==== 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 04-JAN-96 9ICR . 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) . 17831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.4 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 . 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 . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.0 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 2 1 2 2 0 0 2 1 0 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 . 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 -6.9 67.2 58.1 57.0 2 10 A T + 0 0 122 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.121 360.0 79.9-178.1 -9.0 66.9 59.2 60.7 3 11 A L S S+ 0 0 56 1,-0.2 42,-0.3 36,-0.1 36,-0.0 0.750 113.7 22.0 -85.4 -17.8 64.8 62.2 60.5 4 12 A N S > S+ 0 0 10 35,-0.1 4,-2.8 40,-0.1 5,-0.2 0.168 89.5 125.2-133.2 21.0 61.8 60.0 60.2 5 13 A G H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.855 72.2 42.9 -45.6 -63.5 63.1 56.7 61.8 6 14 A G H > S+ 0 0 36 2,-0.2 4,-4.1 1,-0.2 5,-0.4 0.964 116.3 51.0 -55.0 -51.3 60.6 55.9 64.6 7 15 A I H > S+ 0 0 9 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.917 113.1 43.7 -52.0 -51.6 57.8 56.8 62.3 8 16 A T H X S+ 0 0 17 -4,-2.8 4,-1.1 1,-0.2 -1,-0.3 0.846 118.4 47.1 -65.4 -33.2 59.0 54.6 59.6 9 17 A D H X S+ 0 0 94 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.954 109.4 47.2 -72.9 -50.1 59.8 52.0 62.1 10 18 A M H X S+ 0 0 4 -4,-4.1 4,-2.9 1,-0.3 -2,-0.2 0.929 112.2 55.7 -52.4 -46.4 56.6 51.9 64.2 11 19 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.4 -1,-0.3 0.793 107.5 49.1 -52.2 -40.2 54.8 51.8 60.8 12 20 A T H X S+ 0 0 60 -4,-1.1 4,-3.9 -3,-0.3 5,-0.3 0.997 109.5 48.0 -67.8 -60.1 56.8 48.9 59.9 13 21 A E H X S+ 0 0 72 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.823 116.8 48.2 -43.2 -38.5 56.0 46.9 63.2 14 22 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.3 0.961 111.9 45.6 -65.4 -56.5 52.5 47.8 62.6 15 23 A A H X S+ 0 0 4 -4,-2.8 4,-1.6 1,-0.2 3,-0.3 0.913 112.8 55.1 -52.5 -50.1 52.5 46.8 59.0 16 24 A N H X S+ 0 0 74 -4,-3.9 4,-2.7 1,-0.3 5,-0.3 0.906 104.6 48.3 -50.2 -56.6 54.2 43.6 60.0 17 25 A F H X>S+ 0 0 36 -4,-2.1 4,-2.4 -5,-0.3 5,-1.5 0.844 103.8 64.6 -57.4 -35.0 51.9 42.5 62.4 18 26 A E H <5S+ 0 0 6 -4,-1.6 6,-0.4 -3,-0.3 -1,-0.2 0.966 112.0 32.5 -54.3 -55.0 49.0 43.1 60.0 19 27 A K H <5S+ 0 0 85 -4,-1.6 -2,-0.2 5,-0.2 -1,-0.2 0.928 123.3 44.2 -70.1 -49.1 50.1 40.6 57.6 20 28 A N H <5S+ 0 0 24 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.892 128.8 20.5 -64.5 -46.1 51.7 38.0 60.1 21 29 A V T <5S+ 0 0 31 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.910 131.3 31.0 -90.5 -63.6 49.0 38.0 62.8 22 30 A S S + 0 0 24 -6,-0.4 4,-4.8 1,-0.2 5,-0.4 0.033 9.3 159.6 -37.1 59.7 45.4 42.2 56.8 25 33 A I H > S+ 0 0 98 -2,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.911 76.3 46.6 -55.9 -43.1 47.3 42.1 53.6 26 34 A H H > S+ 0 0 149 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.963 117.8 42.2 -61.4 -49.9 45.7 45.4 52.5 27 35 A K H > S+ 0 0 114 2,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.879 115.2 49.1 -60.5 -49.0 46.4 47.0 55.7 28 36 A Y H X S+ 0 0 35 -4,-4.8 4,-1.1 1,-0.3 -1,-0.2 0.932 110.1 50.9 -57.6 -47.8 49.7 45.6 56.0 29 37 A N H X S+ 0 0 77 -4,-2.6 4,-1.4 -5,-0.4 3,-0.3 0.846 104.5 61.2 -58.1 -36.3 50.4 46.7 52.5 30 38 A A H X S+ 0 0 31 -4,-1.6 4,-2.1 1,-0.2 3,-0.3 0.974 98.9 54.2 -59.1 -52.9 49.1 50.1 53.6 31 39 A Y H X S+ 0 0 14 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.777 105.7 58.5 -50.6 -32.6 51.9 50.5 56.3 32 40 A R H X S+ 0 0 157 -4,-1.1 4,-2.9 -3,-0.3 -1,-0.2 0.894 104.3 40.7 -66.6 -53.7 54.5 49.9 53.7 33 41 A K H X S+ 0 0 81 -4,-1.4 4,-3.1 -3,-0.3 -2,-0.2 0.964 117.4 56.5 -63.4 -41.0 54.0 52.5 51.1 34 