==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 18-OCT-06 2ISP . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.A.SUCATO,T.G.UPTON,B.A.KASHEMIROV,V.MARTINEK,Y.XIANG, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.4 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 . 32 9.8 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 . 1 0.3 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 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 1 2 0 1 2 3 0 1 0 1 1 0 2 0 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 10 A T > 0 0 175 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -23.5 9.9 -15.3 12.8 2 11 A L T 3 + 0 0 89 1,-0.3 3,-0.1 36,-0.2 36,-0.1 0.842 360.0 17.9 -46.6 -40.9 10.9 -17.7 9.9 3 12 A N T 3> S+ 0 0 12 35,-0.1 4,-2.4 1,-0.1 -1,-0.3 -0.257 89.1 139.2-124.1 39.0 14.3 -15.9 9.9 4 13 A G H <> + 0 0 16 -3,-2.6 4,-2.5 1,-0.2 5,-0.3 0.850 65.3 56.5 -55.0 -40.6 13.9 -14.4 13.4 5 14 A G H > S+ 0 0 34 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.976 111.1 42.1 -56.4 -57.9 17.4 -15.1 14.5 6 15 A I H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.902 115.6 48.6 -56.2 -48.2 19.0 -13.2 11.6 7 16 A T H X S+ 0 0 21 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.887 109.5 51.5 -65.5 -38.4 16.5 -10.3 11.7 8 17 A D H X S+ 0 0 111 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.950 110.8 50.7 -60.8 -44.8 16.9 -9.8 15.5 9 18 A M H X S+ 0 0 7 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.904 110.2 48.1 -57.6 -45.2 20.7 -9.8 14.9 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 110.8 51.6 -65.2 -38.5 20.4 -7.2 12.2 11 20 A T H X S+ 0 0 60 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.929 107.7 51.8 -63.8 -44.3 18.2 -5.0 14.4 12 21 A E H X S+ 0 0 62 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.881 111.7 47.6 -59.8 -38.2 20.6 -5.2 17.3 13 22 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.868 111.3 51.6 -70.0 -36.3 23.4 -4.0 14.9 14 23 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.965 110.8 46.0 -64.6 -53.0 21.1 -1.3 13.6 15 24 A N H X S+ 0 0 65 -4,-3.2 4,-3.2 1,-0.2 5,-0.4 0.894 111.3 54.4 -58.7 -38.4 20.3 0.1 17.0 16 25 A F H X>S+ 0 0 23 -4,-1.9 5,-1.9 -5,-0.3 4,-1.8 0.933 108.9 46.6 -60.8 -47.1 24.0 -0.1 17.9 17 26 A E H <5S+ 0 0 7 -4,-2.2 6,-2.8 3,-0.2 5,-0.4 0.894 118.0 44.2 -62.5 -38.4 25.0 2.0 14.9 18 27 A K H <5S+ 0 0 66 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.959 124.0 29.9 -70.7 -54.3 22.2 4.5 15.7 19 28 A N H <5S+ 0 0 16 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.929 135.6 21.8 -74.8 -49.3 22.6 4.9 19.4 20 29 A V T <5S+ 0 0 12 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.940 132.9 34.4 -86.6 -55.7 26.3 4.2 20.0 21 30 A S S - 0 0 30 -6,-2.8 4,-2.0 1,-0.1 3,-0.5 -0.784 28.6-177.7-117.0 81.2 25.9 6.5 12.2 24 33 A I H > S+ 0 0 78 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.820 77.9 52.8 -50.1 -42.1 22.3 6.9 10.8 25 34 A H H > S+ 0 0 153 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 108.8 48.1 -66.5 -40.0 23.0 5.4 7.4 26 35 A K H > S+ 0 0 121 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.888 111.7 54.0 -65.0 -36.5 24.6 2.2 8.8 27 36 A Y H X S+ 0 0 32 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.965 111.5 42.5 -58.9 -54.7 21.5 2.1 11.0 28 37 A N H X S+ 0 0 33 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.800 109.7 58.4 -64.8 -29.9 19.1 2.3 8.0 29 38 A A H X S+ 0 0 54 