==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-APR-96 1ZQI . 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) . 18050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 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 . 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 . 15 4.6 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 37.6 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 2 1 1 3 2 0 0 1 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 0 218 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -20.0 67.1 58.1 56.9 2 10 A T + 0 0 126 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.264 360.0 68.9-163.6 -22.3 67.0 59.3 60.5 3 11 A L S S+ 0 0 61 1,-0.2 42,-0.2 2,-0.1 3,-0.1 0.842 116.9 27.3 -79.9 -26.2 64.8 62.4 60.6 4 12 A N S > S+ 0 0 9 35,-0.2 4,-2.6 1,-0.1 5,-0.2 0.337 91.9 116.3-112.0 6.4 61.8 60.4 59.9 5 13 A G H > + 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.732 69.3 49.1 -40.7 -52.7 63.1 57.2 61.4 6 14 A G H > S+ 0 0 37 -4,-0.3 4,-3.2 2,-0.2 5,-0.3 0.936 113.6 48.9 -60.6 -47.3 60.7 56.6 64.4 7 15 A I H > S+ 0 0 7 1,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.926 113.4 47.0 -59.3 -45.8 57.7 57.1 62.2 8 16 A T H X S+ 0 0 21 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.848 115.3 45.6 -67.7 -32.5 59.1 54.8 59.8 9 17 A D H X S+ 0 0 104 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.891 114.0 46.4 -74.3 -36.2 60.0 52.2 62.4 10 18 A M H X S+ 0 0 6 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.911 112.6 52.7 -63.7 -48.5 56.6 52.4 64.2 11 19 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.3 -2,-0.2 0.791 109.9 45.5 -57.1 -46.9 54.9 52.2 60.9 12 20 A T H X S+ 0 0 52 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.870 111.1 53.7 -71.4 -37.0 56.7 49.0 59.8 13 21 A E H X S+ 0 0 93 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.961 110.8 48.5 -57.5 -48.9 56.2 47.5 63.2 14 22 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 3,-0.3 0.946 114.6 43.9 -53.9 -57.8 52.5 48.3 62.6 15 23 A A H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.955 108.1 56.0 -54.0 -61.2 52.5 46.8 59.1 16 24 A N H X S+ 0 0 84 -4,-3.0 4,-1.8 1,-0.3 5,-0.4 0.766 107.6 54.4 -43.2 -29.4 54.4 43.6 60.0 17 25 A F H X>S+ 0 0 33 -4,-1.2 5,-1.2 -5,-0.3 4,-1.0 0.997 105.7 46.1 -72.0 -59.4 51.9 43.0 62.5 18 26 A E H <5S+ 0 0 8 -4,-1.6 6,-0.9 1,-0.3 -2,-0.2 0.896 113.5 53.5 -47.3 -45.5 48.7 43.2 60.3 19 27 A K H <5S+ 0 0 82 -4,-2.3 -1,-0.3 5,-0.2 -2,-0.2 0.951 123.4 21.2 -56.6 -54.4 50.5 41.0 57.8 20 28 A N H <5S+ 0 0 16 -4,-1.8 -3,-0.2 -3,-0.2 -2,-0.2 0.979 130.1 33.7 -82.0 -71.7 51.4 38.2 60.3 21 29 A V T <5S+ 0 0 29 -4,-1.0 -3,-0.2 -5,-0.4 2,-0.1 0.875 130.6 30.5 -56.8 -40.9 49.2 38.2 63.4 22 30 A S S + 0 0 26 -6,-0.9 4,-3.2 1,-0.2 5,-0.3 -0.313 17.2 165.5 -68.3 53.9 45.2 42.2 56.9 25 33 A I H > S+ 0 0 98 -2,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.759 78.1 50.9 -38.8 -36.2 47.2 42.2 53.6 26 34 A H H > S+ 0 0 149 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.959 110.9 42.0 -72.5 -56.0 