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 5,-0.4 0.951 110.6 38.9 -53.8 -61.2 53.5 54.7 54.1 35 43 A A H X S+ 0 0 6 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.853 115.5 56.2 -60.1 -28.1 56.7 54.0 55.7 36 44 A S H X S+ 0 0 57 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.900 110.3 44.4 -65.5 -41.9 58.3 54.0 52.3 37 45 A V H >X S+ 0 0 33 -4,-3.1 4,-1.7 -3,-0.3 3,-0.7 0.935 112.2 47.3 -69.1 -47.3 57.0 57.4 51.6 38 46 A I H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.715 105.1 68.8 -62.9 -22.6 57.9 59.0 55.0 39 47 A A H 3< S+ 0 0 47 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.909 104.5 36.5 -59.4 -49.8 61.2 57.3 54.3 40 48 A K H << S+ 0 0 178 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.813 88.3 120.8 -74.5 -36.7 62.0 59.6 51.4 41 49 A Y < - 0 0 47 -4,-1.7 4,-0.1 1,-0.2 -38,-0.1 -0.084 58.5-145.0 -45.0 114.0 60.5 62.8 53.0 42 50 A P + 0 0 81 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.343 67.3 62.6 -57.9 -7.8 63.2 65.4 53.3 43 51 A H S S- 0 0 104 -5,-0.1 2,-1.0 -39,-0.0 -40,-0.0 -0.671 86.9 -92.6-128.5-175.8 61.9 66.9 56.5 44 52 A K - 0 0 125 -2,-0.2 2,-0.6 -40,-0.0 -40,-0.1 -0.793 40.1-139.4 -93.0 102.5 61.2 66.5 60.1 45 53 A I + 0 0 7 -2,-1.0 3,-0.1 -42,-0.3 -38,-0.1 -0.455 25.9 176.1 -64.1 112.8 57.6 65.5 60.4 46 54 A K + 0 0 151 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.525 59.7 17.2 -98.1 -5.7 56.3 67.5 63.3 47 55 A S > - 0 0 41 1,-0.2 4,-1.0 -3,-0.1 -1,-0.1 -0.994 67.6-115.6-159.8 167.9 52.8 66.4 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 3,-1.9 0.983 114.1 53.6 -66.6 -58.9 50.3 64.0 61.7 49 57 A A H 3> S+ 0 0 66 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.809 106.0 56.2 -45.9 -36.0 48.5 66.5 59.6 50 58 A E H 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.850 111.3 43.6 -65.2 -36.2 51.8 67.3 58.1 51 59 A A H X< S+ 0 0 0 -3,-1.9 3,-5.1 -4,-1.0 -2,-0.2 0.927 99.8 65.4 -75.1 -46.0 52.2 63.8 57.2 52 60 A K H 3< S+ 0 0 96 -4,-2.4 5,-0.3 1,-0.4 -1,-0.2 0.818 88.2 77.0 -42.3 -37.8 48.7 63.1 55.9 53 61 A K T 3< S+ 0 0 163 -4,-1.1 -1,-0.4 -5,-0.3 -2,-0.2 0.676 82.7 85.1 -48.6 -23.2 49.8 65.5 53.4 54 62 A L S X S- 0 0 31 -3,-5.1 3,-1.0 1,-0.1 2,-0.2 -0.468 90.0-106.0 -85.8 161.1 51.7 62.6 52.0 55 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.575 109.1 32.0 -80.4 146.6 50.4 60.1 49.6 56 64 A G T 3 S+ 0 0 30 -2,-0.2 2,-0.8 1,-0.2 -22,-0.2 0.216 100.9 110.5 88.5 -16.9 49.7 56.7 51.1 57 65 A V < + 0 0 10 -3,-1.0 -1,-0.2 -5,-0.3 2,-0.1 -0.800 40.9 160.3-105.7 107.9 48.9 58.7 54.2 58 66 A G > - 0 0 28 -2,-0.8 4,-2.3 -3,-0.1 5,-0.1 -0.349 53.0 -71.8-105.3-171.8 45.5 58.8 55.4 59 67 A T H > S+ 0 0 88 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.824 120.2 47.4 -47.9 -56.0 43.6 59.6 58.5 60 68 A K H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.873 114.2 44.7 -64.4 -43.0 44.4 56.5 60.6 61 69 A I H > S+ 0 0 14 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.940 112.3 53.5 -67.7 -43.2 48.0 56.5 60.1 62 70 A A H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.954 107.0 52.7 -53.2 -48.4 48.0 60.2 60.6 63 71 A E H X S+ 0 0 120 -4,-3.0 4,-1.6 1,-0.2 -1,-0.3 0.835 109.9 50.0 -54.4 -35.4 46.3 59.5 63.9 64 72 A K H X S+ 0 0 35 -4,-1.5 4,-2.3 -3,-0.3 5,-0.3 0.944 105.5 52.3 -70.8 -50.1 49.0 57.1 64.7 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.835 107.0 59.7 -57.2 -30.6 51.9 59.3 64.0 66 74 A D H X S+ 0 0 66 -4,-2.1 4,-4.8 -5,-0.3 5,-0.2 0.991 106.6 39.9 -60.3 -61.7 50.2 61.7 66.2 67 75 A E H X S+ 0 0 69 -4,-1.6 4,-2.3 1,-0.3 6,-0.5 0.796 118.1 51.1 -55.7 -35.6 50.1 59.6 69.4 68 76 A F H < S+ 0 0 54 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.951 115.5 40.7 -69.5 -47.8 53.5 58.4 68.6 69 77 A L H < S+ 0 0 56 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.982 