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.958 109.6 43.7 -64.6 -48.5 21.2 -0.1 6.0 30 39 A Y H X S+ 0 0 24 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.881 112.5 52.9 -63.5 -39.1 20.7 -2.8 8.7 31 40 A R H X S+ 0 0 37 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.944 108.8 49.1 -61.3 -49.4 17.0 -2.0 9.1 32 41 A K H X S+ 0 0 88 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.929 112.1 48.0 -55.7 -49.2 16.4 -2.4 5.4 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 22,-0.3 -1,-0.2 0.912 112.0 50.2 -58.5 -44.7 18.2 -5.7 5.3 34 43 A A H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.930 112.6 47.7 -58.2 -46.5 16.2 -6.8 8.3 35 44 A S H X S+ 0 0 12 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.935 111.1 49.0 -60.8 -50.9 13.0 -5.8 6.6 36 45 A V H X S+ 0 0 19 -4,-3.1 4,-0.9 1,-0.2 -1,-0.2 0.877 115.0 45.1 -58.6 -39.7 13.8 -7.5 3.3 37 46 A I H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.831 106.2 58.6 -75.2 -33.8 14.7 -10.7 5.1 38 47 A A H < S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 110.7 44.8 -63.1 -30.9 11.6 -10.6 7.4 39 48 A K H < S+ 0 0 125 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.699 85.9 109.6 -85.2 -24.2 9.5 -10.6 4.3 40 49 A Y < - 0 0 44 -4,-0.9 4,-0.1 -5,-0.2 -37,-0.1 -0.393 65.0-144.7 -58.9 119.1 11.5 -13.4 2.5 41 50 A P S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.167 72.2 75.6 -74.8 18.0 9.2 -16.5 2.4 42 51 A H S S- 0 0 108 -5,-0.2 2,-0.9 -39,-0.0 -2,-0.1 -0.959 86.5-112.2-131.3 150.1 12.1 -19.0 2.9 43 52 A K - 0 0 157 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.711 47.0-122.0 -79.5 107.7 14.2 -20.1 5.8 44 53 A I - 0 0 4 -2,-0.9 3,-0.1 1,-0.1 -38,-0.1 -0.282 29.3-174.1 -56.4 130.9 17.6 -18.7 4.8 45 54 A K + 0 0 176 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.502 63.0 4.9-105.1 -8.0 20.3 -21.3 4.5 46 55 A S > - 0 0 39 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.982 68.1-107.0-169.6 160.2 23.3 -19.1 3.8 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 0.942 117.5 58.5 -56.2 -48.0 24.7 -15.6 3.4 48 57 A A H > S+ 0 0 67 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.910 104.3 49.3 -46.8 -54.3 24.9 -16.2 -0.3 49 58 A E H >4 S+ 0 0 31 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.877 113.5 48.8 -55.0 -38.3 21.1 -16.9 -0.5 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.4 -3,-0.4 6,-0.3 0.899 99.3 64.1 -70.0 -40.8 20.6 -13.7 1.5 51 60 A K H 3< S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.722 88.8 72.5 -56.5 -21.0 22.9 -11.5 -0.7 52 61 A K T << S+ 0 0 166 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.772 83.4 82.2 -65.3 -27.1 20.4 -12.2 -3.5 53 62 A L S X S- 0 0 25 -3,-2.4 3,-1.7 -4,-0.3 2,-0.4 -0.592 95.2-106.2 -81.7 141.9 17.9 -9.9 -1.8 54 63 A P T 3 S+ 0 0 103 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.537 107.6 34.6 -69.5 119.8 18.3 -6.1 -2.3 55 64 A G T 3 S+ 0 0 38 -2,-0.4 2,-0.7 1,-0.2 -22,-0.3 0.033 93.6 99.1 123.2 -24.3 19.8 -4.5 0.8 56 65 A V < + 0 0 7 -3,-1.7 -1,-0.2 -6,-0.3 2,-0.1 -0.861 51.1 169.4 -98.9 113.5 21.9 -7.5 1.7 57 66 A G > - 0 0 32 -2,-0.7 4,-1.6 -3,-0.1 5,-0.1 -0.233 51.5 -69.6-106.2-161.3 25.5 -6.9 0.7 58 67 A T H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.908 125.8 50.6 -59.3 -47.8 28.8 -8.6 1.3 59 68 A K H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.941 113.3 42.4 -59.1 -53.2 29.1 -7.6 5.0 60 69 A I H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.827 