45.6 45.6 52.9 27 35 A K H > S+ 0 0 111 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.912 117.5 53.2 -57.2 -40.6 46.2 47.5 56.1 28 36 A Y H X S+ 0 0 34 -4,-3.2 4,-1.4 1,-0.3 -1,-0.3 0.936 107.8 45.8 -60.7 -45.4 49.5 45.9 55.9 29 37 A N H X S+ 0 0 82 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.3 0.819 111.9 57.2 -69.4 -26.5 50.1 47.1 52.4 30 38 A A H >X S+ 0 0 32 -4,-2.5 4,-2.0 2,-0.2 3,-0.6 0.986 102.4 49.9 -65.8 -59.6 48.9 50.5 53.6 31 39 A Y H 3X S+ 0 0 14 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.848 111.0 54.0 -46.2 -41.1 51.4 50.9 56.5 32 40 A R H 3X S+ 0 0 133 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.863 104.8 47.4 -67.0 -42.7 54.2 50.1 54.0 33 41 A K H X S+ 0 0 35 -4,-3.0 4,-1.5 1,-0.2 3,-0.9 0.844 112.6 55.8 -70.2 -39.5 56.6 57.8 51.4 38 46 A I H 3< S+ 0 0 0 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 103.2 61.2 -61.1 -31.2 57.2 59.3 54.9 39 47 A A T 3< S+ 0 0 47 -4,-1.3 -1,-0.2 -5,-0.5 -2,-0.2 0.745 104.3 45.2 -64.3 -30.0 60.8 58.0 54.5 40 48 A K T <4 S+ 0 0 173 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.846 84.5 113.0 -82.4 -39.0 61.5 60.1 51.4 41 49 A Y < - 0 0 54 -4,-1.5 4,-0.1 1,-0.2 -37,-0.1 -0.205 64.1-141.5 -48.9 121.7 60.1 63.2 52.8 42 50 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.022 69.6 60.0 -68.9 6.8 62.8 65.7 53.3 43 51 A H S S- 0 0 106 -39,-0.0 2,-0.8 0, 0.0 -2,-0.0 -0.938 90.3 -90.1-141.4 170.1 61.7 67.3 56.5 44 52 A K - 0 0 110 -2,-0.3 2,-0.2 1,-0.1 -40,-0.1 -0.655 44.0-129.5 -77.4 111.7 60.9 66.5 60.1 45 53 A I - 0 0 5 -2,-0.8 3,-0.1 1,-0.2 -1,-0.1 -0.411 26.2-174.7 -62.3 123.0 57.2 65.6 60.2 46 54 A K + 0 0 147 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.576 61.3 1.8 -97.8 -9.3 56.0 67.8 63.0 47 55 A S S > S- 0 0 35 1,-0.2 4,-2.5 22,-0.0 -1,-0.2 -0.988 70.9-104.0-168.8 162.3 52.4 66.5 63.0 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-5.2 1,-0.2 5,-0.2 0.971 119.5 59.3 -53.9 -51.7 49.9 64.0 61.5 49 57 A A H > S+ 0 0 67 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.850 107.1 43.3 -41.8 -51.1 48.5 66.9 59.7 50 58 A E H >4 S+ 0 0 40 2,-0.2 3,-0.9 1,-0.2 -1,-0.3 0.918 118.0 46.1 -64.7 -42.7 51.7 67.6 58.0 51 59 A A H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.927 102.9 67.1 -58.8 -50.7 52.2 64.0 57.3 52 60 A K H 3< S+ 0 0 91 -4,-5.2 -1,-0.2 1,-0.3 -2,-0.2 0.585 82.0 71.2 -43.4 -32.5 48.8 63.7 56.2 53 61 A K T << S+ 0 0 167 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.464 86.5 101.5 -67.5 -5.2 49.3 65.8 53.1 54 62 A L S X S- 0 0 40 -3,-2.3 2,-0.7 1,-0.1 3,-0.5 -0.248 87.0-100.0 -79.2 169.3 51.2 62.9 51.9 55 63 A P T 3 S+ 0 0 94 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.785 111.1 17.5 -91.8 115.4 50.2 60.2 49.5 56 64 A G T 3 S+ 0 0 30 -2,-0.7 2,-1.2 1,-0.2 -22,-0.2 0.231 93.6 125.1 107.3 -10.4 49.1 57.2 51.4 57 65 A V < + 0 0 10 -3,-0.5 -1,-0.2 -6,-0.2 2,-0.1 -0.667 37.7 176.7 -91.2 99.0 48.7 59.1 54.5 58 66 A G > - 0 0 27 -2,-1.2 4,-2.5 -3,-0.1 5,-0.2 -0.154 47.2 -98.6 -87.8-176.8 45.3 58.7 55.8 59 67 A T