==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 29-JUN-04 1TVA . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.M.KRAHN,W.A.BEARD,S.H.WILSON . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 67.7 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 8.2 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 . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 38.1 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 0 1 2 0 0 1 0 1 0 1 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 5 A K 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.8 13.0 -15.7 5.1 2 6 A A - 0 0 79 43,-0.0 42,-0.1 44,-0.0 43,-0.1 -0.961 360.0 -86.3-161.4 145.6 16.5 -14.4 6.0 3 7 A P - 0 0 41 0, 0.0 42,-0.1 0, 0.0 5,-0.0 -0.278 54.1-104.5 -57.0 138.2 19.9 -15.9 6.7 4 8 A Q >> - 0 0 139 1,-0.1 3,-1.5 42,-0.0 4,-0.6 -0.250 22.8-113.6 -64.3 152.8 20.4 -16.8 10.3 5 9 A E H 3> S+ 0 0 175 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.794 113.1 74.8 -54.5 -27.4 22.6 -14.7 12.6 6 10 A T H 34 S+ 0 0 100 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.851 87.7 58.8 -53.6 -43.7 24.9 -17.8 12.7 7 11 A L H <4 S- 0 0 48 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.973 134.3 -13.5 -53.5 -71.9 26.1 -17.1 9.1 8 12 A N H X S+ 0 0 12 -4,-0.6 4,-2.9 37,-0.1 5,-0.2 -0.050 91.3 124.3-129.1 34.8 27.7 -13.7 9.4 9 13 A G H X S+ 0 0 7 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.819 74.2 56.3 -63.9 -34.1 26.5 -12.3 12.7 10 14 A G H > S+ 0 0 34 -5,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.916 112.8 41.9 -64.4 -41.8 30.0 -11.7 14.0 11 15 A I H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.955 115.6 48.0 -69.9 -49.9 30.7 -9.5 11.0 12 16 A T H X S+ 0 0 20 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.859 112.8 49.0 -60.7 -37.1 27.3 -7.8 11.0 13 17 A D H X S+ 0 0 98 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.912 110.2 51.5 -66.7 -43.5 27.6 -7.1 14.7 14 18 A M H X S+ 0 0 5 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.943 111.8 46.8 -58.0 -47.5 31.1 -5.7 14.3 15 19 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.855 111.8 51.2 -64.8 -34.1 29.8 -3.4 11.5 16 20 A T H X S+ 0 0 61 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.884 109.5 49.6 -72.2 -37.5 26.9 -2.3 13.7 17 21 A E H X S+ 0 0 72 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.961 113.0 46.0 -64.7 -49.8 29.1 -1.5 16.6 18 22 A L H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.856 109.9 57.5 -60.0 -32.8 31.4 0.6 14.4 19 23 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.961 108.7 44.0 -61.9 -49.5 28.3 2.1 13.0 20 24 A N H X S+ 0 0 50 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.896 111.3 53.8 -62.8 -41.7 27.2 3.3 16.4 21 25 A F H X>S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 5,-2.0 0.871 107.7 51.0 -60.9 -41.2 30.6 4.6 17.4 22 26 A E H <>S+ 0 0 20 -4,-2.0 6,-3.2 3,-0.2 5,-0.8 0.890 117.6 37.8 -64.4 -42.3 30.9 6.7 14.2 23 27 A K H <5S+ 0 0 58 -4,-1.7 -2,-0.2 4,-0.3 6,-0.2 0.946 126.3 34.9 -76.2 -46.3 27.5 8.4 14.8 24 28 A N H <5S+ 0 0 7 