4 1,-0.2 -2,-0.3 0.860 109.7 52.5 -72.2 -36.8 49.8 45.7 55.9 29 37 A N H X S+ 0 0 77 -4,-2.0 4,-1.0 -5,-0.3 -2,-0.3 0.727 110.6 51.3 -70.4 -24.3 50.0 46.8 52.4 30 38 A A H >X S+ 0 0 30 -4,-1.6 4,-2.0 1,-0.2 3,-0.7 0.962 101.7 57.3 -73.1 -61.3 49.0 50.2 53.7 31 39 A Y H 3X S+ 0 0 13 -4,-2.2 4,-1.0 1,-0.3 -16,-0.3 0.550 107.9 52.8 -43.6 -18.6 51.6 50.4 56.3 32 40 A R H 3> S+ 0 0 124 -4,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.845 102.2 46.9 -93.3 -45.9 54.2 50.0 53.8 33 41 A K H X S+ 0 0 37 -4,-4.1 4,-1.6 -3,-0.3 3,-0.9 0.941 112.6 51.4 -61.1 -56.7 56.8 57.3 51.2 38 46 A I H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 7,-0.2 0.583 99.8 69.1 -57.5 -19.4 57.6 58.8 54.5 39 47 A A H 34 S+ 0 0 40 -5,-0.5 -1,-0.2 -3,-0.2 -35,-0.2 0.931 107.3 35.3 -63.0 -50.7 61.0 57.2 54.2 40 48 A K H << S+ 0 0 172 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.1 0.856 82.8 120.7 -67.8 -49.7 62.1 59.5 51.4 41 49 A Y < - 0 0 44 -4,-1.6 4,-0.2 1,-0.2 10,-0.0 -0.035 59.4-145.5 -36.2 108.5 60.2 62.7 52.6 42 50 A P + 0 0 97 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.133 69.6 76.7 -72.0 22.1 63.2 65.0 53.0 43 51 A H S S- 0 0 114 -39,-0.0 2,-0.7 0, 0.0 -2,-0.0 -0.979 91.2-103.7-147.7 134.4 61.9 66.8 55.9 44 52 A K - 0 0 116 -2,-0.4 2,-0.2 1,-0.1 -40,-0.1 -0.380 42.4-130.0 -56.7 100.5 61.7 65.9 59.5 45 53 A I + 0 0 6 -2,-0.7 -1,-0.1 -4,-0.2 -38,-0.1 -0.362 30.5 178.0 -57.5 118.1 57.9 65.0 60.0 46 54 A K + 0 0 133 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.501 60.7 11.7-105.6 -6.2 56.6 67.0 63.0 47 55 A S S > S- 0 0 39 1,-0.1 4,-1.5 22,-0.0 -1,-0.2 -0.940 74.3-111.8-158.7 167.4 53.0 66.1 63.1 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-5.5 1,-0.2 5,-0.3 0.856 116.0 64.6 -75.0 -32.5 50.8 63.6 61.5 49 57 A A H > S+ 0 0 67 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.825 102.4 48.9 -51.0 -39.9 49.1 66.4 59.6 50 58 A E H >4 S+ 0 0 34 2,-0.2 3,-1.0 1,-0.1 -1,-0.3 0.936 115.0 43.6 -67.0 -51.7 52.4 67.0 57.9 51 59 A A H >< S+ 0 0 0 -4,-1.5 3,-4.6 1,-0.3 -2,-0.2 0.950 104.1 65.9 -56.5 -52.8 52.7 63.3 57.1 52 60 A K H 3< S+ 0 0 98 -4,-5.5 -1,-0.3 1,-0.3 -2,-0.2 0.699 84.1 72.7 -40.7 -30.9 49.1 63.2 56.1 53 61 A K T << S+ 0 0 153 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.789 86.9 102.6 -58.8 -23.4 50.0 65.5 53.2 54 62 A L S X S- 0 0 30 -3,-4.6 3,-0.8 -4,-0.2 2,-0.5 -0.081 