==== 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 19-APR-96 7ICM . 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) . 18017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 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 . 28 8.6 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 . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 1 1 3 2 0 0 1 2 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 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 0 2 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 0 221 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -11.9 67.2 58.1 57.0 2 10 A T + 0 0 118 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.128 360.0 80.1-172.5 -3.6 67.1 59.3 60.6 3 11 A L S S+ 0 0 63 1,-0.2 3,-0.2 36,-0.1 42,-0.1 0.929 112.1 19.2 -83.6 -44.9 64.8 62.2 60.4 4 12 A N S > S+ 0 0 8 1,-0.2 4,-2.8 37,-0.2 5,-0.3 0.043 90.4 134.3-113.7 32.3 61.7 60.3 60.4 5 13 A G H > + 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.861 69.0 42.7 -39.4 -68.5 63.2 57.1 61.9 6 14 A G H > S+ 0 0 35 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.934 113.9 54.4 -51.7 -52.1 60.8 56.1 64.6 7 15 A I H > S+ 0 0 8 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.898 109.8 44.6 -52.1 -50.9 57.9 56.8 62.3 8 16 A T H X S+ 0 0 25 -4,-2.8 4,-1.6 1,-0.2 -1,-0.3 0.825 117.3 49.2 -65.3 -27.6 59.1 54.7 59.6 9 17 A D H X S+ 0 0 96 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.954 107.5 48.5 -74.7 -47.4 59.8 52.1 62.2 10 18 A M H X S+ 0 0 6 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.924 113.1 51.6 -52.1 -49.4 56.6 52.0 64.1 11 19 A L H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.3 -1,-0.2 0.836 105.3 53.1 -55.9 -46.3 54.8 51.7 60.8 12 20 A T H X S+ 0 0 59 -4,-1.6 4,-3.1 -5,-0.2 -1,-0.3 0.931 110.2 50.0 -60.9 -39.9 56.9 48.9 59.8 13 21 A E H X S+ 0 0 77 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.952 113.6 45.0 -55.4 -54.1 56.0 47.2 63.1 14 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.935 114.0 48.6 -53.8 -55.8 52.3 47.8 62.5 15 23 A A H X S+ 0 0 3 -4,-3.3 4,-1.9 1,-0.2 5,-0.2 0.923 111.0 51.7 -53.0 -49.6 52.5 46.7 58.9 16 24 A N H X S+ 0 0 85 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.906 109.0 49.0 -53.8 -48.7 54.3 43.6 59.9 17 25 A F H X>S+ 0 0 36 -4,-2.9 4,-3.0 2,-0.2 5,-1.0 0.946 105.5 58.0 -56.8 -51.2 51.8 42.7 62.4 18 26 A E H <5S+ 0 0 9 -4,-2.6 6,-0.7 1,-0.2 7,-0.2 0.902 115.2 36.0 -42.2 -60.7 48.9 43.2 60.0 19 27 A K H <5S+ 0 0 82 -4,-1.9 -1,-0.2 5,-0.3 -2,-0.2 0.916 122.0 44.7 -61.1 -52.9 50.2 40.8 57.6 20 28 A N H <5S+ 0 0 24 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.874 130.3 15.2 -62.6 -47.7 51.7 38.2 60.2 21 29 A V T <5S+ 0 0 32 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.839 131.0 38.4 -95.9 -60.7 48.9 38.0 62.8 22 30 A S S + 0 0 27 -6,-0.7 4,-5.9 1,-0.2 -5,-0.3 -0.127 8.1 157.7 -45.0 50.0 