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.820 134.3 17.7 -80.4 -33.9 27.7 8.7 18.5 25 29 A V T <5S+ 0 0 16 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.843 131.7 35.7-106.7 -48.3 31.4 9.4 19.1 26 30 A S T > + 0 0 29 -6,-3.2 4,-1.6 1,-0.1 3,-0.9 -0.694 24.3 175.0-125.3 74.5 30.2 11.0 11.3 29 33 A I H 3> S+ 0 0 81 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.787 77.7 55.2 -52.6 -35.6 26.6 10.2 10.3 30 34 A H H 3> S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.849 108.2 47.8 -70.4 -34.1 27.6 9.3 6.8 31 35 A K H <> S+ 0 0 122 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.770 109.2 56.9 -73.8 -26.5 30.1 6.7 8.0 32 36 A Y H X S+ 0 0 30 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.949 111.3 40.2 -67.1 -49.2 27.4 5.5 10.3 33 37 A N H X S+ 0 0 67 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.814 111.3 58.8 -69.9 -28.5 25.0 4.9 7.4 34 38 A A H X S+ 0 0 48 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.951 110.1 43.3 -63.9 -47.2 28.0 3.5 5.3 35 39 A Y H X S+ 0 0 24 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.906 113.1 50.3 -64.6 -45.7 28.5 0.8 8.0 36 40 A R H X S+ 0 0 115 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.880 109.3 52.7 -60.4 -39.2 24.8 0.0 8.5 37 41 A K H X S+ 0 0 117 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.954 110.1 48.0 -60.2 -49.5 24.5 -0.4 4.7 38 42 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 22,-0.3 -2,-0.2 0.879 111.5 50.8 -58.6 -40.9 27.4 -2.8 4.8 39 43 A A H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.873 110.1 50.0 -65.6 -39.5 25.8 -4.7 7.7 40 44 A S H X S+ 0 0 68 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.958 109.8 47.6 -64.4 -55.7 22.4 -5.0 5.9 41 45 A V H X S+ 0 0 26 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.836 115.5 47.2 -58.7 -31.0 23.8 -6.3 2.6 42 46 A I H < S+ 0 0 1 -4,-1.5 3,-0.3 -5,-0.3 -1,-0.2 0.849 104.9 59.1 -78.6 -32.2 25.9 -8.9 4.6 43 47 A A H < S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.658 109.5 46.2 -68.6 -14.0 22.8 -9.8 6.8 44 48 A K H < S+ 0 0 121 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.629 83.5 111.2 -98.9 -22.3 21.2 -10.8 3.5 45 49 A Y < - 0 0 46 -4,-0.7 -37,-0.1 -3,-0.3 4,-0.1 -0.413 58.5-154.3 -59.0 116.4 24.1 -12.7 2.2 46 50 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.065 68.9 72.3 -85.0 32.4 23.0 -16.4 2.2 47 51 A H S S- 0 0 110 -2,-0.1 2,-0.8 -44,-0.0 -2,-0.0 -0.996 88.3-107.4-147.9 146.3 26.6 -17.7 2.5 48 52 A K - 0 0 134 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.1 -0.650 43.8-123.9 -76.6 109.7 29.3 -17.8 5.2 49 53 A I - 0 0 5 -2,-0.8 3,-0.1 1,-0.2 -1,-0.1 -0.322 27.5-174.8 -58.5 128.4 31.8 -15.2 4.1 50 54 A K + 0 0 174 1,-0.2 2,-0.3 -2,-0.0 -1,-0.2 0.573 65.5 10.0-100.5 -15.4 35.3 -16.7 3.8 51 55 A S > - 0 0 39 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.992 68.0-114.0-160.5 160.0 37.2 -13.5 3.0 52 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 15,-0.1 0.806 117.3 58.6 -66.8 -29.6 37.0 -9.7 2.8 53 57 A A H > S+ 0 0 65 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.863 102.3 53.2 -67.1 -36.4 