H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.838 120.7 58.8 -74.7 -32.4 43.6 59.8 58.8 60 68 A K H > S+ 0 0 139 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.933 113.5 36.7 -60.7 -46.7 44.2 56.4 60.4 61 69 A I H >> S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 3,-1.0 0.934 112.5 56.8 -69.3 -53.7 48.0 56.7 60.1 62 70 A A H 3X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.3 -14,-0.2 0.869 105.9 54.8 -50.1 -36.2 48.2 60.6 60.8 63 71 A E H 3X S+ 0 0 135 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.3 0.921 105.7 49.8 -64.9 -39.2 46.5 59.8 63.9 64 72 A K H - 0 0 4 -2,-0.3 4,-3.5 1,-0.1 5,-0.1 -0.939 12.5-146.0-155.2 126.2 52.0 54.1 71.0 75 83 A R H > S+ 0 0 163 -2,-0.3 4,-4.0 2,-0.2 5,-0.2 0.988 101.5 51.4 -61.4 -55.5 49.5 51.9 72.9 76 84 A K H > S+ 0 0 67 1,-0.3 4,-2.6 2,-0.3 5,-0.3 0.868 113.3 46.6 -44.3 -45.9 48.6 49.7 70.0 77 85 A L H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.980 116.2 45.9 -64.1 -49.1 52.3 49.2 69.5 78 86 A E H X S+ 0 0 72 -4,-3.5 4,-1.5 1,-0.2 -2,-0.3 0.904 112.8 48.8 -58.4 -43.8 52.5 48.6 73.3 79 87 A K H X S+ 0 0 123 -4,-4.0 4,-2.9 2,-0.2 3,-0.4 0.951 114.1 45.1 -59.9 -52.5 49.6 46.3 73.4 80 88 A I H < S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.906 109.0 56.8 -55.6 -47.2 50.8 44.1 70.4 81 89 A R H < S+ 0 0 188 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.866 113.7 40.7 -54.0 -38.3 54.3 44.0 71.8 82 90 A Q H < S+ 0 0 138 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.927 87.7 113.8 -75.3 -50.9 52.8 42.5 75.0 83 91 A D X - 0 0 66 -4,-2.9 4,-3.2 1,-0.1 5,-0.3 0.096 54.4-154.8 -32.8 101.3 50.2 40.1 73.2 84 92 A D H > S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.810 91.0 48.9 -53.6 -31.1 51.1 36.6 73.9 85 93 A T H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.977 112.1 45.5 -72.5 -52.9 49.5 35.3 70.8 86 94 A S H > S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.887 112.8 53.6 -55.3 -38.8 51.0 37.7 68.5 87 95 A S H X S+ 0 0 52 -4,-3.2 4,-1.7 1,-0.2 -1,-0.3 0.880 105.7 54.3 -64.2 -37.5 54.2 37.1 70.2 88 96 A S H X S+ 0 0 11 -4,-1.5 4,-2.1 -5,-0.3 5,-0.3 0.827 106.6 50.7 -67.4 -31.0 53.8 33.4 69.6 89 97 A I H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.979 105.7 54.0 -71.1 -48.0 53.3 33.9 66.0 90 98 A N H < S+ 0 0 68 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.822 113.6 45.3 -49.7 -37.6 56.4 36.0 65.7 91 99 A F H >< S+ 0 0 60 -4,-1.7 3,-2.7 2,-0.2 4,-0.3 0.958 107.2 50.8 -71.6 -61.0 58.3 33.2 67.3 92 100 A L H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 6,-0.2 0.862 99.5 71.4 -49.9 -34.5 57.1 30.0 65.5 93 101 A T T 3< S+ 0 0 44 -4,-2.0 5,-0.3 1,-0.3 -1,-0.3 0.763 84.8 67.4 -53.3 -28.1 57.8 31.9 62.3 94 102 A R T < S+ 0 0 116 -3,-2.7 -1,-0.3 -4,-0.2 2,-0.2 0.654 78.9 95.9 -70.4 -15.3 61.6 31.6 63.0 95 103 A V S X S- 0 0 5 -3,-2.3 3,-1.6 -4,-0.3 2,-0.9 -0.470 92.2-108.4 -73.8 141.3 61.3 27.9 62.5 96 104 A S T 3 S+ 0 0 36 1,-0.2 35,-0.5 -2,-0.2 36,-0.2 -0.600 103.7 23.4 -79.8 119.6 62.2 27.1 59.0 97 105 A G T 3 S+ 0 0 33 -2,-0.9 2,-0.5 1,-0.4 -1,-0.2 0.455 95.9 106.2 111.6 