84.3-110.3 -66.3 156.0 51.5 62.4 51.9 55 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.741 108.7 20.9 -83.6 128.4 50.4 60.0 49.3 56 64 A G T 3 S+ 0 0 32 -2,-0.5 2,-1.0 1,-0.2 -22,-0.3 0.188 96.2 117.0 95.6 -14.0 49.4 56.8 51.1 57 65 A V < + 0 0 7 -3,-0.8 -1,-0.2 -6,-0.2 2,-0.1 -0.758 41.4 175.6 -98.0 111.0 49.0 58.5 54.4 58 66 A G > - 0 0 23 -2,-1.0 4,-1.3 -3,-0.1 -4,-0.1 -0.075 47.3 -88.2 -89.8-165.4 45.6 58.3 55.6 59 67 A T H > S+ 0 0 82 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.770 121.8 52.5 -76.8 -38.3 43.9 59.3 58.8 60 68 A K H > S+ 0 0 132 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.931 108.3 49.4 -70.0 -46.5 44.6 56.1 60.6 61 69 A I H >> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 3,-0.9 0.946 111.9 47.2 -56.7 -50.9 48.2 56.1 59.9 62 70 A A H 3X S+ 0 0 9 -4,-1.3 4,-3.1 1,-0.3 5,-0.3 0.765 103.5 65.0 -58.4 -30.8 48.7 59.8 61.1 63 71 A E H 3X S+ 0 0 130 -4,-1.2 4,-1.5 2,-0.2 -1,-0.3 0.888 108.2 40.3 -57.3 -41.4 46.7 59.0 64.1 64 72 A K H - 0 0 2 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.919 12.3-142.8-158.6 128.0 52.5 53.5 70.6 75 83 A R H > S+ 0 0 151 -2,-0.3 4,-4.2 2,-0.2 5,-0.2 0.969 102.6 53.5 -60.5 -54.0 49.8 51.5 72.4 76 84 A K H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.877 114.7 45.7 -47.2 -40.0 49.1 49.1 69.5 77 85 A L H > S+ 0 0 19 2,-0.2 4,-3.0 3,-0.2 5,-0.4 0.992 112.3 47.0 -69.1 -56.5 52.8 48.5 69.6 78 86 A E H X S+ 0 0 75 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.924 116.7 46.7 -50.8 -45.8 53.1 48.1 73.4 79 87 A K H X S+ 0 0 121 -4,-4.2 4,-2.5 -5,-0.2 -2,-0.2 0.988 117.8 40.9 -59.7 -60.6 50.0 45.8 73.2 80 88 A I H < S+ 0 0 20 -4,-2.8 7,-0.3 1,-0.2 -2,-0.2 0.918 113.5 53.1 -46.2 -59.4 51.4 43.7 70.2 81 89 A R H < S+ 0 0 178 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.899 115.2 42.6 -41.8 -54.4 55.0 43.5 71.4 82 90 A Q H < S+ 0 0 141 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.957 92.5 100.6 -58.1 -63.3 53.6 42.2 74.7 83 91 A D X - 0 0 71 -4,-2.5 4,-2.2 -5,-0.2 3,-0.2 -0.075 59.0-150.2 -43.1 117.0 51.0 39.7 73.4 84 92 A D H > S+ 0 0 97 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.863 89.7 56.8 -50.1 -64.1 51.9 36.0 73.3 85 93 A T H > S+ 0 0 50 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.867 116.8 41.3 -42.8 -42.7 49.9 34.7 70.3 86 94 A S H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.963 