37.4 -10.0 -0.9 54 58 A E H >4 S+ 0 0 35 1,-0.2 3,-0.8 -3,-0.2 -2,-0.2 0.931 112.6 44.2 -63.3 -44.7 34.3 -12.2 -1.1 55 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.4 1,-0.2 6,-0.2 0.816 98.2 73.0 -69.5 -31.6 32.3 -9.5 0.8 56 60 A K H 3< S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 5,-0.2 0.755 84.1 69.3 -55.3 -26.4 33.8 -6.7 -1.3 57 61 A K T << S+ 0 0 181 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.748 83.2 93.2 -65.1 -22.9 31.6 -7.8 -4.2 58 62 A L S X S- 0 0 24 -3,-2.4 3,-1.7 -4,-0.2 2,-0.8 -0.451 90.5-105.8 -77.1 142.8 28.6 -6.6 -2.3 59 63 A P T 3 S+ 0 0 94 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.567 108.9 28.5 -70.4 106.1 27.2 -3.1 -2.8 60 64 A G T 3 S+ 0 0 33 -2,-0.8 2,-0.6 1,-0.3 -22,-0.3 0.186 96.4 99.6 127.8 -13.5 28.2 -1.1 0.2 61 65 A V < + 0 0 8 -3,-1.7 -1,-0.3 -6,-0.2 2,-0.2 -0.925 48.1 168.7-108.6 115.5 31.4 -3.0 1.2 62 66 A G > - 0 0 33 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.424 51.5 -69.6-111.9-168.9 34.6 -1.4 0.1 63 67 A T H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 125.1 52.9 -49.3 -54.2 38.3 -1.8 0.7 64 68 A K H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 113.6 41.9 -52.1 -50.5 38.3 -0.6 4.3 65 69 A I H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.835 110.5 57.9 -69.2 -29.9 35.6 -3.0 5.4 66 70 A A H X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.923 107.2 48.9 -64.2 -41.8 37.1 -5.8 3.4 67 71 A E H X S+ 0 0 116 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.869 110.6 50.1 -63.2 -41.3 40.3 -5.3 5.4 68 72 A K H X S+ 0 0 25 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.896 108.6 51.8 -65.5 -42.2 38.4 -5.4 8.7 69 73 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.893 108.6 51.9 -62.3 -39.9 36.5 -8.6 7.7 70 74 A D H X S+ 0 0 75 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.904 111.3 46.6 -63.7 -41.1 39.9 -10.2 7.0 71 75 A E H X S+ 0 0 65 -4,-1.8 4,-1.7 2,-0.2 6,-0.5 0.910 115.0 47.0 -66.5 -43.0 41.2 -9.2 10.4 72 76 A F H X S+ 0 0 44 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.909 112.8 48.1 -64.7 -46.5 38.1 -10.5 12.1 73 77 A L H < S+ 0 0 68 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 116.0 44.8 -63.5 -37.5 38.0 -13.8 10.2 74 78 A A H < S+ 0 0 85 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.744 132.7 16.1 -79.7 -24.7 41.7 -14.4 11.0 75 79 A T H < S- 0 0 78 -4,-1.7 -3,-0.2 2,-0.3 -2,-0.2 0.659 93.8-118.6-120.9 -28.4 41.6 -13.4 14.6 76 80 A G S < S+ 0 0 49 -4,-2.7 2,-0.3 -5,-0.4 -4,-0.2 0.400 86.9 50.9 100.2 -1.9 38.0 -13.3 15.9 77 81 A K S S- 0 0 100 -6,-0.5 2,-0.4 -5,-0.1 -1,-0.3 -0.913 75.5-117.5-153.9 175.7 38.1 -9.6 16.7 78 82 A L > - 0 0 6 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.998 16.2-148.8-123.8 124.2 39.0 -6.2 15.5 79 83 A R H > S+ 0 0 194 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.924 97.1 53.2 -58.1 -46.6 41.8 -4.3 17.4 80 84 A K H > S+ 0 0 148 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.799 115.3 40.3 -60.4 -31.6 40.2 -0.8 16.7 81 85 A L H > S+ 0 0 6 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.876 110.2 