3.1 59.2 26.2 57.1 98 106 A I < + 0 0 9 -3,-1.6 -1,-0.4 -5,-0.3 3,-0.0 -0.972 42.1 170.7-115.7 121.2 56.7 27.9 59.2 99 107 A G >> - 0 0 32 -2,-0.5 4,-2.4 -3,-0.1 3,-0.6 -0.652 54.3 -75.6-122.1 176.9 55.3 31.0 57.7 100 108 A P H 3> S+ 0 0 37 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.887 127.3 55.0 -44.8 -50.8 52.4 33.0 59.0 101 109 A S H 3> S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.894 113.4 40.6 -53.9 -45.5 49.7 30.7 57.9 102 110 A A H <> S+ 0 0 17 -3,-0.6 4,-3.2 2,-0.2 -1,-0.2 0.860 112.3 57.9 -72.6 -34.0 51.2 27.7 59.7 103 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.960 108.8 44.5 -57.6 -52.6 52.1 29.9 62.7 104 112 A R H X S+ 0 0 57 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.940 114.0 49.0 -56.5 -52.3 48.5 30.9 63.2 105 113 A K H X S+ 0 0 96 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.936 111.3 50.7 -54.5 -48.3 47.2 27.4 62.7 106 114 A F H <>S+ 0 0 1 -4,-3.2 5,-2.7 1,-0.2 4,-0.4 0.893 111.3 46.9 -57.4 -41.3 49.7 26.1 65.2 107 115 A V H ><5S+ 0 0 4 -4,-2.1 3,-1.4 3,-0.2 -1,-0.2 0.896 105.9 61.0 -66.0 -41.1 48.8 28.6 67.9 108 116 A D H 3<5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.900 104.5 46.5 -52.8 -45.2 45.3 27.9 67.2 109 117 A E T 3<5S- 0 0 108 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.536 126.0-105.2 -74.5 -9.9 46.0 24.4 68.3 110 118 A G T < 5S+ 0 0 40 -3,-1.4 2,-1.3 -4,-0.4 -3,-0.2 0.560 77.4 134.6 98.0 6.7 47.9 25.7 71.3 111 119 A I < + 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.705 14.5 147.6 -86.8 87.5 51.5 25.0 70.1 112 120 A K + 0 0 74 -2,-1.3 2,-0.3 -5,-0.1 -1,-0.2 0.503 50.6 55.7-107.0 3.2 53.2 28.2 71.0 113 121 A T S > S- 0 0 57 -3,-0.1 4,-3.7 1,-0.1 5,-0.2 -0.837 80.8-110.5-134.7 170.8 56.7 27.0 71.8 114 122 A L H > S+ 0 0 28 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.925 122.1 48.8 -60.0 -41.6 59.7 25.1 70.8 115 123 A E H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.855 108.8 53.5 -68.7 -32.0 58.9 22.5 73.2 116 124 A D H > S+ 0 0 41 1,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.980 106.0 53.2 -62.9 -51.3 55.4 22.4 72.0 117 125 A L H < S+ 0 0 1 -4,-3.7 -1,-0.3 1,-0.2 -2,-0.2 0.758 106.5 54.4 -52.2 -34.6 56.6 21.9 68.6 118 126 A R H >< S+ 0 0 123 -4,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.984 102.5 52.8 -63.5 -58.8 58.7 19.0 69.8 119 127 A K H 3< S+ 0 0 160 -4,-2.0 3,-0.2 1,-0.3 -1,-0.2 0.741 116.2 45.0 -47.5 -27.7 55.9 17.1 71.4 120 128 A N T >< + 0 0 38 -4,-1.2 3,-2.4 -5,-0.2 -1,-0.3 -0.114 61.8 138.1-115.8 41.6 54.1 17.3 68.2 121 129 A E G X S+ 0 0 97 -3,-2.0 3,-2.9 1,-0.3 -1,-0.2 0.874 70.3 69.0 -50.6 -36.3 56.6 16.6 65.5 122 130 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.720 92.0 58.3 -52.5 -27.5 53.9 14.6 63.8 123 131 A K G < S+ 0 0 85 -3,-2.4 -1,-0.3 -6,-0.2 2,-0.3 0.403 98.8 80.5 -84.0 -3.3 51.9 17.8 63.0 124 132 A L S < S- 0 0 7 -3,-2.9 2,-0.1 -4,-0.2 3,-0.0 -0.776 76.2-127.2-107.8 150.3 54.9 19.1 61.2 125 133 A N > - 0 0 84 -2,-0.3 4,-2.5 -28,-0.1 5,-0.3 -0.445 38.0 -94.1 -89.9 168.7 56.2 18.4 57.6 126 134 A H