45.6 42.2 56.7 25 33 A I H > S+ 0 0 92 -2,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.807 78.6 48.3 -50.1 -32.8 47.5 42.3 53.5 26 34 A H H > S+ 0 0 152 2,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.991 117.7 38.5 -72.3 -52.4 45.8 45.5 52.6 27 35 A K H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.891 117.7 51.6 -55.9 -47.9 46.4 47.1 55.8 28 36 A Y H X S+ 0 0 29 -4,-5.9 4,-1.4 1,-0.3 -1,-0.2 0.969 109.8 46.6 -52.7 -59.3 49.7 45.6 56.0 29 37 A N H X S+ 0 0 78 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.704 106.6 65.3 -56.1 -23.5 50.5 46.8 52.5 30 38 A A H >X S+ 0 0 31 -4,-1.1 4,-1.9 2,-0.2 3,-0.5 0.997 98.4 47.6 -67.6 -60.7 49.2 50.1 53.7 31 39 A Y H 3X S+ 0 0 13 -4,-2.0 4,-3.5 1,-0.2 5,-0.2 0.775 108.7 63.3 -47.3 -32.7 51.9 50.8 56.4 32 40 A R H 3X S+ 0 0 143 -4,-1.4 4,-2.6 2,-0.3 -1,-0.2 0.913 102.9 37.9 -61.9 -55.7 54.4 49.9 53.8 33 41 A K H X S+ 0 0 29 -4,-3.2 4,-2.4 -3,-0.3 3,-0.9 0.944 116.2 47.9 -68.9 -46.0 57.1 57.7 51.5 38 46 A I H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 108.0 64.6 -61.6 -24.5 57.8 59.3 54.9 39 47 A A H 3< S+ 0 0 48 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.817 107.7 35.9 -63.6 -38.6 61.1 57.5 54.4 40 48 A K H << S+ 0 0 175 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.846 90.9 118.3 -83.1 -36.8 62.0 59.6 51.4 41 49 A Y < - 0 0 43 -4,-2.4 -37,-0.2 1,-0.2 4,-0.1 -0.089 58.8-145.6 -44.9 115.1 60.5 62.7 52.8 42 50 A P + 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.242 66.5 67.7 -62.6 -2.7 63.1 65.4 53.3 43 51 A H S S- 0 0 111 -5,-0.1 2,-0.8 -39,-0.0 -40,-0.0 -0.645 87.3 -93.4-124.2-175.2 61.8 67.1 56.4 44 52 A K - 0 0 121 -2,-0.2 2,-0.7 -40,-0.0 -40,-0.1 -0.824 42.7-130.0 -94.5 112.3 61.2 66.6 60.1 45 53 A I + 0 0 7 -2,-0.8 -38,-0.1 1,-0.2 3,-0.1 -0.455 31.2 176.3 -63.9 108.4 57.7 65.4 60.5 46 54 A K - 0 0 149 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.496 56.9 -8.9 -95.0 -1.0 56.3 67.6 63.1 47 55 A S S > S- 0 0 41 1,-0.2 4,-1.3 22,-0.0 -1,-0.1 -0.990 70.5 -91.7-174.4 176.4 52.7 66.4 63.2 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.9 2,-0.2 3,-1.1 0.990 116.0 49.5 -66.8 -63.3 50.0 64.2 61.6 49 57 A A H 3> S+ 0 0 70 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.815 109.1 57.8 -46.8 -32.8 48.4 66.6 59.2 50 58 A E H 34 S+ 0 0 44 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.928 112.7 37.2 -65.9 -44.0 51.8 67.4 58.0 51 59 A A H X< S+ 0 0 0 -4,-1.3 3,-5.0 -3,-1.1 -2,-0.2 0.950 107.0 66.2 -68.3 -47.7 52.3 63.8 57.2 52 60 A K H 3< S+ 0 0 91 -4,-3.9 5,-0.2 1,-0.4 -1,-0.2 0.758 86.1 74.0 -38.2 -40.4 48.8 63.4 56.0 53 61 A K T 3< S+ 0 0 169 -4,-1.4 -1,-0.4 -5,-0.3 -2,-0.2 0.688 84.3 86.5 -50.2 -25.9 49.8 65.6 53.4 54 62 A L S X S- 0 0 33 -3,-5.0 3,-0.9 -4,-0.1 2,-0.3 -0.444 89.7-103.8 -83.5 159.0 51.7 62.9 51.9 55 63 A P T 3 S+ 0 0 101 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.586 