116.4 48.4 -62.8 -56.2 54.8 61.9 68.1 70 78 A A H < S+ 0 0 89 -4,-4.8 2,-0.3 -5,-0.2 -1,-0.2 0.864 126.6 22.6 -51.2 -42.3 52.9 63.2 71.0 71 79 A T S < S- 0 0 66 -4,-2.3 2,-0.9 2,-0.4 -1,-0.1 -0.974 82.2-113.5-130.9 144.2 54.2 60.3 73.3 72 80 A G S S+ 0 0 74 -2,-0.3 2,-0.3 -3,-0.0 -4,-0.1 0.271 98.0 44.6 -59.5 20.1 57.2 57.9 73.1 73 81 A K - 0 0 85 -2,-0.9 -2,-0.4 -6,-0.5 2,-0.3 -0.926 68.4-135.3-154.0 177.3 54.8 55.1 72.5 74 82 A L > - 0 0 3 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 -0.978 18.0-142.8-140.7 122.3 51.7 53.9 70.8 75 83 A R H >> S+ 0 0 175 -2,-0.3 4,-2.7 1,-0.2 3,-0.6 0.961 101.7 48.6 -49.9 -64.4 48.9 51.9 72.7 76 84 A K H 3> S+ 0 0 75 1,-0.3 4,-1.5 2,-0.3 -1,-0.2 0.751 111.9 49.6 -47.5 -34.7 48.1 49.5 70.0 77 85 A L H 3> S+ 0 0 3 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.871 112.8 49.2 -74.9 -35.6 51.8 48.7 69.5 78 86 A E H << S+ 0 0 83 -4,-2.0 -2,-0.3 -3,-0.6 4,-0.3 0.853 107.2 52.4 -70.0 -34.6 52.0 48.3 73.3 79 87 A K H X S+ 0 0 137 -4,-2.7 4,-1.9 1,-0.2 3,-0.4 0.892 113.3 46.8 -65.8 -39.1 49.0 46.0 73.3 80 88 A I H < S+ 0 0 20 -4,-1.5 7,-0.2 -5,-0.2 -2,-0.2 0.831 100.9 61.9 -70.4 -42.2 50.8 43.8 70.5 81 89 A R T < S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.1 0.556 115.4 38.3 -66.5 -6.0 54.4 43.6 72.1 82 90 A Q T 4 S+ 0 0 142 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.1 0.863 84.6 104.8 -99.9 -71.3 52.6 41.8 74.9 83 91 A D X - 0 0 69 -4,-1.9 4,-2.5 1,-0.1 5,-0.2 0.263 59.8-146.5 -20.8 112.7 49.9 39.6 73.5 84 92 A D H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 94.2 56.5 -59.7 -42.0 50.9 36.1 73.6 85 93 A T H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 110.2 46.0 -56.6 -41.9 49.2 35.0 70.5 86 94 A S H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.987 111.4 51.8 -64.1 -50.9 51.0 37.7 68.5 87 95 A S H X S+ 0 0 49 -4,-2.5 4,-1.3 -7,-0.2 -1,-0.2 0.840 106.8 55.1 -53.8 -34.7 54.4 36.8 70.1 88 96 A S H X S+ 0 0 14 -4,-2.4 4,-3.9 1,-0.2 5,-0.3 0.932 102.4 53.7 -65.6 -44.7 53.9 33.2 69.2 89 97 A I H X S+ 0 0 5 -4,-1.7 4,-1.3 -3,-0.4 -1,-0.2 0.801 109.2 49.6 -58.8 -34.3 53.4 33.7 65.6 90 98 A N H < S+ 0 0 65 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.823 116.1 44.0 -74.8 -29.9 56.6 35.6 65.3 91 99 A F H >< S+ 0 0 67 -4,-1.3 3,-2.1 -5,-0.2 4,-0.3 0.937 111.2 48.4 -78.6 -53.5 58.4 33.0 67.1 92 100 A L H >< S+ 0 0 0 -4,-3.9 3,-2.5 1,-0.3 6,-0.2 0.910 103.2 65.6 -54.0 -41.4 57.1 29.9 65.4 93 101 A T T 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.634 83.5 76.1 -56.2 -17.9 57.7 31.5 62.2 94 102 A R T < S+ 0 0 112 -3,-2.1 2,-0.5 -4,-0.1 -1,-0.3 0.672 74.7 95.4 -69.8 -19.9 61.5 31.4 63.0 95 103 A V S X S- 0 0 3 -3,-2.5 3,-2.8 -4,-0.3 2,-0.2 -0.615 88.2-118.3 -77.1 126.2 61.4 27.8 62.2 96 104 A S T 3 S+ 0 0 38 -2,-0.5 35,-0.3 1,-0.3 36,-0.1 -0.541 105.3 32.7 -64.3 129.1 62.4 27.2 58.7 97 105 A G T 3 S+ 0 0 29 -2,-0.2 2,-0.7 1,-0.2 -1,-0.3 -0.006 98.1 100.8 108.1 -22.2 59.4 25.6 57.1 98 106 A I < + 0 0 9 -3,-2.8 -1,-0.2 -6,-0.2 -3,-0.0 -0.831 46.4 176.9-103.8 121.7 57.0 27.6 59.2 99 107 A G > - 0 0 27 -2,-0.7 4,-1.6 -3,-0.1 -4,-0.1 -0.264 47.7 -92.6 -98.9-165.5 55.4 30.5 57.6 100 108 A P H > S+ 0 0 43 0, 0.0 4,-3.3 0, 0.0 5,-0.1 0.811 122.1 60.3 -79.3 -35.8 52.8 32.6 59.2 101 109 A S H > S+ 0 0 92 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.985 114.7 35.4 -54.1 -60.7 50.0 30.7 57.8 102 110 A A H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.812 108.5 67.2 -59.2 -38.9 51.2 27.7 59.6 103 111 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.950 104.2 47.7 -51.0 -47.9 52.3 29.8 62.5 104 112 A R H X S+ 0 0 53 -4,-3.3 4,-2.1 -3,-0.3 3,-0.3 0.939 107.1 51.1 -59.6 -56.2 48.6 30.5 63.0 105 113 A K H X S+ 0 0 93 -4,-1.4 4,-1.7 1,-0.2 3,-0.5 0.940 108.9 52.8 -46.3 -56.7 47.2 26.9 62.8 106 114 A F H <>S+ 0 0 0 -4,-2.1 5,-3.3 1,-0.3 -1,-0.2 0.861 109.5 47.0 -47.1 -48.6 49.7 25.6 65.4 107 115 A V H ><5S+ 0 0 3 -4,-1.4 3,-2.1 -3,-0.3 -1,-0.3 0.866 107.7 55.5 -65.0 -37.5 49.0 28.2 67.9 108 116 A D H 3<5S+ 0 0 124 -4,-2.1 -1,-0.3 -3,-0.5 -2,-0.2 0.824 107.9 50.6 -67.8 -22.7 45.3 27.8 67.6 109 117 A E T 3<5S- 0 0 107 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.348 128.6-104.1 -91.4 5.2 46.0 24.3 68.3 110 118 A G T < 5S+ 0 0 38 -3,-2.1 2,-0.8 1,-0.3 -3,-0.3 0.410 78.3 132.9 90.3 -2.9 48.0 25.4 71.3 111 119 A I < + 0 0 6 -5,-3.