H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.907 126.3 49.0 -47.8 -56.7 59.7 17.3 56.6 127 135 A H H > S+ 0 0 44 1,-0.2 4,-2.8 93,-0.2 3,-0.5 0.953 115.2 45.3 -48.8 -56.5 60.9 20.9 56.0 128 136 A Q H > S+ 0 0 12 -31,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 109.5 54.5 -55.6 -39.5 59.5 22.0 59.3 129 137 A R H X S+ 0 0 93 -4,-2.5 4,-3.0 -3,-0.2 -1,-0.2 0.839 112.7 44.9 -62.4 -37.1 60.9 18.9 61.2 130 138 A I H X S+ 0 0 5 -4,-2.2 4,-2.3 -3,-0.5 -2,-0.2 0.969 110.3 50.3 -74.3 -49.7 64.3 19.8 59.8 131 139 A G H < S+ 0 0 1 -4,-2.8 -2,-0.2 -35,-0.5 -1,-0.2 0.849 114.9 49.5 -53.8 -33.6 64.0 23.5 60.6 132 140 A L H >< S+ 0 0 12 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.2 0.968 106.0 53.7 -68.2 -54.8 63.0 22.2 64.0 133 141 A K H 3< S+ 0 0 127 -4,-3.0 3,-0.2 1,-0.3 -2,-0.2 0.854 119.3 32.4 -48.5 -44.8 65.8 20.0 64.4 134 142 A Y T 3X S+ 0 0 20 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 -0.116 72.9 135.5-108.5 37.1 68.4 22.7 63.6 135 143 A F H <> S+ 0 0 24 -3,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.908 79.1 41.2 -48.7 -46.6 66.7 25.7 65.1 136 144 A G H >> S+ 0 0 39 -3,-0.2 3,-2.1 -4,-0.2 4,-1.0 0.996 115.9 46.4 -63.2 -67.2 69.9 26.8 66.8 137 145 A D H 34 S+ 0 0 38 1,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.783 111.1 54.5 -45.5 -42.3 72.4 26.1 63.9 138 146 A F H 3< S+ 0 0 44 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.755 105.7 51.2 -70.5 -22.4 70.1 27.7 61.4 139 147 A E H << S+ 0 0 95 -3,-2.1 -1,-0.2 -4,-0.7 -2,-0.2 0.823 94.9 96.6 -83.5 -20.6 70.0 30.8 63.4 140 148 A K S < S- 0 0 114 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.302 76.2-115.2 -67.3 139.2 73.9 31.0 63.7 141 149 A R - 0 0 139 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.226 22.6-122.2 -72.4 165.1 76.1 33.0 61.4 142 150 A I E -A 180 0A 0 38,-3.6 38,-3.1 40,-0.1 2,-0.4 -0.962 21.4-138.3-112.3 115.2 78.6 31.5 59.0 143 151 A P E >> -A 179 0A 43 0, 0.0 3,-4.9 0, 0.0 4,-1.7 -0.606 14.7-129.1 -76.7 128.3 82.1 32.6 59.5 144 152 A R H 3> S+ 0 0 65 34,-2.6 4,-2.8 -2,-0.4 5,-0.2 0.735 109.3 69.1 -40.0 -37.8 83.9 33.3 56.2 145 153 A E H 34 S+ 0 0 118 33,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.679 109.0 35.0 -55.8 -27.0 86.6 31.1 57.5 146 154 A E H <> S+ 0 0 27 -3,-4.9 4,-2.2 2,-0.2 -2,-0.3 0.627 108.5 64.1 -96.3 -32.5 84.1 28.3 57.1 147 155 A M H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.920 104.5 49.0 -55.5 -44.3 82.6 29.7 54.1 148 156 A L H X S+ 0 0 72 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.808 111.0 48.9 -64.0 -38.5 86.2 29.2 52.5 149 157 A Q H > S+ 0 0 63 -4,-0.3 4,-1.9 -5,-0.2 -1,-0.2 0.775 114.1 46.3 -76.0 -25.0 86.3 25.5 53.8 150 158 A M H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.901 111.6 49.7 -79.3 -44.9 82.8 24.8 52.4 151 159 A Q H X S+ 0 0 54 -4,-2.6 4,-2.5 -5,-0.3 5,-0.3 0.922 109.6 55.8 -58.4 -41.2 83.5 26.5 49.0 152 160 A D H X S+ 0 0 88 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.981 109.3 42.2 -59.5 -55.8 86.5 24.4 48.9 153 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.922 