109.2 30.0 -77.3 138.3 50.3 60.2 49.5 56 64 A G T 3 S+ 0 0 27 -2,-0.3 2,-0.9 1,-0.2 -22,-0.2 0.061 97.7 108.8 97.3 -23.8 49.8 56.9 51.3 57 65 A V < + 0 0 10 -3,-0.9 -1,-0.2 -5,-0.2 2,-0.1 -0.773 46.1 173.1 -96.7 115.3 49.1 58.7 54.4 58 66 A G > - 0 0 28 -2,-0.9 4,-1.2 -3,-0.1 -4,-0.1 -0.108 48.9 -85.7 -95.6-162.6 45.6 58.6 55.4 59 67 A T H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.797 122.4 53.4 -77.4 -38.2 43.7 59.8 58.4 60 68 A K H > S+ 0 0 126 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.816 111.9 42.7 -71.1 -32.5 44.3 56.6 60.4 61 69 A I H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.842 111.2 55.8 -80.9 -35.0 48.0 56.7 60.0 62 70 A A H X S+ 0 0 6 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.946 105.9 53.5 -57.7 -45.7 48.0 60.3 60.6 63 71 A E H X S+ 0 0 121 -4,-2.3 4,-1.5 1,-0.3 5,-0.2 0.918 110.0 46.8 -48.4 -55.0 46.3 59.5 63.9 64 72 A K H X S+ 0 0 36 -4,-1.5 4,-1.8 1,-0.3 5,-0.3 0.872 107.2 56.4 -59.9 -42.8 48.9 57.1 64.8 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.3 0.888 104.3 55.4 -63.6 -33.9 51.6 59.4 63.9 66 74 A D H X S+ 0 0 67 -4,-2.2 4,-4.8 1,-0.2 3,-0.4 0.988 107.6 44.4 -59.1 -63.9 50.2 62.0 66.3 67 75 A E H X S+ 0 0 69 -4,-1.5 4,-2.7 1,-0.3 6,-0.6 0.769 114.1 53.1 -48.2 -34.9 50.2 59.9 69.5 68 76 A F H < S+ 0 0 54 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.948 116.1 36.9 -71.6 -43.6 53.5 58.7 68.6 69 77 A L H < S+ 0 0 62 -4,-2.3 -2,-0.3 -3,-0.4 -3,-0.2 0.986 116.9 53.7 -67.7 -49.5 54.8 62.1 68.3 70 78 A A H < S+ 0 0 84 -4,-4.8 2,-0.3 -5,-0.2 -3,-0.2 0.880 126.9 12.6 -46.5 -52.0 52.7 63.3 71.2 71 79 A T S < S- 0 0 66 -4,-2.7 2,-2.0 2,-0.4 -1,-0.1 -0.958 85.6-108.4-127.9 145.4 54.0 60.5 73.5 72 80 A G S S+ 0 0 72 -2,-0.3 2,-0.3 -3,-0.0 -4,-0.1 0.243 96.5 60.6 -62.3 28.6 57.1 58.3 73.0 73 81 A K - 0 0 89 -2,-2.0 -2,-0.4 -6,-0.6 2,-0.4 -0.939 65.1-140.8-151.7 174.2 54.6 55.5 72.5 74 82 A L > - 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 -0.995 15.3-148.7-134.8 123.3 51.8 53.8 70.7 75 83 A R H > S+ 0 0 176 -2,-0.4 4,-3.9 1,-0.2 5,-0.2 0.983 101.0 47.3 -56.6 -60.2 49.0 51.9 72.6 76 84 A K H > S+ 0 0 77 1,-0.3 4,-2.8 2,-0.3 -1,-0.2 0.838 111.9 52.0 -47.5 -39.7 48.3 49.4 69.9 77 85 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.962 113.8 43.7 -65.1 -44.0 52.0 48.9 69.6 78 86 A E H X S+ 0 0 77 -4,-2.5 4,-0.6 2,-0.2 -2,-0.3 0.958 111.8 51.9 -63.8 -48.7 52.1 48.3 73.3 79 87 A K H >X S+ 0 0 134 -4,-3.9 4,-1.5 1,-0.2 3,-0.7 0.896 114.1 44.7 -53.6 -44.1 49.0 46.1 73.2 80 88 A I H 3< S+ 0 0 21 -4,-2.8 7,-0.2 -5,-0.2 -1,-0.2 0.880 104.9 61.5 -68.0 -41.3 50.6 43.9 70.4 81 89 A R H 3< S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.551 114.1 36.7 -63.0 -11.9 54.2 43.7 72.0 82 90 A Q H << S+ 0 0 140 -3,-0.7 -2,-0.2 -4,-0.6 5,-0.1 0.866 85.2 105.3 -96.8 -72.5 52.6 41.9 75.0 83 91 A D X - 0 0 65 -4,-1.5 4,-2.1 -5,-0.1 3,-0.2 0.283 61.2-145.7 -18.3 