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.811 14.3 143.4 -87.5 116.0 51.5 24.8 69.9 112 120 A K + 0 0 67 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.305 53.3 47.8-128.8 -11.1 53.4 28.0 70.8 113 121 A T S > S- 0 0 57 -3,-0.2 4,-2.8 1,-0.1 5,-0.1 -0.867 83.0-103.3-137.0 172.8 56.7 26.8 71.7 114 122 A L H > S+ 0 0 35 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.876 122.6 48.9 -55.0 -45.8 59.7 24.7 70.7 115 123 A E H > S+ 0 0 130 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.924 107.9 55.3 -62.4 -41.2 58.8 22.0 73.1 116 124 A D H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.925 108.5 51.1 -54.7 -44.1 55.3 22.2 71.8 117 125 A L H >< S+ 0 0 2 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.964 109.2 45.9 -61.0 -53.5 56.8 21.5 68.5 118 126 A R H >< S+ 0 0 125 -4,-2.7 3,-1.2 1,-0.3 -2,-0.2 0.878 110.0 56.4 -57.1 -40.6 58.9 18.5 69.5 119 127 A K H 3< S+ 0 0 155 -4,-3.4 -1,-0.3 1,-0.3 3,-0.2 0.786 117.0 36.6 -59.9 -30.3 55.8 17.1 71.3 120 128 A N T - 0 0 83 -2,-0.3 4,-2.9 -28,-0.1 5,-0.2 -0.372 37.1 -88.7 -85.2 170.7 56.1 18.2 57.6 126 134 A H H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.872 126.0 45.9 -44.3 -57.3 59.6 17.2 56.6 127 135 A H H > S+ 0 0 41 1,-0.3 4,-3.1 2,-0.2 3,-0.3 0.963 116.4 47.6 -55.1 -52.3 61.1 20.7 56.0 128 136 A Q H > S+ 0 0 15 1,-0.3 4,-2.6 -31,-0.2 -1,-0.3 0.850 108.3 56.9 -56.7 -34.9 59.5 21.8 59.2 129 137 A R H X S+ 0 0 101 -4,-2.9 4,-2.0 2,-0.2 -1,-0.3 0.933 109.8 42.2 -65.2 -41.2 60.9 18.8 60.9 130 138 A I H X S+ 0 0 6 -4,-2.3 4,-2.3 -3,-0.3 -2,-0.2 0.969 109.9 58.4 -67.3 -46.8 64.3 19.6 59.9 131 139 A G H < S+ 0 0 1 -4,-3.1 -2,-0.2 -35,-0.3 7,-0.2 0.867 108.8 45.6 -43.8 -51.2 63.8 23.2 60.7 132 140 A L H >< S+ 0 0 10 -4,-2.6 3,-1.4 1,-0.2 -1,-0.3 0.913 109.5 56.1 -60.5 -47.1 62.9 22.2 64.3 133 141 A K H 3< S+ 0 0 129 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 119.0 30.1 -56.4 -39.8 65.8 19.9 64.4 134 142 A Y T 3X S+ 0 0 16 -4,-2.3 4,-3.1 1,-0.2 -1,-0.3 0.031 74.5 131.3-114.0 30.4 68.3 22.6 63.6 135 143 A F H <> S+ 0 0 24 -3,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.832 79.9 42.7 -42.6 -50.2 66.7 25.6 65.0 136 144 A G H >> S+ 0 0 39 -4,-0.2 3,-2.7 -3,-0.2 4,-1.1 0.995 114.3 46.7 -59.3 -74.5 69.9 26.6 66.7 137 145 A D H 34 S+ 0 0 32 1,-0.3 3,-0.2 2,-0.2 -2,-0.2 0.744 109.5 60.7 -40.7 -35.7 72.4 25.9 63.9 138 146 A F H 3< S+ 0 0 40 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.831 103.1 46.6 -66.3 -33.8 70.0 27.7 61.6 139 147 A E H << S+ 0 0 96 -3,-2.7 -1,-0.2 -4,-1.0 2,-0.2 0.673 90.7 101.2 -81.7 -18.9 70.2 30.9 63.3 140 148 A K S < S- 0 0 109 -4,-1.1 -4,-0.0 -3,-0.2 0, 0.0 -0.482 73.5-125.0 -68.8 130.1 73.9 30.9 63.6 141 149 A R - 0 0 156 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.198 23.5-114.0 -68.8 167.0 75.7 33.0 61.1 142 150 A I E -A 180 0A 0 38,-4.3 38,-2.8 40,-0.1 2,-0.1 -0.855 21.7-141.9-108.3 102.2 78.5 31.4 58.9 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-4.3 0, 0.0 4,-1.3 -0.382 18.9-126.5 -62.4 127.7 82.0 32.7 59.5 144 152 A R H 3> S+ 0 0 65 34,-3.1 4,-2.3 1,-0.3 5,-0.1 0.640 107.3 71.5 -47.8 -21.6 83.9 33.0 56.2 145 153 A E H 34 S+ 0 0 119 33,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.723 