113.8 54.8 -58.8 -39.7 84.8 21.1 49.4 154 162 A V H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 3,-0.2 0.961 105.6 47.7 -57.5 -57.3 82.1 22.1 47.0 155 163 A L H X S+ 0 0 56 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.779 108.8 60.7 -57.1 -28.1 84.2 23.0 44.1 156 164 A N H X S+ 0 0 78 -4,-1.5 4,-2.9 -5,-0.3 -1,-0.2 0.956 107.8 37.3 -70.0 -49.4 86.0 19.8 44.5 157 165 A E H X S+ 0 0 20 -4,-2.0 4,-2.7 -3,-0.2 5,-0.2 0.917 113.5 59.4 -69.2 -32.0 83.3 17.3 44.1 158 166 A V H X S+ 0 0 8 -4,-2.1 4,-1.9 1,-0.3 7,-0.2 0.970 111.4 41.0 -49.3 -60.6 81.8 19.5 41.4 159 167 A K H < S+ 0 0 138 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.881 111.0 58.5 -55.9 -44.2 84.9 19.1 39.5 160 168 A K H < S+ 0 0 135 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.954 107.7 45.3 -52.2 -55.5 85.2 15.4 40.4 161 169 A V H < S- 0 0 57 -4,-2.7 2,-0.4 1,-0.2 -2,-0.2 0.959 136.6 -7.2 -52.0 -62.6 81.9 14.5 38.9 162 170 A D >< - 0 0 46 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 -0.995 54.3-151.0-142.3 133.7 82.3 16.4 35.7 163 171 A S T 3 S+ 0 0 80 -2,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.520 92.4 72.8 -77.2 -11.2 85.1 18.8 34.9 164 172 A E T 3 S+ 0 0 116 -6,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 0.573 76.1 99.8 -80.2 -15.0 82.8 20.7 32.6 165 173 A Y < - 0 0 16 -3,-0.9 2,-0.3 -7,-0.2 24,-0.2 -0.199 54.5-156.8 -70.6 164.0 80.7 22.3 35.5 166 174 A I E -B 188 0B 56 22,-1.2 22,-1.2 2,-0.0 2,-0.3 -0.959 13.2-178.7-145.8 119.7 81.2 25.8 36.7 167 175 A A E -B 187 0B 21 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.899 5.5-172.9-122.7 151.6 80.1 26.7 40.2 168 176 A T E -B 186 0B 31 18,-1.0 18,-2.1 -2,-0.3 2,-1.0 -0.993 22.2-137.2-144.3 133.1 80.2 30.0 41.9 169 177 A V E -B 185 0B 4 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.830 35.5-168.9 -95.6 111.2 79.4 30.8 45.4 170 178 A C E +B 184 0B 2 14,-2.3 14,-0.5 -2,-1.0 3,-0.3 -0.026 32.9 58.0 -84.1-170.6 77.4 34.0 45.3 171 179 A G S >> S- 0 0 16 93,-0.6 3,-1.2 90,-0.2 4,-0.9 -0.282 107.4 -32.0 88.1-171.6 76.2 36.5 47.9 172 180 A S T 34 S+ 0 0 32 1,-0.3 5,-0.3 2,-0.2 3,-0.3 0.767 131.7 68.2 -53.3 -30.8 77.9 38.7 50.4 173 181 A F T >4 S+ 0 0 10 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.935 102.0 43.8 -52.6 -47.7 80.5 35.8 50.6 174 182 A R T <4 S+ 0 0 51 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.671 110.9 55.9 -68.3 -27.0 81.5 36.7 47.1 175 183 A R T 3< S- 0 0 61 -4,-0.9 -1,-0.3 -3,-0.3 2,-0.2 0.261 125.5 -95.9 -92.3 8.9 81.5 40.4 48.0 176 184 A G < + 0 0 32 -3,-1.2 -3,-0.1 -4,-0.2 -4,-0.1 -0.439 61.1 168.7 113.8 -57.9 83.9 40.0 51.0 177 185 A A - 0 0 32 -5,-0.3 -1,-0.2 -2,-0.2 -33,-0.1 0.662 39.8-133.7 7.4 123.9 81.6 39.7 54.0 178 186 A E S S+ 0 0 156 1,-0.2 -34,-2.6 -35,-0.1 2,-0.3 0.835 88.4 2.6 -61.1 -29.9 83.1 38.6 57.3 179 187 A S E -A 143 0A 40 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.989 65.8-155.2-154.8 161.0 80.2 36.2 57.7 180 188 A S E -A 142 0A 3 -38,-3.1 -38,-3.6 -2,-0.3 3,-0.1 -0.891 23.6-128.8-138.9 166.0 77.2 35.0 56.0 181 189 A G S S- 