112.7 49.9 39.7 73.7 84 92 A D H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 93.2 57.8 -55.6 -53.0 51.0 36.2 73.8 85 93 A T H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.848 109.0 46.3 -45.1 -44.9 49.2 35.1 70.7 86 94 A S H > S+ 0 0 2 -3,-0.2 4,-1.7 1,-0.2 3,-0.3 0.960 110.9 52.8 -64.4 -48.9 50.9 37.6 68.6 87 95 A S H X S+ 0 0 49 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.852 104.6 55.9 -53.9 -40.6 54.3 36.8 70.2 88 96 A S H X S+ 0 0 12 -4,-2.6 4,-3.6 1,-0.2 3,-0.5 0.924 104.5 51.4 -61.8 -43.4 53.9 33.1 69.4 89 97 A I H X S+ 0 0 6 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.864 107.9 52.9 -63.0 -36.6 53.4 33.7 65.7 90 98 A N H < S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.798 116.2 42.3 -70.4 -21.1 56.5 35.8 65.6 91 99 A F H >< S+ 0 0 59 -4,-1.1 3,-1.4 -3,-0.5 4,-0.3 0.818 109.8 49.7 -89.8 -45.6 58.3 33.0 67.2 92 100 A L H >< S+ 0 0 1 -4,-3.6 3,-3.0 1,-0.3 6,-0.2 0.931 101.7 67.1 -61.0 -40.8 57.1 29.9 65.5 93 101 A T T 3< S+ 0 0 40 -4,-1.4 -1,-0.3 -5,-0.3 5,-0.2 0.683 82.9 75.8 -51.1 -23.7 57.7 31.6 62.3 94 102 A R T < S+ 0 0 114 -3,-1.4 -1,-0.3 2,-0.1 2,-0.2 0.793 76.5 93.2 -64.2 -25.7 61.4 31.4 63.1 95 103 A V S X S- 0 0 3 -3,-3.0 3,-2.1 -4,-0.3 2,-0.5 -0.463 90.2-110.1 -71.0 136.9 61.4 27.7 62.3 96 104 A S T 3 S+ 0 0 38 35,-0.3 35,-0.4 1,-0.3 36,-0.2 -0.521 106.5 23.6 -67.3 119.2 62.3 26.9 58.7 97 105 A G T 3 S+ 0 0 34 1,-0.5 2,-0.5 -2,-0.5 -1,-0.3 0.172 96.8 104.4 112.4 -19.8 59.2 25.8 57.1 98 106 A I < + 0 0 10 -3,-2.1 -1,-0.5 -6,-0.2 26,-0.0 -0.863 45.8 174.7 -98.1 134.1 56.8 27.5 59.3 99 107 A G > - 0 0 28 -2,-0.5 4,-2.9 -3,-0.1 5,-0.1 -0.515 50.0 -84.8-120.9-172.9 55.2 30.5 57.8 100 108 A P H > S+ 0 0 43 0, 0.0 4,-3.7 0, 0.0 5,-0.1 0.890 125.7 57.1 -66.8 -39.0 52.5 32.7 59.2 101 109 A S H > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.977 114.0 37.7 -53.9 -58.9 49.8 30.5 57.9 102 110 A A H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 110.6 60.8 -60.1 -41.8 51.2 27.6 59.7 103 111 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 5,-0.2 0.934 104.9 51.5 -53.8 -46.9 52.1 29.7 62.7 104 112 A R H X S+ 0 0 49 -4,-3.7 4,-1.5 2,-0.2 3,-0.3 0.942 108.6 48.6 -52.7 -58.0 48.5 30.6 63.0 105 113 A K H >< S+ 0 0 101 -4,-1.7 3,-1.1 1,-0.2 5,-0.2 0.934 109.6 53.0 -45.4 -58.6 47.2 27.0 63.0 106 114 A F H ><>S+ 0 0 0 -4,-2.5 5,-4.3 1,-0.3 3,-1.9 0.873 108.9 47.6 -46.6 -47.8 49.7 25.8 65.5 107 115 A V H ><5S+ 0 0 7 -4,-1.7 3,-0.6 -3,-0.3 -1,-0.3 0.783 106.4 58.5 -68.1 -26.3 48.8 28.4 68.0 108 116 A D T <<5S+ 0 0 121 -4,-1.5 -1,-0.3 -3,-1.1 -2,-0.2 0.239 107.6 45.6 -88.5 16.3 45.3 27.7 67.6 109 117 A E T < 5S- 0 0 114 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.091 128.2-103.9-132.3 3.4 46.0 24.2 68.6 110 118 A G T < 5S+ 0 0 38 -3,-0.6 2,-0.8 1,-0.3 -3,-0.3 0.516 76.3 139.2 82.4 12.1 48.0 25.6 71.4 111 119 A I < + 0 0 5 -5,-4.