56.9 -83.7 -41.4 36.9 -1.9 18.1 82 86 A E H X S+ 0 0 77 -4,-2.7 4,-0.7 1,-0.3 -2,-0.2 0.841 110.8 47.0 -56.9 -32.7 38.4 -3.9 21.0 83 87 A K H X S+ 0 0 124 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.3 0.779 109.5 52.4 -80.3 -30.4 40.1 -0.6 22.0 84 88 A I H < S+ 0 0 32 -4,-0.8 3,-0.5 -3,-0.2 7,-0.2 0.886 104.4 56.1 -72.3 -40.4 36.9 1.5 21.6 85 89 A R H < S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.798 110.4 45.5 -61.7 -32.2 34.9 -0.9 23.9 86 90 A Q H < S+ 0 0 125 -4,-0.7 2,-0.4 -5,-0.2 -1,-0.2 0.640 87.3 104.0 -86.8 -16.2 37.5 -0.4 26.7 87 91 A D X - 0 0 69 -4,-0.7 4,-2.0 -3,-0.5 5,-0.2 -0.548 61.5-153.7 -70.4 122.5 37.7 3.4 26.3 88 92 A D H > S+ 0 0 96 -2,-0.4 4,-2.2 2,-0.2 5,-0.2 0.882 91.7 47.2 -64.1 -41.6 35.8 5.0 29.1 89 93 A T H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 114.4 44.4 -66.6 -50.7 35.0 8.2 27.2 90 94 A S H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.866 115.9 48.1 -63.2 -40.0 33.8 6.5 24.0 91 95 A S H X S+ 0 0 46 -4,-2.0 4,-2.7 -7,-0.2 -1,-0.2 0.929 113.0 47.1 -67.6 -45.7 31.8 4.0 25.9 92 96 A S H X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.933 114.5 46.1 -61.2 -49.1 30.1 6.5 28.1 93 97 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.963 113.2 50.6 -57.4 -51.4 29.3 8.9 25.2 94 98 A N H < S+ 0 0 52 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.904 112.9 47.4 -53.7 -45.2 28.0 5.9 23.2 95 99 A F H >< S+ 0 0 54 -4,-2.7 3,-2.3 1,-0.2 -1,-0.2 0.924 105.3 55.5 -63.8 -52.4 25.8 4.9 26.2 96 100 A L H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.764 95.9 67.9 -54.4 -28.4 24.3 8.2 27.0 97 101 A T T 3< S+ 0 0 23 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.606 81.8 75.9 -69.4 -10.5 23.0 8.6 23.4 98 102 A R T < S+ 0 0 122 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.3 0.579 77.4 91.6 -75.2 -7.8 20.6 5.7 24.2 99 103 A V S X S- 0 0 3 -3,-1.7 3,-2.0 -4,-0.2 2,-0.3 -0.756 90.5-116.3 -87.4 128.2 18.6 8.2 26.1 100 104 A S T 3 S+ 0 0 40 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.520 104.5 28.7 -65.6 127.0 15.9 9.9 23.9 101 105 A G T 3 S+ 0 0 30 -2,-0.3 2,-0.7 1,-0.2 -1,-0.3 0.071 99.2 99.1 108.5 -24.5 16.8 13.5 23.7 102 106 A I < + 0 0 6 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.2 -0.889 50.0 170.5-101.7 112.4 20.5 13.0 24.1 103 107 A G > - 0 0 28 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.336 53.1 -73.5-103.5-168.8 22.4 13.0 20.9 104 108 A P H > S+ 0 0 41 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.850 129.0 49.2 -55.3 -42.3 26.1 13.0 20.0 105 109 A S H > S+ 0 0 67 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.910 114.6 40.8 -68.8 -46.4 26.6 16.6 21.1 106 110 A A H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 113.1 55.3 -68.9 -43.1 24.8 16.5 24.5 107 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.886 106.8 53.0 -55.5 -39.0 26.4 13.1 25.2 108 112 A R H X S+ 0 0 67 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.946 109.1 46.8 -62.3 -50.7 29.8 14.7 24.6 109 113 A K H X S+ 0 0 122 -4,-1.7 4,-1.5 1,-0.2 6,-0.2 0.917 110.7 52.4 -59.7 -46.1 29.2 17.6 27.0 110 114 