0 0 37 -2,-0.3 65,-0.4 1,-0.2 2,-0.3 0.748 84.2 -24.7 -83.0 -35.0 73.8 33.4 56.6 182 190 A D S S- 0 0 68 -40,-0.1 2,-0.6 63,-0.1 -1,-0.2 -0.986 73.1 -86.1-169.4 166.4 74.0 30.4 54.3 183 191 A M E - c 0 247B 1 63,-2.4 65,-2.4 -2,-0.3 2,-0.8 -0.743 27.0-164.7-102.5 138.3 75.6 29.4 51.2 184 192 A D E -Bc 170 248B 29 -2,-0.6 -14,-2.3 -14,-0.5 2,-0.8 -0.752 6.2-174.4-106.1 91.9 74.4 30.1 47.7 185 193 A V E -Bc 169 249B 3 63,-2.0 65,-1.7 -2,-0.8 2,-0.5 -0.663 9.1-158.5 -89.4 109.7 76.0 28.1 44.9 186 194 A L E -Bc 168 250B 4 -18,-2.1 -18,-1.0 -2,-0.8 2,-0.3 -0.618 20.6-165.2 -78.9 122.7 75.0 29.1 41.2 187 195 A L E +B 167 0B 1 63,-2.5 2,-0.3 -2,-0.5 -20,-0.2 -0.783 14.1 165.0-112.3 161.6 75.6 26.2 39.0 188 196 A T E -B 166 0B 0 -22,-1.2 -22,-1.2 -2,-0.3 5,-0.1 -0.992 17.4-159.5-162.8 165.4 75.8 25.7 35.2 189 197 A H B > -f 253 0C 13 63,-0.9 3,-1.3 3,-0.5 65,-1.2 -0.997 25.2-133.9-150.2 148.4 76.9 23.5 32.4 190 198 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.899 108.9 64.3 -67.4 -39.6 77.6 24.1 28.7 191 199 A S T 3 S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.1 -27,-0.0 0.214 103.2 62.8 -67.5 13.8 75.5 21.2 27.8 192 200 A F < + 0 0 17 -3,-1.3 62,-4.2 60,-0.1 -3,-0.5 -0.844 60.3 133.3-153.3 110.5 72.6 23.3 29.3 193 201 A T - 0 0 31 60,-0.4 5,-0.3 -2,-0.3 61,-0.1 -0.942 69.8 -56.2-149.4 163.9 71.3 26.6 28.1 194 202 A S S S+ 0 0 64 -2,-0.3 4,-0.1 1,-0.2 60,-0.0 0.497 130.4 18.4 -7.0 -61.0 68.0 28.3 27.2 195 203 A E S S+ 0 0 151 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.956 88.4 105.4 -87.6 -58.7 66.8 25.7 24.7 196 204 A S S S- 0 0 42 1,-0.2 2,-2.6 3,-0.0 -3,-0.2 0.004 87.5-112.1 -32.3 92.3 68.7 22.5 25.3 197 205 A T - 0 0 133 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.014 50.7 -94.6 -33.4 57.2 65.9 20.6 27.0 198 206 A K - 0 0 98 -2,-2.6 -5,-0.1 -5,-0.3 27,-0.1 0.127 20.8-136.9 57.1-176.2 67.3 20.3 30.4 199 207 A Q >> - 0 0 78 25,-0.2 3,-2.3 -7,-0.1 4,-0.6 -0.318 15.1-171.2 175.9 74.1 69.3 17.5 31.9 200 208 A P H 3> S+ 0 0 48 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.736 85.6 66.8 -49.2 -27.7 67.8 17.1 35.4 201 209 A K H 3> S+ 0 0 130 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.920 83.8 73.9 -63.9 -39.0 70.6 14.8 36.1 202 210 A L H <> S+ 0 0 2 -3,-2.3 4,-0.8 1,-0.3 -1,-0.2 0.838 106.8 34.3 -38.8 -46.3 72.9 17.7 35.8 203 211 A L H X S+ 0 0 0 -4,-0.6 4,-1.9 -3,-0.4 -1,-0.3 0.936 117.3 53.6 -76.3 -42.3 71.7 18.9 39.1 204 212 A H H X S+ 0 0 46 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.868 100.1 62.0 -55.8 -47.1 71.2 15.4 40.6 205 213 A Q H X S+ 0 0 64 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.892 108.8 40.1 -47.6 -57.9 74.6 14.2 39.9 206 214 A V H X S+ 0 0 2 -4,-0.8 4,-2.4 -5,-0.3 5,-0.2 0.865 112.0 53.3 -66.4 -41.9 76.2 16.8 42.0 207 215 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.3 -1,-0.2 0.915 110.1 51.7 -60.1 -37.7 73.8 16.7 44.9 208 216 A E H X S+ 0 0 130 -4,-2.7 4,-2.2 2,-0.2 -1,-0.3 0.828 108.3 50.9 -64.7 -35.2 74.4 13.1 44.9 209 217 A Q H >X S+ 0 0 30 -4,-1.3 4,-1.2 -5,-0.2 3,-0.5 0.999 107.6 