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.815 12.8 143.0 -87.6 116.1 51.5 25.0 69.9 112 120 A K + 0 0 67 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.229 50.4 49.3-135.8 4.5 53.3 28.0 70.8 113 121 A T S > S- 0 0 57 -3,-0.1 4,-2.9 1,-0.1 5,-0.1 -0.930 83.3-100.5-145.4 172.1 56.6 27.0 71.7 114 122 A L H > S+ 0 0 38 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.865 123.2 45.9 -58.0 -41.8 59.7 25.0 70.8 115 123 A E H > S+ 0 0 126 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.983 106.3 58.6 -66.1 -51.0 58.7 22.3 73.1 116 124 A D H > S+ 0 0 42 1,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.861 106.6 52.3 -39.1 -48.7 55.2 22.3 71.8 117 125 A L H >< S+ 0 0 1 -4,-2.9 3,-1.1 2,-0.2 -1,-0.3 0.959 108.8 44.3 -57.5 -61.2 56.7 21.6 68.6 118 126 A R H >< S+ 0 0 132 -4,-1.9 3,-2.4 1,-0.3 -2,-0.2 0.905 111.3 56.6 -50.0 -47.5 58.8 18.6 69.5 119 127 A K H 3< S+ 0 0 157 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.794 116.5 36.8 -54.2 -31.7 55.8 17.2 71.5 120 128 A N T X< S+ 0 0 45 -4,-1.6 3,-2.6 -3,-1.1 4,-0.4 -0.068 70.2 140.2-115.2 38.7 53.9 17.5 68.3 121 129 A E G X + 0 0 96 -3,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.659 65.9 72.9 -53.0 -13.5 56.5 16.5 65.8 122 130 A D G 3 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.826 90.7 54.7 -72.2 -29.9 53.8 14.6 64.1 123 131 A K G < S+ 0 0 94 -3,-2.6 2,-0.4 -6,-0.2 -1,-0.2 0.488 93.9 86.5 -82.0 -1.5 52.2 17.7 62.8 124 132 A L S < S- 0 0 2 -3,-0.7 2,-0.1 -4,-0.4 -26,-0.0 -0.769 71.1-137.2-100.8 150.4 55.2 19.0 61.2 125 133 A N > - 0 0 78 -2,-0.4 4,-2.8 -28,-0.1 5,-0.3 -0.366 39.0 -83.6 -91.2 178.6 56.3 18.0 57.7 126 134 A H H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.904 127.8 42.4 -47.2 -57.0 59.8 17.1 56.5 127 135 A H H > S+ 0 0 44 1,-0.2 4,-3.2 2,-0.2 3,-0.3 0.983 118.0 46.8 -53.5 -60.9 61.0 20.6 56.0 128 136 A Q H > S+ 0 0 13 1,-0.3 4,-1.5 -31,-0.2 -1,-0.2 0.773 109.9 55.1 -51.0 -35.1 59.5 21.8 59.1 129 137 A R H X S+ 0 0 99 -4,-2.8 4,-2.5 2,-0.2 -1,-0.3 0.938 110.6 42.3 -68.3 -46.8 60.8 18.9 60.9 130 138 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 -3,-0.3 -2,-0.2 0.968 107.9 61.3 -61.7 -48.0 64.3 19.5 60.0 131 139 A G H < S+ 0 0 1 -4,-3.2 -35,-0.3 -35,-0.4 -1,-0.2 0.801 108.8 44.6 -44.2 -40.4 63.8 23.2 60.6 132 140 A L H >< S+ 0 0 11 -4,-1.5 3,-1.4 -5,-0.2 -1,-0.3 0.911 108.8 54.8 -74.3 -44.6 63.1 22.2 64.2 133 141 A K H 3< S+ 0 0 129 -4,-2.5 -2,-0.2 1,-0.3 3,-0.2 0.830 117.3 37.4 -59.8 -31.3 65.9 19.8 64.5 134 142 A Y T 3X S+ 0 0 16 -4,-2.6 4,-3.5 1,-0.2 -1,-0.3 0.180 75.1 127.3-108.9 20.3 68.3 22.6 63.4 135 143 A F T <4 S+ 0 0 22 -3,-1.4 4,-0.4 2,-0.2 -1,-0.2 0.830 79.7 40.0 -40.3 -54.0 66.8 25.6 65.1 136 144 A G T >> S+ 0 0 40 -4,-0.2 3,-3.9 -3,-0.2 4,-0.8 0.992 118.2 44.7 -61.1 -74.2 70.0 26.6 66.8 137 145 A D G >4 S+ 0 0 30 1,-0.3 3,-1.0 2,-0.2 -2,-0.2 0.793 109.5 60.1 -35.6 -47.4 72.5 25.9 63.9 138 146 A F G 3< S+ 0 0 