113.5 51.1 -70.2 -49.4 51.7 37.2 68.3 87 95 A S H X S+ 0 0 48 -4,-2.2 4,-1.6 -7,-0.3 -2,-0.2 0.815 111.1 51.1 -54.0 -38.1 55.1 36.7 70.0 88 96 A S H X S+ 0 0 19 -4,-3.4 4,-1.9 2,-0.2 -1,-0.3 0.819 106.3 53.6 -71.7 -35.8 54.8 33.1 69.3 89 97 A I H X S+ 0 0 3 -4,-1.3 4,-0.9 -3,-0.4 -2,-0.2 0.871 110.4 45.6 -68.3 -39.6 54.0 33.5 65.7 90 98 A N H < S+ 0 0 68 -4,-2.0 4,-0.4 2,-0.1 -1,-0.2 0.895 113.5 53.4 -70.7 -37.6 57.0 35.5 65.0 91 99 A F H >< S+ 0 0 66 -4,-1.6 3,-2.8 -5,-0.3 -2,-0.2 0.980 106.0 45.2 -54.9 -72.1 59.0 33.1 67.0 92 100 A L H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.695 96.8 77.1 -44.9 -32.8 58.3 29.8 65.4 93 101 A T T 3< S+ 0 0 45 -4,-0.9 -1,-0.3 1,-0.3 5,-0.3 0.766 76.9 77.2 -54.3 -29.2 58.6 31.3 62.1 94 102 A R T < S+ 0 0 131 -3,-2.8 2,-0.3 -4,-0.4 -1,-0.3 0.653 71.5 99.0 -59.0 -17.8 62.4 31.2 62.6 95 103 A V S X S- 0 0 4 -3,-2.1 3,-2.7 -4,-0.2 2,-0.3 -0.550 88.4-112.3 -77.0 134.3 62.4 27.6 61.8 96 104 A S T 3 S+ 0 0 33 -2,-0.3 35,-0.3 1,-0.3 36,-0.2 -0.533 108.9 29.2 -65.7 126.1 63.4 26.9 58.4 97 105 A G T 3 S+ 0 0 32 -2,-0.3 2,-0.8 -4,-0.2 -1,-0.3 0.056 96.2 107.4 109.5 -21.7 60.4 25.6 56.8 98 106 A I < + 0 0 7 -3,-2.7 -1,-0.1 -5,-0.3 -3,-0.1 -0.831 40.2 170.7 -97.2 105.9 58.0 27.6 59.0 99 107 A G > - 0 0 33 -2,-0.8 4,-1.7 -3,-0.1 -4,-0.1 -0.255 54.4 -86.6 -95.3-173.1 56.3 30.4 57.3 100 108 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.699 120.8 63.6 -70.4 -21.8 53.4 32.4 58.9 101 109 A S H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.973 111.1 33.3 -65.1 -57.7 50.8 30.0 57.6 102 110 A A H > S+ 0 0 13 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.865 114.7 64.1 -63.8 -36.4 51.9 27.1 59.4 103 111 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.905 106.0 40.8 -50.4 -57.6 53.0 29.4 62.3 104 112 A R H X S+ 0 0 59 -4,-2.2 4,-1.5 1,-0.2 3,-0.3 0.948 114.5 56.3 -57.9 -50.2 49.5 30.6 63.1 105 113 A K H >X S+ 0 0 106 -4,-2.1 3,-1.3 1,-0.2 4,-1.0 0.918 105.0 48.2 -47.7 -59.5 48.3 27.1 62.5 106 114 A F H 3X>S+ 0 0 0 -4,-3.7 5,-4.3 1,-0.3 4,-1.0 0.846 109.6 55.7 -52.1 -36.0 50.6 25.5 65.1 107 115 A V H 3<5S+ 0 0 6 -4,-1.5 -1,-0.3 3,-0.3 -2,-0.2 0.843 98.9 59.4 -66.2 -32.5 49.6 28.1 67.5 108 116 A D H <<5S+ 0 0 131 -4,-1.5 -1,-0.2 -3,-1.3 -2,-0.2 0.781 111.0 40.2 -65.3 -31.3 46.1 27.2 67.1 109 117 A E H <5S- 0 0 107 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.528 