106.8 39.1 -67.3 -21.5 86.7 30.9 57.6 146 154 A E H X> S+ 0 0 24 -3,-4.3 4,-2.7 2,-0.2 3,-0.9 0.888 109.0 58.9 -86.2 -50.1 84.1 28.1 57.3 147 155 A M H 3X S+ 0 0 1 -4,-1.3 4,-3.8 1,-0.3 5,-0.3 0.879 102.4 55.2 -41.2 -53.8 82.7 29.3 54.1 148 156 A L H 3X S+ 0 0 76 -4,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.842 109.7 47.6 -53.1 -40.4 86.2 28.9 52.5 149 157 A Q H <> S+ 0 0 66 -3,-0.9 4,-2.1 -4,-0.5 -2,-0.2 0.957 112.9 47.4 -68.4 -49.3 86.3 25.3 53.6 150 158 A M H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.3 3,-0.4 0.954 113.0 48.8 -51.8 -57.5 82.8 24.5 52.3 151 159 A Q H X S+ 0 0 59 -4,-3.8 4,-2.2 1,-0.3 -1,-0.3 0.836 106.4 58.4 -52.6 -37.4 83.6 26.2 49.0 152 160 A D H X S+ 0 0 88 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.3 0.952 110.6 41.3 -59.3 -47.2 86.7 24.2 48.9 153 161 A I H X S+ 0 0 39 -4,-2.1 4,-2.3 -3,-0.4 5,-0.2 0.908 112.1 51.5 -67.8 -46.7 84.8 21.0 49.1 154 162 A V H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.960 111.3 49.5 -57.7 -49.5 82.0 21.8 46.8 155 163 A L H X S+ 0 0 57 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.850 108.3 52.2 -59.3 -39.0 84.3 22.9 44.2 156 164 A N H X S+ 0 0 78 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.947 113.4 43.0 -66.6 -44.0 86.5 19.8 44.4 157 165 A E H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.863 110.9 52.1 -70.3 -36.2 83.6 17.4 44.0 158 166 A V H X S+ 0 0 6 -4,-2.4 4,-1.8 -5,-0.2 7,-0.2 0.929 112.3 50.5 -62.1 -39.9 81.8 19.2 41.3 159 167 A K H < S+ 0 0 128 -4,-1.6 3,-0.3 -5,-0.3 -2,-0.2 0.943 107.3 52.4 -60.1 -50.2 85.0 19.2 39.5 160 168 A K H < S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 108.0 50.1 -54.4 -43.6 85.5 15.5 40.1 161 169 A V H < S- 0 0 49 -4,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.831 133.8 -6.3 -65.3 -34.5 82.1 14.6 38.6 162 170 A D >< - 0 0 50 -4,-1.8 3,-1.2 -3,-0.3 -1,-0.3 -0.861 50.2-149.9-167.4 128.9 82.8 16.7 35.5 163 171 A S T 3 S+ 0 0 85 -2,-0.3 -3,-0.1 1,-0.3 -4,-0.1 0.669 98.2 67.4 -71.5 -20.4 85.5 19.0 34.5 164 172 A E T 3 S+ 0 0 111 -6,-0.1 -1,-0.3 -5,-0.1 27,-0.1 0.373 76.9 107.7 -82.2 2.5 83.0 20.8 32.5 165 173 A Y < - 0 0 18 -3,-1.2 2,-0.4 -7,-0.2 24,-0.2 -0.362 53.5-154.4 -78.3 164.9 81.0 22.1 35.4 166 174 A I E +B 188 0B 47 22,-1.7 22,-1.9 -2,-0.1 2,-0.4 -0.915 15.5 179.4-143.6 111.5 81.0 25.6 36.5 167 175 A A E -B 187 0B 21 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.894 4.6-179.7-117.7 146.7 80.3 26.5 40.0 168 176 A T E -B 186 0B 31 18,-1.6 18,-3.3 -2,-0.4 2,-1.1 -0.983 21.7-143.7-146.0 129.0 80.2 29.8 41.7 169 177 A V E +B 185 0B 10 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.792 31.8 175.4 -98.3 106.6 79.5 30.8 45.2 170 178 A C + 0 0 2 14,-1.4 3,-0.4 -2,-1.1 14,-0.4 0.050 30.7 78.8 -88.3-159.6 77.7 33.9 45.0 171 179 A G S > S- 0 0 12 1,-0.2 4,-1.1 2,-0.2 3,-0.4 -0.408 106.7 -45.3 88.3-168.6 76.2 35.8 47.9 172 180 A S T 4 S+ 0 0 26 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.734 133.2 69.9 -70.9 -23.6 78.0 38.1 50.3 173 181 A F T >4 S+ 0 0 13 -3,-0.4 3,-0.7 1,-0.2 -1,-0.2 0.908 104.3 42.8 -53.6 -44.4 80.6 35.4 50.5 174 182 A R T 34 S+ 0 0 55 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.750 108.9 58.5 -67.0 -40.8 81.4 36.4 47.0 175 183 A R T 3< S- 0 0 62 -4,-1.1 2,-0.9 148,-0.1 -1,-0.2 0.035 124.2 -95.7 -85.0 23.4 81.1 40.1 47.9 176 184 A G < + 0 0 35 -3,-0.7 -3,-0.1 1,-0.2 147,-0.1 -0.481 67.5 162.7 96.9 -64.2 83.9 40.0 50.6 177 185 A A - 0 0 35 -2,-0.9 -1,-0.2 146,-0.1 3,-0.1 0.677 41.8-134.5 7.8 128.0 81.6 39.5 53.7 178 186 A E S S+ 0 0 146 1,-0.2 -34,-3.1 -35,-0.1 2,-0.3 0.748 86.1 2.5 -70.5 -23.3 83.0 38.2 57.0 179 187 A S E -A 143 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.969 67.8-157.2-161.5 146.6 80.2 35.8 57.6 180 188 A S E -A 142 0A 3 -38,-2.8 -38,-4.3 -2,-0.3 3,-0.1 -0.780 20.8-130.8-127.0 172.0 77.1 34.7 55.8 181 189 A G S S- 0 0 28 1,-0.3 65,-0.4 -2,-0.3 2,-0.3 0.824 84.1 -2.8 -87.5 -40.7 73.8 33.2 56.6 182 190 A D S S- 0 0 73 63,-0.1 2,-0.6 -40,-0.1 -1,-0.3 -0.971 72.5-104.9-151.0 160.2 73.6 30.4 54.0 183 191 A M E - c 0 247B 1 63,-2.8 65,-2.6 -2,-0.3 2,-0.6 -0.840 31.1-171.8 -96.0 112.9 75.6 29.0 51.1 184 192 A D E - c 0 248B 27 -2,-0.6 -14,-1.4 -14,-0.4 2,-0.5 -0.900 3.8-170.5-106.8 123.1 74.3 29.8 47.5 185 193 A V E -Bc 169 249B 3 63,-2.5 65,-1.9 -2,-0.6 2,-0.4 -0.901 12.6-146.7-114.5 129.2 75.9 28.1 44.7 186 194 A L E -Bc 168 250B 2 -18,-3.3 -18,-1.6 -2,-0.5 2,-0.4 -0.730 22.3-166.2 -90.8 136.4 75.4 28.9 40.9 187 195 A L E +Bc 167 251B 1 63,-2.7 65,-4.2 -2,-0.4 2,-0.3 -0.972 17.1 148.7-135.8 136.6 75.6 26.0 38.6 188 196 A T E -B 166 0B 0 -22,-1.9 -22,-1.7 -2,-0.4 5,-0.1 -0.894 19.4-161.9-148.7 175.4 75.9 25.5 34.9 189 197 A H > - 0 0 14 63,-0.5 65,-1.0 3,-0.4 3,-1.0 -0.906 30.5-120.9-158.1 153.4 77.3 23.2 32.4 190 198 A P T 3 S+ 0 0 61 0, 0.0 65,-0.1 0, 0.0 -25,-0.1 0.776 111.1 62.9 -69.8 -33.8 78.0 23.8 28.7 191 199 A S T 3 S+ 0 0 63 -27,-0.1 2,-0.4 1,-0.1 11,-0.1 0.194 97.7 70.9 -77.7 12.0 75.7 21.0 27.7 192 200 A F < + 0 0 16 -3,-1.0 62,-4.7 60,-0.1 -3,-0.4 -0.963 62.4 141.8-139.9 119.1 72.8 23.0 29.3 193 201 A T - 0 0 35 -2,-0.4 5,-0.1 60,-0.3 -5,-0.0 -0.987 61.0 -73.7-157.5 163.3 71.3 26.1 27.8 194 202 A S S S+ 0 0 70 -2,-0.3 -1,-0.0 1,-0.2 62,-0.0 0.625 129.7 22.4 -14.9 -63.8 68.3 28.3 27.0 195 203 A E S S+ 0 0 162 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.951 95.5 107.5 -76.9 -57.8 67.0 26.0 24.2 196 204 A S S S- 0 0 36 1,-0.2 2,-0.9 3,-0.0 -3,-0.1 0.161 78.8-118.0 -26.6 115.4 68.7 22.7 25.2 197 205 A T - 0 0 133 -5,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.595 52.7 -72.2 -77.7 114.0 66.0 20.5 26.4 198 206 A K - 0 0 90 -2,-0.9 -5,-0.1 -3,-0.1 -1,-0.0 0.587 33.3-165.4 31.2-179.2 66.7 19.7 29.9 199 207 A Q + 0 0 80 25,-0.1 3,-0.3 -7,-0.1 4,-0.2 -0.127 8.3 177.7 160.5 84.6 69.1 17.5 31.6 200 208 A P S >> S+ 0 0 49 0, 0.0 3,-3.4 0, 0.0 4,-1.6 0.903 78.5 66.1 -65.6 -46.5 68.1 17.0 35.3 201 209 A K H 3> S+ 0 0 111 1,-0.3 4,-3.7 2,-0.2 5,-0.5 0.790 85.1 77.1 -45.6 -34.1 71.0 14.6 36.0 202 210 A L H 34 S+ 0 0 5 -3,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.813 108.2 27.8 -46.3 -39.5 73.1 17.7 35.5 203 211 A L H <> S+ 0 0 0 -3,-3.4 4,-1.9 21,-0.2 3,-0.3 0.852 120.9 52.8 -88.5 -46.9 72.0 18.7 39.0 204 212 A H H X S+ 0 0 37 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.838 98.4 63.4 -61.1 -39.5 71.4 15.4 40.6 205 213 A Q H X S+ 0 0 75 -4,-3.7 4,-1.5 1,-0.2 -1,-0.2 0.898 110.2 40.8 -56.2 -38.9 74.8 13.9 39.8 206 214 A V H > S+ 0 0 1 -5,-0.5 4,-2.8 -3,-0.3 -1,-0.2 0.903 108.6 56.8 -78.0 -36.9 76.3 16.5 41.9 207 215 A V H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.905 108.8 50.9 -55.7 -39.9 73.8 16.5 44.7 208 216 A E H X S+ 0 0 110 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.902 107.1 51.2 -60.9 -50.7 74.6 12.9 45.0 209 217 A Q H X S+ 0 0 30 -4,-1.5 4,-2.7 -5,-0.2 6,-0.2 0.957 106.8 55.3 -55.0 -50.0 78.3 13.4 45.2 210 218 A L H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.3 6,-1.1 0.921 115.7 36.2 -53.4 -46.3 77.9 15.9 47.8 211 219 A Q H ><5S+ 0 0 68 -4,-1.9 3,-1.4 3,-0.2 -1,-0.3 0.823 106.8 72.1 -77.0 -25.5 76.0 13.6 50.0 212 220 A K H 3<5S+ 0 0 140 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.958 110.2 30.8 -48.5 -59.1 78.2 10.8 48.7 213 221 A V T 3<5S- 0 0 54 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.274 121.9-109.1 -83.0 8.7 81.0 12.2 50.7 214 222 A H T < 5S+ 0 0 140 -3,-1.4 -3,-0.2 -5,-0.2 18,-0.2 0.719 83.0 119.7 76.2 23.0 78.6 13.6 53.5 215 223 A F S - 0 0 19 0, 0.0 3,-1.9 0, 0.0 -60,-0.3 -0.346 33.7-117.6 -57.0 137.2 71.8 