46 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.616 105.1 46.2 -61.3 -18.3 70.1 27.5 61.5 139 147 A E G <4 S+ 0 0 102 -3,-3.9 2,-0.5 -4,-0.4 -1,-0.3 0.536 89.1 102.2-100.7 -12.4 70.3 30.8 63.3 140 148 A K S << S- 0 0 104 -3,-1.0 -4,-0.0 -4,-0.8 0, 0.0 -0.639 75.7-122.0 -76.2 118.7 74.0 30.9 63.7 141 149 A R - 0 0 147 -2,-0.5 40,-0.2 1,-0.1 -1,-0.1 -0.018 25.1-117.4 -53.1 161.7 75.7 33.1 61.2 142 150 A I E -A 180 0A 0 38,-3.6 38,-3.5 40,-0.1 2,-0.3 -0.930 21.6-140.3-109.9 114.4 78.4 31.4 59.0 143 151 A P E >> -A 179 0A 35 0, 0.0 3,-4.1 0, 0.0 4,-1.6 -0.598 16.9-125.3 -75.2 130.2 81.8 32.7 59.5 144 152 A R H 3> S+ 0 0 63 34,-3.3 4,-2.5 -2,-0.3 5,-0.2 0.742 109.3 69.4 -44.0 -30.4 83.8 33.1 56.2 145 153 A E H 3> S+ 0 0 118 33,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.845 107.2 37.7 -59.9 -29.6 86.5 31.0 57.7 146 154 A E H <> S+ 0 0 30 -3,-4.1 4,-2.8 2,-0.2 -2,-0.2 0.867 110.5 62.3 -81.8 -41.5 83.9 28.1 57.4 147 155 A M H X S+ 0 0 1 -4,-1.6 4,-3.7 1,-0.2 5,-0.3 0.884 101.8 50.7 -45.2 -53.9 82.6 29.4 54.1 148 156 A L H X S+ 0 0 72 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.882 110.3 48.9 -57.7 -45.3 86.1 28.9 52.5 149 157 A Q H X S+ 0 0 65 -4,-0.8 4,-2.0 -5,-0.2 -2,-0.2 0.959 114.8 46.0 -61.4 -47.2 86.4 25.3 53.7 150 158 A M H >X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 3,-0.6 0.956 112.6 48.5 -54.3 -57.6 82.8 24.6 52.4 151 159 A Q H 3X S+ 0 0 58 -4,-3.7 4,-2.0 1,-0.3 5,-0.3 0.890 107.8 58.2 -51.8 -41.6 83.5 26.3 49.2 152 160 A D H 3X S+ 0 0 87 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.3 0.901 110.8 41.3 -58.7 -38.5 86.7 24.2 49.0 153 161 A I H < S+ 0 0 135 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.959 104.4 49.0 -60.2 -54.9 85.0 19.1 39.6 160 168 A K H 3< S+ 0 0 138 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.864 107.1 57.8 -53.7 -39.4 85.5 15.4 40.0 161 169 A V H 3< S- 0 0 45 -4,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.846 131.1 -16.2 -61.8 -35.4 82.0 14.7 38.7 162 170 A D X< - 0 0 50 -4,-1.4 3,-2.1 -3,-0.8 -1,-0.2 -0.675 53.0-139.5-176.3 117.8 82.5 16.5 35.4 163 171 A S T 3 S+ 0 0 81 1,-0.3 -3,-0.1 -3,-0.2 -4,-0.1 0.599 99.8 67.3 -52.1 -21.8 85.2 18.9 34.4 164 172 A E T 3 S+ 0 0 110 -6,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.352 72.9 115.7 -85.7 4.5 82.7 21.0 32.6 165 173 A Y < - 0 0 19 -3,-2.1 2,-0.4 -7,-0.2 24,-0.2 -0.409 48.5-161.0 -72.9 155.7 80.9 22.0 35.7 166 174 A I E +B 188 0B 56 22,-1.6 22,-1.3 -2,-0.1 2,-0.4 -0.900 14.8 178.0-139.5 102.9 80.9 25.6 36.5 167 175 A A E -B 187 0B 24 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.841 5.0-177.6-112.4 154.4 80.1 26.4 40.0 168 176 A T E -B 186 0B 28 18,-1.7 18,-3.5 -2,-0.4 2,-0.9 -0.991 22.3-142.4-150.5 136.5 80.0 29.7 41.8 169 177 A V E +B 185 0B 10 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.823 30.2 176.8-103.5 102.0 79.4 30.9 45.2 170 178 A C + 0 0 2 