127.8-106.1 -90.1 -15.6 46.8 23.7 68.3 110 118 A G T <5S+ 0 0 31 -4,-1.0 2,-1.2 -5,-0.3 3,-0.3 0.784 70.7 145.3 94.7 32.7 49.1 25.3 70.7 111 119 A I < + 0 0 8 -5,-4.3 -4,-0.2 1,-0.2 -1,-0.1 -0.543 22.7 137.5 -96.9 66.4 52.6 24.6 69.4 112 120 A K + 0 0 71 -2,-1.2 -20,-0.3 -5,-0.2 -1,-0.2 0.905 54.2 54.3 -76.3 -44.0 53.9 27.9 70.7 113 121 A T S > S- 0 0 63 -3,-0.3 4,-0.9 1,-0.1 -25,-0.0 -0.116 85.4-113.5 -82.4 179.6 57.3 26.8 72.2 114 122 A L H > S+ 0 0 34 2,-0.2 4,-0.9 1,-0.1 -1,-0.1 0.861 117.0 54.1 -83.8 -41.8 60.2 24.9 70.7 115 123 A E H >> S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 3,-1.1 0.899 103.2 60.7 -57.4 -39.1 59.8 21.8 72.8 116 124 A D H 3> S+ 0 0 38 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.932 100.9 53.4 -50.8 -50.0 56.2 21.9 71.5 117 125 A L H 3< S+ 0 0 2 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.723 108.3 51.9 -59.3 -24.7 57.7 21.5 68.1 118 126 A R H X< S+ 0 0 127 -3,-1.1 3,-1.5 -4,-0.9 -2,-0.2 0.941 107.1 46.1 -78.9 -51.1 59.5 18.6 69.4 119 127 A K H 3< S+ 0 0 146 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.658 116.4 53.9 -65.7 -15.1 56.7 16.5 70.9 120 128 A N T >< + 0 0 31 -4,-1.3 3,-1.3 -5,-0.4 4,-0.4 -0.023 62.0 127.9-112.7 36.3 55.0 17.3 67.7 121 129 A E G X + 0 0 90 -3,-1.5 3,-1.1 1,-0.3 -1,-0.2 0.762 69.8 65.4 -59.7 -25.1 57.4 16.2 65.1 122 130 A D G 3 S+ 0 0 127 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.872 97.2 57.7 -61.2 -35.8 54.7 14.2 63.4 123 131 A K G < S+ 0 0 85 -3,-1.3 2,-0.3 -6,-0.1 -1,-0.2 0.543 97.5 79.3 -67.2 -17.5 53.0 17.6 62.7 124 132 A L S < S- 0 0 6 -3,-1.1 2,-0.1 -4,-0.4 5,-0.0 -0.692 72.2-140.6 -97.9 149.5 56.1 18.8 60.9 125 133 A N > - 0 0 88 -2,-0.3 4,-0.5 -28,-0.1 5,-0.1 -0.218 42.6 -76.9 -93.2-172.3 57.1 17.9 57.3 126 134 A H H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.862 126.8 40.5 -54.3 -54.6 60.7 17.1 56.0 127 135 A H H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 115.1 53.2 -56.7 -58.0 62.2 20.6 55.8 128 136 A Q H > S+ 0 0 16 2,-0.3 4,-1.6 1,-0.3 -1,-0.2 0.527 106.8 54.1 -53.6 -22.9 60.6 21.6 59.0 129 137 A R H X S+ 0 0 103 -4,-0.5 4,-2.3 -3,-0.5 -1,-0.3 0.878 110.7 42.8 -82.4 -48.2 62.1 18.6 60.6 130 138 A I H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -2,-0.3 0.841 111.1 59.1 -67.0 -28.6 65.5 19.5 59.5 131 139 A G H >< S+ 0 0 1 -4,-2.2 3,-0.6 -35,-0.3 -2,-0.2 0.996 