26.9 31.4 254 262 A K G > S+ 0 0 69 -62,-4.7 3,-1.3 -65,-1.0 4,-0.3 0.838 107.5 69.4 -48.6 -39.6 75.2 28.1 30.4 255 263 A D G 3 S+ 0 0 73 -63,-0.3 -1,-0.3 1,-0.2 50,-0.2 0.442 109.8 32.3 -64.5 5.2 73.8 30.9 28.2 256 264 A Q G <> S+ 0 0 31 -3,-1.9 4,-1.6 48,-0.1 -1,-0.2 0.370 82.0 111.6-145.4 14.1 72.6 32.9 31.2 257 265 A Y H X> S+ 0 0 0 -3,-1.3 4,-4.2 -4,-0.3 3,-0.6 0.970 77.1 47.0 -50.7 -74.1 75.1 32.1 34.0 258 266 A Y H 3> S+ 0 0 42 -4,-0.3 4,-3.1 1,-0.3 5,-0.3 0.754 110.4 51.3 -47.8 -34.5 76.8 35.5 34.4 259 267 A C H 3> S+ 0 0 5 29,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.936 118.7 40.9 -68.0 -39.8 73.6 37.5 34.4 260 268 A G H < S+ 0 0 66 -4,-2.7 3,-1.9 24,-0.4 -2,-0.2 0.870 107.1 51.0 -50.4 -55.8 72.8 39.1 39.9 264 272 A F H 3< S+ 0 0 69 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 98.0 69.3 -58.9 -33.7 73.1 36.7 42.9 265 273 A T T 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.549 88.1 147.8 -63.7 -7.3 76.2 38.5 44.0 266 274 A G < - 0 0 2 -3,-1.9 2,-0.2 -4,-0.2 -1,-0.1 0.045 58.2-166.6 46.9-155.9 74.1 41.6 44.9 267 275 A S >> - 0 0 10 59,-0.1 4,-2.2 -3,-0.1 3,-0.8 0.741 37.2-133.4 -78.0 169.2 74.1 43.8 46.8 268 276 A D H 3> S+ 0 0 110 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.890 110.1 51.5 -45.8 -48.1 70.5 44.9 45.9 269 277 A I H 3> S+ 0 0 79 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.787 107.1 50.4 -59.7 -37.5 71.9 48.4 45.8 270 278 A F H <> S+ 0 0 0 -3,-0.8 4,-1.4 56,-0.6 -1,-0.3 0.839 110.8 54.9 -71.1 -31.1 74.7 47.4 43.4 271 279 A N H X S+ 0 0 13 -4,-2.2 4,-3.8 2,-0.2 -2,-0.2 0.967 107.9 42.4 -64.0 -59.4 72.0 45.8 41.4 272 280 A K H X S+ 0 0 132 -4,-2.6 4,-4.7 2,-0.2 5,-0.2 0.959 114.3 49.2 -55.1 -59.6 69.7 48.6 40.9 273 281 A N H X S+ 0 0 91 -4,-1.5 4,-3.0 1,-0.3 5,-0.2 0.870 114.0 48.9 -47.9 -40.8 72.4 51.3 40.1 274 282 A M H X S+ 0 0 4 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.3 0.971 116.1 42.5 -63.2 -50.1 73.8 48.8 37.7 275 283 A R H X S+ 0 0 75 -4,-3.8 4,-1.8 2,-0.2 -2,-0.3 0.886 112.8 53.0 -61.3 -42.3 70.3 48.4 36.3 276 284 A A H >X S+ 0 0 53 -4,-4.7 4,-1.5 1,-0.2 3,-0.5 0.968 112.9 42.8 -58.2 -53.9 69.6 52.0 36.4 277 285 A H H 3X S+ 0 0 40 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.878 108.3 60.1 -57.6 -40.9 72.7 52.9 34.5 278 286 A A H 3<>S+ 0 0 0 -4,-2.4 5,-1.4 1,-0.3 -1,-0.2 0.844 103.9 53.0 -50.3 -43.2 72.1 49.9 32.0 279 287 A L H X<5S+ 0 0 77 -4,-1.8 3,-1.0 -3,-0.5 -1,-0.3 0.841 110.6 46.0 -60.5 -45.2 68.9 51.7 31.2 280 288 A E H 3<5S+ 0 0 133 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.999 104.6 57.4 -61.7 -67.1 70.7 54.8 30.5 281 289 A K T 3<5S- 0 0 86 -4,-2.9 -1,-0.2 34,-0.2 -2,-0.2 0.413 133.1 -90.5 -43.4 -2.1 73.4 53.2 28.4 282 290 A G T < 5S+ 0 0 34 -3,-1.0 11,-1.8 1,-0.2 2,-0.3 0.852 89.4 101.1 86.7 47.7 70.4 51.9 26.2 283 291 A F E < -F 292 0C 27 -5,-1.4 2,-0.4 9,-0.2 -1,-0.2 -0.874 55.4-132.4-148.3-179.9 69.7 48.5 28.0 284 292 A T E -F 291 0C 25 7,-0.7 7,-2.6 -2,-0.3 2,-0.4 -0.990 17.1-174.4-145.0 137.5 68.0 46.1 30.2 285 293 A I E +F 290 0C 18 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.956 10.9 152.7-135.2 155.4 69.0 43.7 32.7 286 294 A N - 0 0 37 3,-1.7 3,-0.3 -2,-0.4 -23,-0.2 -0.900 63.3 -62.6-160.1 178.1 67.5 41.0 34.9 287 295 A E S S+ 0 0 70 -2,-0.3 -24,-0.4 1,-0.2 -23,-0.2 0.801 129.0 22.7 -36.0 -52.2 68.3 37.9 36.6 288 296 A Y S S+ 0 0 123 -29,-0.1 -29,-0.3 -28,-0.1 2,-0.3 0.558 120.3 7.4 -98.1 -21.7 69.1 35.9 33.3 289 297 A T - 0 0 20 -3,-0.3 -3,-1.7 -30,-0.2 2,-0.4 -0.924 50.1-125.5-154.5-175.9 70.0 38.4 30.6 290 298 A I E -F 285 0C 0 13,-0.5 13,-2.3 -2,-0.3 -5,-0.2 -0.996 28.9-161.7-137.7 126.1 70.8 41.8 29.2 291 299 A R E -F 284 0C 82 -7,-2.6 -7,-0.7 -2,-0.4 2,-0.2 -0.934 23.2-120.2-130.9 135.3 68.9 43.4 26.3 292 300 A P E -F 283 0C 45 