A F H <>S+ 0 0 12 -4,-2.5 5,-2.0 1,-0.2 3,-0.4 0.923 112.3 44.7 -57.2 -47.6 28.0 15.3 29.8 111 115 A V H ><5S+ 0 0 12 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.881 108.5 56.6 -66.2 -36.4 31.1 13.1 29.5 112 116 A D H 3<5S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 111.9 45.5 -62.9 -28.1 33.4 16.1 29.4 113 117 A E T 3<5S- 0 0 110 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.280 124.4-101.9 -97.9 5.9 31.8 17.1 32.7 114 118 A G T < 5S+ 0 0 38 -3,-1.5 2,-0.8 1,-0.3 -3,-0.2 0.233 80.4 132.3 94.4 -17.0 32.0 13.7 34.3 115 119 A I < + 0 0 9 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.632 19.1 143.1 -72.3 108.3 28.3 12.8 33.8 116 120 A K + 0 0 73 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.464 49.5 47.2-127.5 -8.4 28.7 9.3 32.3 117 121 A T S > S- 0 0 49 1,-0.1 4,-1.7 -22,-0.1 5,-0.1 -0.816 82.9-105.9-132.1 172.8 25.8 7.2 33.7 118 122 A L H > S+ 0 0 21 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.902 122.8 55.6 -64.6 -37.4 22.0 7.3 34.2 119 123 A E H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 104.7 51.6 -61.2 -40.3 22.8 7.8 37.9 120 124 A D H 4 S+ 0 0 38 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.888 107.9 53.6 -65.3 -36.4 24.9 10.8 37.0 121 125 A L H >< S+ 0 0 1 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.902 104.7 53.4 -63.6 -43.2 21.9 12.1 35.0 122 126 A R H >< S+ 0 0 134 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.877 107.7 50.7 -60.1 -38.8 19.5 11.8 38.0 123 127 A K T 3< S+ 0 0 158 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.560 117.3 42.5 -75.6 -9.5 21.8 13.9 40.2 124 128 A N T X + 0 0 39 -3,-1.2 3,-2.3 -4,-0.4 -1,-0.2 -0.076 65.8 137.0-129.7 37.0 21.9 16.5 37.4 125 129 A E G X + 0 0 85 -3,-1.0 3,-1.9 1,-0.3 -1,-0.1 0.787 69.6 65.6 -53.2 -32.5 18.3 16.8 36.2 126 130 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.741 97.1 56.8 -63.3 -22.7 18.6 20.6 36.1 127 131 A K G < S+ 0 0 103 -3,-2.3 2,-0.3 -6,-0.2 -1,-0.3 0.382 96.6 81.6 -88.9 1.5 21.2 20.1 33.3 128 132 A L S < S- 0 0 6 -3,-1.9 2,-0.1 -4,-0.2 -26,-0.0 -0.796 74.3-132.1-107.3 149.7 18.7 18.2 31.2 129 133 A N > - 0 0 81 -2,-0.3 4,-2.1 -28,-0.1 5,-0.2 -0.383 38.4 -91.2 -89.8 176.8 15.9 19.6 29.0 130 134 A H H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.907 125.3 48.4 -55.1 -46.9 12.3 18.4 29.0 131 135 A H H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.970 110.3 51.2 -58.1 -56.3 12.8 15.8 26.3 132 136 A Q H > S+ 0 0 16 -31,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.854 107.1 53.6 -50.5 -41.9 15.9 14.3 27.9 133 137 A R H X S+ 0 0 99 -4,-2.1 4,-3.5 2,-0.2 -1,-0.2 0.903 109.3 47.9 -63.3 -42.2 14.2 13.9 31.3 134 138 A I H X S+ 0 0 9 -4,-1.8 4,-2.1 -3,-0.4 -1,-0.2 0.926 110.9 52.2 -64.3 -40.4 11.3 12.0 29.7 135 139 A G H < S+ 0 0 0 -4,-2.6 -2,-0.2 -35,-0.4 -1,-0.2 0.910 114.4 43.0 -59.6 -40.9 14.0 9.9 27.9 136 140 A L H >< S+ 0 0 8 -4,-2.5 3,-2.6 2,-0.2 4,-0.3 0.981 110.5 53.9 -67.1 -57.4 15.6 9.3 31.3 137 141 A K H 3< S+ 0 0 134 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 123.5 29.5 -47.0 -35.4 12.4 8.6 33.2 138 142 A Y T 3X