110.5 40.6 -57.4 -59.0 64.7 23.1 60.5 132 140 A L H >< S+ 0 0 9 -4,-1.6 3,-0.8 1,-0.3 -1,-0.2 0.823 112.3 58.5 -54.0 -39.0 64.0 22.0 64.0 133 141 A K H 3< S+ 0 0 126 -4,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.871 118.3 26.2 -64.2 -42.6 66.9 19.7 63.9 134 142 A Y T > S+ 0 0 34 -3,-0.2 3,-4.5 2,-0.2 4,-1.0 0.975 116.2 53.6 -72.8 -73.6 70.7 26.7 66.4 137 145 A D T 34 S+ 0 0 35 1,-0.3 109,-0.3 2,-0.2 -2,-0.2 0.632 106.0 57.4 -36.7 -19.4 73.3 25.9 63.6 138 146 A F T 3< S+ 0 0 38 -4,-1.5 -1,-0.3 -7,-0.2 -2,-0.2 0.819 101.5 51.1 -87.9 -25.0 71.0 27.6 61.3 139 147 A E T <4 S+ 0 0 99 -3,-4.5 2,-0.2 -4,-0.3 -2,-0.2 0.616 93.0 104.4 -80.6 -15.9 71.0 30.9 63.1 140 148 A K S < S- 0 0 92 -4,-1.0 2,-0.1 1,-0.1 -4,-0.0 -0.450 72.3-126.2 -73.0 133.5 74.6 30.9 63.1 141 149 A R - 0 0 141 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.460 25.5-120.2 -77.0 150.4 76.7 33.0 60.9 142 150 A I E -A 180 0A 0 38,-3.5 38,-1.8 -2,-0.1 2,-0.3 -0.886 20.9-132.8 -99.0 117.1 79.3 31.3 58.8 143 151 A P E >> -A 179 0A 39 0, 0.0 3,-2.9 0, 0.0 4,-1.2 -0.607 13.5-131.8 -74.4 130.3 83.0 32.4 59.4 144 152 A R H 3> S+ 0 0 60 34,-1.8 4,-2.3 -2,-0.3 5,-0.2 0.787 106.3 71.7 -39.4 -46.3 84.8 33.0 56.1 145 153 A E H 34 S+ 0 0 118 33,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.713 107.7 34.9 -40.0 -40.8 87.6 30.9 57.6 146 154 A E H <> S+ 0 0 29 -3,-2.9 4,-3.2 2,-0.2 5,-0.3 0.712 107.9 66.1 -86.5 -36.2 85.2 27.9 57.0 147 155 A M H X S+ 0 0 2 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.811 103.4 50.7 -55.3 -34.2 83.6 29.4 53.8 148 156 A L H X S+ 0 0 68 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.871 110.2 46.1 -73.8 -44.6 87.1 28.9 52.3 149 157 A Q H > S+ 0 0 66 -4,-0.5 4,-2.0 -5,-0.2 -2,-0.2 0.914 116.2 45.4 -68.7 -40.1 87.4 25.3 53.4 150 158 A M H X S+ 0 0 1 -4,-3.2 4,-3.3 2,-0.2 3,-0.3 0.979 113.4 48.5 -61.1 -56.2 84.0 24.4 52.2 151 159 A Q H X S+ 0 0 60 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.873 107.6 59.2 -48.8 -41.8 84.4 26.2 49.0 152 160 A D H < S+ 0 0 85 -4,-1.9 4,-0.5 1,-0.2 -1,-0.3 0.910 109.7 40.6 -49.8 -56.9 87.7 24.4 48.7 153 161 A I H >X S+ 0 0 32 -4,-2.0 3,-1.8 -3,-0.3 4,-1.5 0.895 108.7 58.1 -61.8 -53.5 86.1 21.1 48.9 154 162 A V H 3X S+ 0 0 3 -4,-3.3 4,-1.7 1,-0.3 -1,-0.2 0.817 101.4 59.4 -49.4 -36.1 83.2 21.8 46.7 155 163 A L H 3X S+ 0 0 56 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.3 