110.4 60.7 -65.5 -27.6 25.7 -8.8 6.1 61 70 A A H X S+ 0 0 10 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.909 106.6 44.8 -64.3 -43.1 26.2 -11.9 4.0 62 71 A E H >X S+ 0 0 117 -4,-1.9 4,-2.5 -3,-0.2 3,-0.5 0.955 111.6 51.6 -65.4 -50.4 29.3 -12.8 6.1 63 72 A K H 3X S+ 0 0 30 -4,-2.2 4,-2.7 1,-0.3 -1,-0.2 0.847 107.4 54.3 -55.9 -36.2 27.5 -12.1 9.4 64 73 A I H 3X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.3 0.860 107.8 49.4 -68.4 -33.8 24.7 -14.3 8.3 65 74 A D H - 0 0 4 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.994 8.7-151.9-131.6 125.0 27.8 -13.0 16.3 74 83 A R H > S+ 0 0 162 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.914 96.6 61.0 -61.0 -45.1 31.1 -12.0 17.9 75 84 A K H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 111.2 41.4 -49.6 -41.2 30.7 -8.3 17.0 76 85 A L H > S+ 0 0 4 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.884 109.8 56.1 -75.0 -41.2 27.5 -8.3 19.1 77 86 A E H X S+ 0 0 77 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.926 111.3 45.9 -56.4 -44.5 28.9 -10.4 21.9 78 87 A K H >X S+ 0 0 159 -4,-2.8 4,-1.3 1,-0.2 3,-0.8 0.943 111.7 50.4 -64.2 -48.6 31.7 -7.9 22.3 79 88 A I H 3< S+ 0 0 19 -4,-1.8 3,-0.5 -5,-0.3 7,-0.3 0.887 107.7 54.6 -58.0 -38.7 29.4 -4.9 22.1 80 89 A R H 3< S+ 0 0 109 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.792 108.6 48.9 -65.5 -27.3 27.2 -6.5 24.8 81 90 A Q H << S+ 0 0 144 -4,-1.1 2,-0.5 -3,-0.8 -1,-0.2 0.667 88.3 97.8 -85.0 -19.7 30.2 -6.7 27.1 82 91 A D X - 0 0 70 -4,-1.3 4,-2.3 -3,-0.5 5,-0.2 -0.596 63.7-154.3 -74.5 120.6 31.2 -3.1 26.5 83 92 A D H > S+ 0 0 118 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.916 90.1 50.0 -63.0 -47.0 29.9 -1.0 29.4 84 93 A T H > S+ 0 0 56 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.958 113.3 46.6 -58.4 -50.3 29.7 2.3 27.6 85 94 A S H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 113.8 48.6 -56.3 -47.8 27.8 0.8 24.7 86 95 A S H X S+ 0 0 47 -4,-2.3 4,-2.2 -7,-0.3 -1,-0.2 0.898 113.3 47.4 -60.8 -42.1 25.4 -1.0 27.0 87 96 A S H X S+ 0 0 19 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.971 112.8 47.7 -63.7 -53.7 24.8 2.1 29.0 88 97 A I H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.897 111.9 51.4 -54.5 -42.9 24.2 4.3 26.0 89 98 A N H < S+ 0 0 41 -4,-2.7 4,-0.2 -5,-0.2 -1,-0.2 0.918 111.5 46.7 -61.9 -45.5 21.9 1.7 24.5 90 99 A F H >< S+ 0 0 45 -4,-2.2 3,-2.3 1,-0.2 4,-0.2 0.972 111.4 49.1 -61.1 -56.3 19.8 1.4 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.3 6,-0.2 0.846 101.3 64.4 -53.6 -37.8 19.5 5.2 28.3 92 101 A T T 3< S+ 0 0 23 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.587 88.7 72.3 -64.0 -7.9 18.4 5.7 24.6 93 102 A R T < S+ 0 0 122 -3,-2.3 2,-0.4 -4,-0.2 -1,-0.3 0.582 76.6 90.3 -83.4 -10.9 15.3 3.6 25.5 94 103 A V S X S- 0 0 3 -3,-2.1 3,-2.1 -4,-0.2 2,-0.2 -0.731 92.9-109.8 -84.3 130.5 13.9 6.5 27.6 95 104 A S T 3 S+ 0 0 33 -2,-0.4 35,-0.4 1,-0.3 36,-0.2 -0.436 105.0 26.7 -63.8 127.5 11.7 8.7 25.4 96 105 A G T 3 S+ 0 0 32 -2,-0.2 2,-0.7 1,-0.2 31,-0.3 0.191 96.9 101.6 106.4 -16.5 13.4 12.0 24.9 97 106 A I < + 0 0 5 -3,-2.1 -1,-0.2 -6,-0.2 -3,-0.2 -0.888 50.0 175.5-104.9 107.1 16.9 10.7 25.4 98 107 A G > - 0 0 30 -2,-0.7 4,-2.4 -3,-0.1 5,-0.2 -0.210 50.2 -73.5 -96.5-168.3 18.6 10.2 22.0 99 108 A P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.888 129.1 46.4 -53.1 -46.1 22.2 9.2 21.1 100 109 A S H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.987 