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.381 40.8-128.0 -58.0 117.6 69.5 46.2 23.8 293 301 A L - 0 0 54 -11,-1.8 7,-0.1 -2,-0.2 5,-0.1 -0.595 14.9-145.0 -82.6 127.4 66.6 48.6 24.3 294 302 A G - 0 0 28 -2,-0.4 5,-0.2 1,-0.1 3,-0.1 -0.184 14.6-130.5 -74.7 175.5 64.5 49.7 21.4 295 303 A V S S+ 0 0 146 1,-0.1 -1,-0.1 3,-0.1 4,-0.1 0.661 89.1 88.6-104.3 -18.1 63.2 53.2 21.3 296 304 A T S S- 0 0 133 2,-0.3 -1,-0.1 1,-0.1 2,-0.1 0.447 126.9 -73.8 -56.3 -5.6 59.5 52.3 20.4 297 305 A G S S- 0 0 56 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.635 106.4 -10.0 142.0 -67.6 59.0 52.1 24.1 298 306 A V + 0 0 112 -2,-0.1 -2,-0.3 -5,-0.1 2,-0.2 -0.689 59.1 173.2-139.8-172.8 60.8 48.8 24.7 299 307 A A - 0 0 40 -2,-0.2 2,-0.1 -5,-0.2 -5,-0.1 -0.795 13.1-146.3 165.8 155.1 62.3 45.9 22.9 300 308 A G + 0 0 34 -2,-0.2 -9,-0.0 -7,-0.1 -2,-0.0 -0.367 25.9 146.4-121.0-158.2 64.4 42.8 23.5 301 309 A E - 0 0 143 -2,-0.1 2,-0.2 -10,-0.1 -11,-0.0 0.551 52.2-101.5 116.8 95.1 67.0 40.4 22.2 302 310 A P - 0 0 74 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 -0.081 27.9-148.1 -44.2 99.1 69.6 38.6 24.2 303 311 A L - 0 0 42 -13,-2.3 2,-0.5 -2,-0.2 -13,-0.5 -0.474 27.5-113.9 -68.6 136.8 72.9 40.2 24.2 304 312 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.715 33.4-172.3 -86.6 121.5 75.6 37.5 24.5 305 313 A V + 0 0 27 -2,-0.5 -47,-0.2 -50,-0.2 -48,-0.1 -0.903 23.1 176.4-115.1 135.5 77.8 37.4 27.7 306 314 A D S S- 0 0 122 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.266 78.4 -6.1-117.8 6.8 80.9 35.2 28.4 307 315 A S S >> S- 0 0 41 1,-0.0 4,-1.1 -50,-0.0 3,-0.6 -0.913 81.4 -86.4 175.7 170.7 81.5 36.9 31.8 308 316 A E H 3> S+ 0 0 4 1,-0.3 4,-2.0 -2,-0.3 5,-0.1 0.658 125.5 65.9 -64.2 -19.6 80.5 39.7 34.2 309 317 A K H 3> S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.892 94.3 53.3 -69.5 -46.6 83.0 41.5 32.1 310 318 A D H <> S+ 0 0 47 -3,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.900 109.7 50.7 -59.9 -38.2 80.8 41.3 29.0 311 319 A I H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.966 112.0 41.7 -62.4 -59.8 77.9 42.8 31.0 312 320 A F H <>S+ 0 0 0 -4,-2.0 5,-1.0 2,-0.2 4,-0.3 0.933 112.2 57.7 -51.3 -52.1 79.6 45.8 32.4 313 321 A D H ><5S+ 0 0 74 -4,-2.4 3,-2.7 1,-0.3 -1,-0.2 0.894 104.4 54.3 -41.1 -55.6 81.3 46.3 29.0 314 322 A Y H 3<5S+ 0 0 67 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.898 110.8 41.0 -46.7 -56.4 77.8 46.4 27.6 315 323 A I T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.403 115.7-120.6 -78.8 8.9 76.7 49.1 29.8 316 324 A Q T < 5 + 0 0 133 -3,-2.7 -3,-0.2 -4,-0.3 2,-0.2 0.946 63.7 143.6 49.8 61.1 80.1 50.7 29.2 317 325 A W < - 0 0 61 -5,-1.0 2,-0.6 -6,-0.0 -1,-0.2 -0.710 59.0 -84.9-123.8 172.0 81.0 50.6 32.9 318 326 A K - 0 0 130 -2,-0.2 2,-0.2 1,-0.1 -6,-0.0 -0.702 50.3-114.0 -80.8 114.7 84.0 50.1 35.3 319 327 A Y - 0 0 94 -2,-0.6 2,-0.6 1,-0.1 -1,-0.1 -0.313 34.6-145.9 -55.4 116.2 84.5 46.4 36.0 320 328 A R - 0 0 36 -2,-0.2 -1,-0.1 -12,-0.1 5,-0.1 -0.806 4.4-135.4 -89.8 117.3 83.6 46.1 39.6 321 329 A E - 0 0 135 -2,-0.6 3,-0.3 1,-0.1 4,-0.1 -0.258 36.0-106.0 -62.7 156.4 85.5 43.6 41.6 322 330 A P S > S+ 0 0 23 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.862 116.5 61.5 -55.8 -36.9 83.0 41.8 43.8 323 331 A K G > S+ 0 0 132 1,-0.3 3,-0.9 2,-0.1 -146,-0.1 0.944 103.2 49.5 -52.4 -54.4 84.0 43.5 47.0 324 332 A D G 3 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.3 3,-0.2 0.235 83.5 94.3 -71.5 11.2 83.1 47.0 45.6 325 333 A R G < + 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -55,-0.3 0.389 54.3 106.0 -83.9 2.3 79.8 45.7 44.6 326 334 A S < 0 0 64 -3,-0.9 -56,-0.6 1,-0.2 -57,-0.2 0.959 360.0 360.0 -48.6 -73.6 78.5 46.9 47.8 327 335 A E 0 0 155 -3,-0.2 -1,-0.2 -58,-0.2 -2,-0.1 0.252 360.0 360.0-128.7 360.0 76.6 50.0 46.6