0.724 103.9 49.3 -63.5 -31.0 85.5 22.8 44.0 156 164 A N H <> S+ 0 0 70 -3,-1.8 4,-5.4 -4,-0.5 -1,-0.2 0.877 111.4 42.8 -78.2 -50.5 87.2 19.4 43.8 157 165 A E H X S+ 0 0 23 -4,-1.5 4,-2.5 2,-0.3 5,-0.2 0.901 110.5 59.2 -67.0 -36.3 84.5 17.1 43.6 158 166 A V H X S+ 0 0 6 -4,-1.7 4,-1.3 -5,-0.3 7,-0.3 0.909 117.9 35.9 -52.3 -40.6 82.8 19.6 41.1 159 167 A K H < S+ 0 0 129 -4,-0.8 -2,-0.3 2,-0.2 -1,-0.2 0.916 107.6 62.1 -79.2 -48.6 85.9 18.9 39.3 160 168 A K H < S+ 0 0 125 -4,-5.4 -2,-0.2 1,-0.2 -3,-0.2 0.832 108.4 47.5 -50.5 -34.6 86.5 15.2 40.1 161 169 A V H < S- 0 0 55 -4,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.960 131.2 -8.0 -74.3 -51.2 83.2 14.4 38.4 162 170 A D < - 0 0 54 -4,-1.3 3,-0.5 -5,-0.2 -1,-0.3 -0.973 53.6-143.8-144.2 147.5 83.5 16.4 35.2 163 171 A S S S+ 0 0 85 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.648 97.7 69.3 -85.9 -16.7 86.1 18.8 34.2 164 172 A E S S+ 0 0 102 -5,-0.1 2,-1.1 2,-0.1 -1,-0.2 0.351 71.3 119.3 -77.4 -2.4 83.5 20.9 32.4 165 173 A Y - 0 0 14 -3,-0.5 2,-0.6 -7,-0.3 24,-0.2 -0.609 45.7-169.0 -78.4 102.9 82.0 21.8 35.7 166 174 A I E +B 188 0B 59 22,-1.7 22,-1.6 -2,-1.1 2,-0.4 -0.784 13.8 180.0 -89.8 119.2 82.3 25.6 36.2 167 175 A A E -B 187 0B 22 -2,-0.6 2,-0.4 20,-0.2 20,-0.2 -0.957 17.6-175.1-137.4 141.2 81.4 26.7 39.7 168 176 A T E -B 186 0B 34 18,-2.9 18,-3.5 -2,-0.4 2,-0.8 -0.976 21.1-149.0-131.1 132.1 81.2 29.8 41.8 169 177 A V E +B 185 0B 5 -2,-0.4 16,-0.2 16,-0.3 2,-0.1 -0.853 40.5 177.5 -89.4 113.0 80.5 30.4 45.4 170 178 A C + 0 0 3 14,-2.4 14,-0.5 -2,-0.8 3,-0.3 -0.150 28.0 66.6-102.9-159.4 78.8 33.7 45.0 171 179 A G S >> S- 0 0 12 90,-0.2 4,-0.9 1,-0.2 3,-0.9 -0.391 105.5 -23.3 82.2-158.7 77.1 36.0 47.5 172 180 A S G >4>S+ 0 0 31 1,-0.3 5,-2.6 2,-0.2 3,-1.1 0.919 133.5 57.3 -57.0 -49.0 78.8 38.0 50.3 173 181 A F G >45S+ 0 0 12 -3,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.770 101.7 60.2 -53.8 -25.7 81.9 35.8 50.6 174 182 A R G <45S+ 0 0 49 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.838 104.3 48.1 -68.8 -38.2 82.3 36.6 46.9 175 183 A R G <<5S- 0 0 65 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 -0.266 133.8 -92.5 -95.4 40.0 82.6 40.3 47.8 176 184 A G T < 5 + 0 0 39 -3,-0.9 -3,-0.3 1,-0.2 -2,-0.1 0.582 63.6 178.6 56.9 16.7 85.1 39.5 50.6 177 185 A A < - 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