114.2 44.2 -63.5 -60.5 23.8 12.5 22.1 101 110 A A H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.885 113.0 53.9 -52.6 -41.5 22.0 12.9 25.5 102 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.931 109.7 46.3 -60.9 -45.7 22.7 9.3 26.3 103 112 A R H X S+ 0 0 87 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.883 113.5 49.9 -65.3 -37.6 26.4 9.6 25.7 104 113 A K H X S+ 0 0 117 -4,-2.5 4,-0.8 2,-0.2 3,-0.3 0.931 108.5 51.0 -68.1 -44.5 26.5 12.8 27.7 105 114 A F H ><>S+ 0 0 14 -4,-2.9 5,-2.1 1,-0.3 3,-1.4 0.925 108.2 53.2 -57.9 -43.2 24.7 11.4 30.7 106 115 A V H ><5S+ 0 0 13 -4,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.822 102.4 58.9 -61.0 -31.0 27.1 8.5 30.7 107 116 A D H 3<5S+ 0 0 127 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.718 106.4 49.5 -69.4 -20.3 30.0 11.0 30.8 108 117 A E T <<5S- 0 0 79 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.296 122.1-105.2-100.6 7.7 28.4 12.3 34.0 109 118 A G T < 5S+ 0 0 44 -3,-1.3 2,-1.1 1,-0.2 3,-0.2 0.445 81.2 131.4 84.3 -2.7 28.2 8.9 35.6 110 119 A I < + 0 0 6 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.755 20.2 134.3 -85.5 100.4 24.4 8.7 35.0 111 120 A K + 0 0 78 -2,-1.1 2,-0.2 -3,-0.1 -20,-0.2 0.505 48.9 56.5-126.2 -11.3 24.1 5.3 33.5 112 121 A T S > S- 0 0 62 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.747 84.1-105.3-124.6 173.2 21.2 3.4 35.1 113 122 A L H > S+ 0 0 45 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 123.8 53.4 -59.8 -35.7 17.5 3.7 35.9 114 123 A E H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 107.4 49.5 -66.2 -42.9 18.5 4.5 39.4 115 124 A D H 4 S+ 0 0 19 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.893 109.1 52.8 -64.8 -38.9 20.8 7.3 38.3 116 125 A L H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.888 107.9 51.1 -64.5 -39.2 18.1 8.8 36.1 117 126 A R H >< S+ 0 0 147 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.876 110.7 46.0 -67.7 -38.8 15.7 8.9 39.0 118 127 A K T 3< S+ 0 0 134 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.463 115.0 50.8 -83.6 0.3 18.0 10.7 41.4 119 128 A N T X + 0 0 30 -3,-0.7 3,-3.1 -4,-0.5 -1,-0.2 0.030 62.4 131.0-124.1 26.5 18.9 13.2 38.7 120 129 A E G X + 0 0 79 -3,-0.9 3,-2.3 1,-0.3 -1,-0.1 0.809 68.1 69.0 -48.6 -32.9 15.5 14.3 37.5 121 130 A D G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.796 95.6 56.0 -58.1 -26.4 16.8 17.8 37.8 122 131 A K G < S+ 0 0 93 -3,-3.1 2,-0.4 -6,-0.2 -1,-0.3 0.342 94.3 85.4 -89.3 7.8 19.0 17.0 34.9 123 132 A L S < S- 0 0 16 -3,-2.3 -26,-0.0 -4,-0.2 2,-0.0 -0.868 72.1-131.3-112.1 140.7 16.2 15.9 32.5 124 133 A N > - 0 0 85 -2,-0.4 4,-2.0 -28,-0.1 5,-0.1 -0.220 42.6 -89.1 -75.9 179.0 14.0 18.1 30.3 125 134 A H H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.941 125.3 47.5 -55.4 -54.9 10.2 17.8 30.4 126 135 A H H > S+ 0 0 42 1,-0.2 4,-2.6 93,-0.2 3,-0.4 0.952 113.7 46.8 -52.6 -56.1 10.0 15.1 27.7 127 136 A Q H > S+ 0 0 14 -31,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.825 108.7 58.4 -56.8 -32.4 12.7 13.0 29.2 128 137 A R H X S+ 0 0 126 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.916 109.3 42.0 -64.9 -43.5 11.1 13.4 32.5 129 138 A I H X S+ 0 0 12 -4,-2.1 4,-2.2 -3,-0.4 -2,-0.2 0.868 110.1 59.1 -72.3 -35.2 7.8 11.9 31.3 130 139 A G H < S+ 0 0 1 -4,-2.6 -35,-0.3 -35,-0.4 -2,-0.2 0.894 109.5 42.9 -59.5 -39.6 9.8 9.2 29.4 131 140 A L H >< S+ 0 0 7 -4,-1.9 3,-1.9 2,-0.2 4,-0.3 0.917 108.7 58.1 -71.8 -45.2 11.3 