50.5 -63.9 -61.3 78.1 13.7 45.1 210 218 A L H 3<>S+ 0 0 1 -4,-2.4 5,-3.9 1,-0.3 6,-1.2 0.740 115.0 45.9 -43.9 -37.1 78.0 16.1 48.0 211 219 A Q H ><5S+ 0 0 82 -4,-1.5 3,-2.4 -5,-0.2 -1,-0.3 0.869 100.8 65.2 -72.7 -45.1 75.9 13.6 49.9 212 220 A K H <<5S+ 0 0 152 -4,-2.2 -2,-0.2 -3,-0.5 -1,-0.2 0.755 111.3 38.5 -48.5 -33.7 78.1 10.6 49.0 213 221 A V T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.210 117.6-108.9-104.0 5.3 80.7 12.3 51.0 214 222 A H T < 5S+ 0 0 140 -3,-2.4 18,-0.2 -5,-0.2 -3,-0.2 0.808 85.7 118.7 70.6 26.8 78.6 13.7 53.8 215 223 A F S > -f 189 0C 18 0, 0.0 3,-4.1 0, 0.0 4,-0.6 -0.465 34.2-130.9 -58.4 115.9 71.5 27.6 31.5 254 262 A K T 34 S+ 0 0 47 -62,-4.2 3,-0.4 -65,-1.2 4,-0.3 0.741 108.0 65.6 -40.2 -29.1 75.1 28.3 30.7 255 263 A D T 34 S+ 0 0 71 -63,-0.4 -1,-0.3 1,-0.2 50,-0.3 0.565 107.1 39.2 -77.2 0.9 73.8 31.0 28.5 256 264 A Q T X> S+ 0 0 37 -3,-4.1 4,-1.6 2,-0.1 3,-0.8 0.495 83.8 106.6-124.6 -2.9 72.5 32.9 31.6 257 265 A Y H >X S+ 0 0 2 -4,-0.6 4,-2.3 -3,-0.4 3,-1.9 0.920 75.5 45.8 -39.5 -90.7 75.2 32.3 34.1 258 266 A Y H 3> S+ 0 0 40 1,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.572 112.3 51.5 -35.3 -27.1 77.0 35.7 34.5 259 267 A C H <> S+ 0 0 6 -3,-0.8 4,-2.3 29,-0.2 -1,-0.3 0.869 114.8 42.3 -79.6 -39.5 73.8 37.7 34.7 260 268 A G H < S+ 0 0 63 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.836 109.4 51.5 -59.2 -56.9 72.9 39.7 40.2 264 272 A F H 3< S+ 0 0 66 -4,-2.8 -93,-0.6 1,-0.3 -1,-0.2 0.500 103.1 65.8 -66.2 -12.8 72.8 37.2 43.1 265 273 A T T 3< S+ 0 0 1 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.543 91.3 142.1 -86.8 -13.2 76.2 38.8 44.1 266 274 A G < - 0 0 5 -3,-1.6 2,-0.2 1,-0.2 -1,-0.2 -0.135 64.0-150.6 51.5-149.8 74.4 42.0 44.7 267 275 A S > - 0 0 11 59,-0.3 4,-2.7 -3,-0.1 5,-0.2 0.680 34.9-129.3 -75.0 169.6 74.5 44.1 46.6 268 276 A D H > S+ 0 0 132 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.873 111.2 40.7 -46.9 -44.7 70.9 44.9 46.4 269 277 A I H > S+ 0 0 72 57,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.894 110.2 54.3 -74.4 -41.4 72.1 48.5 45.8 270 278 A F H > S+ 0 0 0 56,-0.5 4,-2.7 55,-0.4 -2,-0.2 0.837 113.0 47.4 -57.3 -35.6 75.0 47.9 43.5 271 279 A N H X S+ 0 0 8 -4,-2.7 4,-3.8 2,-0.2 5,-0.2 0.975 110.8 46.9 -64.9 -62.9 72.6 46.0 41.4 272 280 A K H X S+ 0 0 147 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.910 116.4 49.0 -47.9 -48.9 69.9 48.6 41.3 273 281 A N H X S+ 0 0 92 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.925 112.4 43.6 -62.4 -47.7 72.5 51.1 40.6 274 282 A M H X S+ 0 0 2 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.938 115.4 52.0 -61.3 -42.8 74.2 49.3 37.8 275 283 A R H X S+ 0 0 69 -4,-3.8 4,-1.1 1,-0.2 3,-0.3 0.906 104.1 54.4 -57.2 -50.4 70.8 48.5 36.5 276 284 A A H X S+ 0 0 53 -4,-3.1 4,-0.7 1,-0.2 3,-0.4 0.887 110.4 49.9 -52.8 -41.2 69.6 52.1 36.5 277 285 A H H X S+ 0 0 40 -4,-1.8 4,-3.1 1,-0.2 3,-0.4 0.804 98.1 62.7 -68.2 -37.0 72.7 52.9 34.4 278 286 A A H <>S+ 0 0 0 -4,-1.7 5,-3.7 -3,-0.3 -1,-0.2 0.829 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