14,-1.5 14,-0.4 -2,-0.9 3,-0.3 0.037 31.6 79.7 -84.2-161.7 77.5 34.0 45.1 171 179 A G S >> S- 0 0 22 93,-0.3 3,-1.1 1,-0.2 4,-1.1 -0.307 105.2 -51.7 90.9-177.8 76.2 36.0 48.0 172 180 A S H 3> S+ 0 0 27 1,-0.3 4,-0.9 2,-0.3 5,-0.3 0.782 131.9 73.2 -63.7 -27.1 78.0 38.4 50.3 173 181 A F H 34 S+ 0 0 13 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.865 103.2 41.3 -48.2 -40.1 80.5 35.5 50.7 174 182 A R H <4 S+ 0 0 51 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.3 0.798 109.7 57.7 -73.3 -42.3 81.4 36.6 47.2 175 183 A R H < S- 0 0 68 -4,-1.1 -2,-0.2 90,-0.2 -1,-0.2 0.392 126.4 -92.7 -74.6 -2.8 81.2 40.3 47.9 176 184 A G < + 0 0 35 -4,-0.9 -3,-0.1 -3,-0.3 -4,-0.1 -0.365 67.7 163.8 119.9 -50.8 83.8 40.0 50.7 177 185 A A - 0 0 38 -5,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.552 40.0-137.7 -7.3 128.8 81.5 39.5 53.8 178 186 A E S S+ 0 0 141 1,-0.2 -34,-3.3 -35,-0.1 -33,-0.4 0.698 86.7 7.8 -69.1 -23.7 83.1 38.2 57.0 179 187 A S E -A 143 0A 31 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.984 68.9-157.7-157.0 150.5 80.2 35.9 57.6 180 188 A S E -A 142 0A 3 -38,-3.5 -38,-3.6 -2,-0.3 3,-0.1 -0.803 21.8-127.1-130.2 173.7 77.1 34.9 55.7 181 189 A G S S- 0 0 38 -2,-0.3 65,-0.3 1,-0.2 2,-0.2 0.942 84.4 -11.5 -79.3 -59.0 73.7 33.4 56.4 182 190 A D S S- 0 0 88 63,-0.1 2,-0.6 -40,-0.1 -1,-0.2 -0.802 75.5 -97.8-135.9 172.6 73.5 30.4 54.2 183 191 A M E - c 0 247B 2 63,-2.4 65,-2.5 -2,-0.2 2,-0.6 -0.890 34.1-167.8-103.1 125.4 75.6 29.0 51.2 184 192 A D E - c 0 248B 27 -2,-0.6 -14,-1.5 -14,-0.4 2,-0.5 -0.897 1.9-170.1-118.0 110.3 74.4 29.7 47.7 185 193 A V E -Bc 169 249B 3 63,-3.4 65,-2.0 -2,-0.6 2,-0.5 -0.808 9.3-153.8-104.4 125.7 75.8 28.0 44.8 186 194 A L E -Bc 168 250B 3 -18,-3.5 -18,-1.7 -2,-0.5 2,-0.4 -0.790 21.8-167.3 -93.2 132.6 75.2 28.9 41.1 187 195 A L E +Bc 167 251B 2 63,-3.0 65,-2.6 -2,-0.5 2,-0.3 -0.956 17.9 148.9-131.8 145.2 75.5 26.1 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.3 -22,-1.6 -2,-0.4 3,-0.1 -0.972 19.2-157.4-158.6 167.2 75.8 25.5 35.0 189 197 A H E > - c 0 253B 12 63,-0.6 3,-1.2 -2,-0.3 65,-0.8 -0.961 30.3-118.4-149.5 151.5 77.2 23.3 32.5 190 198 A P T 3 S+ 0 0 63 0, 0.0 65,-0.1 0, 0.0 64,-0.1 0.914 113.5 60.9 -56.2 -49.5 78.0 23.7 28.7 191 199 A S T 3 S+ 0 0 66 1,-0.1 2,-0.4 63,-0.1 11,-0.1 0.169 98.2 80.1 -64.7 14.4 75.6 21.0 27.8 192 200 A F < + 0 0 14 -3,-1.2 62,-4.2 60,-0.1 63,-0.4 -0.945 57.5 132.6-137.7 122.3 72.8 23.2 29.3 193 201 A T - 0 0 33 -2,-0.4 3,-0.2 60,-0.3 5,-0.1 -0.985 63.0 -73.4-170.9 158.4 71.1 26.1 28.0 194 202 A S S S+ 0 0 70 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.464 128.4 19.0 -7.6 -50.8 68.1 28.2 27.1 195 203 A E S S+ 0 0 160 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.836 96.3 105.5 -96.8 -49.8 66.9 25.9 24.3 196 204 A S S S- 0 0 37 -3,-0.2 2,-0.6 1,-0.2 -3,-0.3 -0.067 80.7-121.5 -37.6 107.3 68.8 22.8 25.2 197 205 A T - 0 0 