8.0 32.7 132 141 A K H 3< S+ 0 0 125 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.917 121.2 28.0 -49.8 -48.6 8.1 8.3 34.7 133 142 A Y T 3X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.019 82.5 129.3-104.3 26.9 6.5 5.8 32.2 134 143 A F T <4 S+ 0 0 29 -3,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.883 78.0 41.7 -48.6 -45.7 9.6 4.0 31.2 135 144 A G T >4 S+ 0 0 38 -4,-0.3 3,-1.3 -3,-0.3 4,-0.3 0.917 113.4 50.7 -70.7 -44.4 8.1 0.6 31.9 136 145 A D G >4 S+ 0 0 37 1,-0.3 3,-2.6 2,-0.2 -2,-0.2 0.927 103.1 58.2 -59.9 -47.6 4.7 1.3 30.4 137 146 A F G 3< S+ 0 0 47 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.566 99.9 62.4 -61.7 -6.3 6.1 2.6 27.1 138 147 A E G < S+ 0 0 101 -3,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.564 88.5 88.9 -92.9 -13.4 7.8 -0.8 26.8 139 148 A K S < S- 0 0 101 -3,-2.6 2,-0.1 -4,-0.3 -3,-0.0 -0.574 76.0-126.3 -87.0 149.7 4.5 -2.7 26.7 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 104,-0.0 -2,-0.1 -0.479 20.5-123.1 -86.5 163.7 2.5 -3.4 23.4 141 150 A I E -A 179 0A 0 38,-2.3 38,-2.3 -2,-0.1 40,-0.1 -0.941 21.5-131.2-112.0 116.6 -1.1 -2.4 23.1 142 151 A P E >> -A 178 0A 58 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.385 21.2-120.3 -63.9 143.0 -3.5 -5.2 22.2 143 152 A R H 3> S+ 0 0 58 34,-2.4 4,-2.2 1,-0.3 5,-0.2 0.838 113.7 63.2 -52.9 -34.0 -5.8 -4.3 19.3 144 153 A E H 3> S+ 0 0 147 33,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.899 106.3 43.7 -58.9 -39.6 -8.8 -4.8 21.6 145 154 A E H <> S+ 0 0 32 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.832 108.7 57.8 -73.5 -32.6 -7.5 -1.9 23.7 146 155 A M H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.855 104.4 53.5 -64.8 -33.6 -6.7 0.1 20.6 147 156 A L H X S+ 0 0 82 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.905 108.5 47.5 -68.9 -40.0 -10.4 -0.2 19.6 148 157 A Q H X S+ 0 0 66 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.898 113.6 48.8 -66.5 -39.1 -11.5 1.1 23.0 149 158 A M H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.900 109.9 52.3 -66.1 -39.9 -9.1 4.0 22.7 150 159 A Q H X S+ 0 0 52 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.935 108.3 50.8 -60.1 -47.5 -10.3 4.7 19.1 151 160 A D H X S+ 0 0 96 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.867 111.1 48.0 -60.3 -40.7 -13.9 4.8 20.3 152 161 A I H X S+ 0 0 34 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.966 113.8 46.1 -64.5 -54.9 -13.1 7.3 23.1 153 162 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.925 114.6 45.7 -56.6 -51.0 -11.1 9.6 20.8 154 163 A L H X S+ 0 0 59 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.955 116.2 45.7 -60.2 -47.9 -13.6 9.7 18.0 155 164 A N H X S+ 0 0 62 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.886 114.8 47.6 -63.3 -37.6 -16.5 10.2 20.3 156 165 A E H X S+ 0 0 16 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.931 113.0 48.0 -68.8 -43.9 -14.7 12.9 22.3 157 166 A V H X S+ 0 0 4 -4,-2.8 4,-2.0 -5,-0.3 3,-0.3 0.891 108.6 55.3 -61.7 -39.8 -13.6 14.7 19.1 158 167 A K H < S+ 0 0 130 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.852 103.7 55.4 -61.7 -36.4 -17.1 14.5 17.8 159 168 A K H < S+ 0 0 136 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.836 106.0 51.5 -67.0 -32.9 -18.4 16.3 20.9 160 169 A V H < S- 0 0 40 -4,-1.3 2,-0.3 -3,-0.3 -2,-0.2 0.968 136.8 -14.7 -67.6 -54.1 -16.0 19.2 20.3 161 170 A D >< - 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