129 -5,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.535 50.5 -68.9 -71.8 119.5 66.0 20.7 26.5 198 206 A K - 0 0 92 -2,-0.6 -5,-0.1 1,-0.1 -1,-0.0 0.706 30.3-163.6 24.7 178.0 66.8 19.8 30.0 199 207 A Q + 0 0 75 25,-0.1 4,-0.5 -7,-0.1 3,-0.4 -0.216 10.3 177.3 169.5 80.2 69.2 17.5 31.7 200 208 A P S >> S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 3,-1.3 0.830 80.5 65.0 -63.2 -36.9 68.0 16.9 35.3 201 209 A K H 3> S+ 0 0 111 1,-0.3 4,-3.6 2,-0.2 5,-0.4 0.883 86.2 73.2 -50.4 -44.6 70.9 14.7 35.9 202 210 A L H 34 S+ 0 0 3 -3,-0.4 4,-0.4 1,-0.3 -1,-0.3 0.802 108.4 31.3 -38.6 -48.0 73.0 17.7 35.5 203 211 A L H <> S+ 0 0 0 -3,-1.3 4,-1.5 -4,-0.5 3,-0.4 0.887 119.6 52.2 -80.4 -43.7 71.8 18.8 38.9 204 212 A H H X S+ 0 0 43 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.700 96.3 67.0 -68.6 -24.8 71.2 15.4 40.6 205 213 A Q H X S+ 0 0 76 -4,-3.6 4,-1.5 -5,-0.2 -1,-0.2 0.904 107.2 39.9 -68.1 -34.6 74.7 14.0 39.9 206 214 A V H > S+ 0 0 1 -3,-0.4 4,-3.4 -4,-0.4 5,-0.3 0.931 108.4 59.3 -77.9 -41.0 76.3 16.5 42.1 207 215 A V H X S+ 0 0 1 -4,-1.5 4,-1.4 1,-0.3 9,-0.2 0.921 108.6 48.0 -48.0 -47.2 73.7 16.5 44.9 208 216 A E H X S+ 0 0 116 -4,-1.6 4,-2.9 2,-0.2 -1,-0.3 0.903 108.7 52.6 -58.3 -51.0 74.4 12.9 45.2 209 217 A Q H X S+ 0 0 29 -4,-1.5 4,-2.0 1,-0.3 5,-0.3 0.956 107.4 52.2 -54.8 -49.7 78.2 13.4 45.3 210 218 A L H X>S+ 0 0 0 -4,-3.4 5,-2.2 1,-0.3 6,-2.0 0.858 113.2 44.4 -58.3 -30.9 77.9 15.9 48.0 211 219 A Q H <5S+ 0 0 67 -4,-1.4 3,-0.4 -5,-0.3 -1,-0.3 0.869 105.3 65.3 -79.3 -32.2 75.9 13.4 49.9 212 220 A K H <5S+ 0 0 142 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.1 0.962 110.9 33.4 -47.5 -69.8 78.4 10.7 49.0 213 221 A V H <5S- 0 0 60 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.497 118.7-110.9 -65.4 -10.5 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63.6 19.8 42.1 224 232 A E S S+ 0 0 97 1,-0.2 -21,-0.3 -2,-0.1 -25,-0.1 0.562 121.4 17.2 -87.3 -3.0 65.2 19.5 38.7 225 233 A T S S+ 0 0 53 1,-0.3 26,-2.3 -22,-0.1 2,-0.4 0.532 122.3 50.4-140.2 -4.4 66.8 22.7 38.8 226 234 A K E - E 0 250B 99 24,-0.2 -3,-2.2 2,-0.0 2,-0.5 -0.978 56.1-166.6-143.5 123.5 66.9 23.8 42.3 227 235 A F E -DE 222 249B 0 22,-3.0 22,-2.2 -2,-0.4 2,-0.6 -0.936 1.2-167.9-115.5 133.1 68.0 22.1 45.3 228 236 A M E +DE 221 248B 39 -7,-4.3 -8,-3.0 -2,-0.5 -7,-2.1 -0.944 33.6 127.3-115.6 108.3 67.3 23.2 48.9 229 237 A G E -DE 219 247B 0 18,-3.3 18,-2.8 -2,-0.6 2,-0.3 -0.608 50.1 -95.2-142.6-158.1 69.3 21.4 51.6 230 238 A V E -DE 218 246B 0 -12,-1.6 -13,-4.1 16,-0.3 -12,-0.6 -0.971 33.0-176.7-129.0 134.1 71.6 21.1 54.7 231 239 A C E -DE 216 245B 1 14,-2.8 14,-2.0 -2,-0.3 2,-0.3 -0.819 7.9-158.7-131.8 177.1 75.4 20.6 54.8 232 240 A Q - 0 0 26 -17,-1.5 12,-0.1 -2,-0.3 3,-0.1 -0.864 22.2-127.0-166.3 128.8 78.2 20.1 57.2 233 241 A L - 0 0 6 10,-0.3 9,-0.6 -2,-0.3 3,-0.1 -0.608 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