S+ 0 0 16 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.3 0.059 79.3 132.0-116.9 25.7 11.5 6.0 30.6 139 143 A F T <4 S+ 0 0 25 -3,-2.6 4,-0.5 1,-0.2 -1,-0.1 0.897 80.7 36.0 -41.5 -62.3 15.0 4.8 29.6 140 144 A G T >4 S+ 0 0 42 -4,-0.3 3,-1.6 1,-0.2 4,-0.4 0.916 114.7 55.4 -61.0 -47.6 14.2 1.1 29.9 141 145 A D G >4 S+ 0 0 38 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.900 103.1 56.8 -53.7 -43.4 10.6 1.3 28.6 142 146 A F G 3< S+ 0 0 44 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.605 102.5 55.1 -66.2 -14.9 11.7 3.0 25.4 143 147 A E G < S+ 0 0 93 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.443 88.7 97.6 -97.8 0.8 14.1 0.1 24.5 144 148 A K S < S- 0 0 115 -3,-1.6 2,-0.1 -4,-0.4 -3,-0.0 -0.667 74.2-121.9 -90.5 144.1 11.3 -2.5 24.7 145 149 A R - 0 0 137 -2,-0.3 40,-0.2 1,-0.0 -1,-0.1 -0.329 19.5-125.2 -77.8 162.6 9.5 -3.8 21.6 146 150 A I E -A 184 0A 0 38,-2.9 38,-1.9 40,-0.1 40,-0.1 -0.939 20.5-137.6-114.6 109.8 5.7 -3.5 21.2 147 151 A P E >> -A 183 0A 53 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.391 23.2-115.0 -66.2 143.9 3.9 -6.8 20.5 148 152 A R H 3> S+ 0 0 69 34,-2.2 4,-2.5 1,-0.3 5,-0.2 0.811 112.6 60.3 -47.1 -40.7 1.2 -6.6 17.8 149 153 A E H 3> S+ 0 0 118 33,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.907 107.7 45.4 -57.8 -42.2 -1.6 -7.4 20.3 150 154 A E H <> S+ 0 0 33 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.887 110.3 53.6 -68.5 -37.9 -0.7 -4.3 22.4 151 155 A M H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.882 107.7 52.5 -62.8 -37.5 -0.5 -2.2 19.2 152 156 A L H X S+ 0 0 53 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.952 110.2 46.0 -63.4 -46.8 -4.0 -3.4 18.4 153 157 A Q H X S+ 0 0 47 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.871 113.1 51.5 -63.2 -35.1 -5.3 -2.4 21.8 154 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.902 108.9 49.8 -67.0 -41.0 -3.5 0.9 21.3 155 159 A Q H X S+ 0 0 46 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.895 105.7 58.3 -63.6 -41.0 -5.1 1.4 17.9 156 160 A D H X S+ 0 0 101 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.947 109.4 43.6 -52.4 -53.3 -8.5 0.7 19.5 157 161 A I H X S+ 0 0 35 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.899 115.4 47.8 -61.1 -44.8 -8.1 3.6 21.9 158 162 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.965 114.2 43.8 -63.9 -54.2 -6.7 6.0 19.3 159 163 A L H X S+ 0 0 68 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.876 114.8 52.2 -59.1 -38.0 -9.4 5.4 16.7 160 164 A N H X S+ 0 0 90 -4,-2.2 4,-1.4 -5,-0.4 -1,-0.2 0.936 113.9 40.5 -64.6 -49.1 -12.1 5.5 19.3 161 165 A E H X S+ 0 0 16 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.873 113.0 52.9 -69.8 -40.0 -11.0 8.8 20.8 162 166 A V H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.942 111.4 47.0 -60.8 -47.2 -10.3 10.6 17.6 163 167 A K H < S+ 0 0 145 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.856 108.7 56.6 -62.3 -34.9 -13.7 9.7 16.2 164 168 A K H < S+ 0 0 119 -4,-1.4 -1,-0.2 1,-0.2 3,-0.2 0.834 105.4 50.6 -66.1 -33.8 -15.2 10.8 19.5 165 169 A V H < S- 0 0 37 -4,-1.6 2,-0.2 -3,-0.4 -1,-0.2 0.858 140.2 -16.2 -71.2 -38.9 -13.6 14.3 19.1 166 170 A D >< - 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0 0 102 -4,-0.2 2,-0.6 1,-0.0 -1,-0.1 -0.567 31.5-156.7 -76.3 93.2 10.6 20.8 -14.4 303 307 A A - 0 0 39 -2,-1.3 -6,-0.2 -6,-0.2 -16,-0.0 -0.601 13.6-155.4 -72.4 113.6 8.3 19.2 -11.8 304 308 A G - 0 0 29 -8,-2.2 3,-0.1 -2,-0.6 -1,-0.1 0.076 43.1 -38.5 -75.3-165.1 4.8 20.7 -12.4 305 309 A E S S- 0 0 164 1,-0.1 -1,-0.2 -10,-0.1 2,-0.0 -0.229 78.6 -88.5 -58.4 143.2 2.0 21.1 -10.0 306 310 A P - 0 0 63 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.307 46.8-114.6 -56.0 131.3 1.5 18.1 -7.6 307 311 A L - 0 0 43 -13,-2.7 -13,-0.4 -3,-0.1 2,-0.1 -0.433 36.6 -96.4 -70.0 141.7 -0.7 15.4 -9.1 308 312 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.389 42.0-170.0 -62.2 129.8 -4.1 14.8 -7.3 309 313 A V + 0 0 11 -50,-0.3 -47,-0.2 -2,-0.1 -48,-0.2 -0.987 23.3 161.0-125.7 132.3 -4.1 11.9 -4.8 310 314 A D S S+ 0 0 119 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.320 72.5 6.5-129.9 3.4 -7.1 10.4 -3.1 311 315 A S S > S- 0 0 37 1,-0.1 4,-0.8 0, 0.0 -1,-0.4 -0.955 77.9-100.3-173.0 165.5 -5.8 7.0 -2.1 312 316 A E H > S+ 0 0 9 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 0.820 119.9 60.5 -66.5 -30.8 -2.5 5.0 -2.0 313 317 A K H > S+ 0 0 108 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 94.0 62.7 -63.4 -41.3 -3.6 3.2 -5.1 314 318 A D H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 104.1 49.5 -51.2 -39.8 -3.8 6.5 -7.0 315 319 A I H X S+ 0 0 0 -4,-0.8 4,-1.4 -3,-0.3 -1,-0.2 0.950 110.8 47.5 -65.6 -51.6 -0.0 6.8 -6.4 316 320 A F H < S+ 0 0 0 -4,-1.6 5,-0.5 1,-0.2 -2,-0.2 0.895 113.0 50.1 -57.1 -42.0 0.8 3.3 -7.6 317 321 A D H >< S+ 0 0 63 -4,-2.9 3,-2.5 3,-0.2 4,-0.2 0.934 102.7 59.6 -62.7 -49.0 -1.4 3.8 -10.7 318 322 A Y H 3< S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.9 47.4 -46.0 -45.9 0.3 7.1 -11.7 319 323 A I T 3< S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.092 126.0-101.0 -87.7 23.2 3.6 5.4 -11.9 320 324 A Q S < S+ 0 0 122 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.993 81.8 121.1 54.9 72.8 2.2 2.5 -14.0 321 325 A W - 0 0 80 -5,-0.5 2,-0.3 -4,-0.2 -1,-0.2 -0.997 62.9-108.2-161.8 160.5 2.0 -0.0 -11.2 322 326 A K - 0 0 173 -2,-0.3 2,-0.2 1,-0.1 -9,-0.0 -0.729 47.5 -97.1 -94.7 141.1 -0.2 -2.3 -9.0 323 327 A Y - 0 0 57 -2,-0.3 2,-0.5 1,-0.1 -10,-0.1 -0.366 36.9-141.7 -59.2 122.2 -1.0 -1.4 -5.4 324 328 A R - 0 0 65 -2,-0.2 5,-0.1 1,-0.0 -1,-0.1 -0.776 18.4-119.3 -89.8 127.2 1.3 -3.3 -3.1 325 329 A E >> - 0 0 87 -2,-0.5 3,-2.9 1,-0.1 4,-0.7 -0.439 22.7-120.6 -65.8 133.6 -0.3 -4.6 0.1 326 330 A P G >4 S+ 0 0 13 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.805 111.2 62.4 -43.3 -38.2 1.4 -3.1 3.2 327 331 A K G 34 S+ 0 0 133 1,-0.2 3,-0.1 -149,-0.1 -148,-0.1 0.673 106.3 45.3 -66.1 -16.6 2.3 -6.6 4.5 328 332 A D G X4 S+ 0 0 91 -3,-2.9 2,-1.7 1,-0.1 3,-0.8 0.515 81.1 100.8-103.9 -7.1 4.5 -7.1 1.4 329 333 A R T << + 0 0 0 -3,-1.0 -55,-0.3 -4,-0.7 -1,-0.1 -0.019 44.5 114.7 -71.8 37.2 6.2 -3.6 1.5 330 334 A S T 3 0 0 79 -2,-1.7 -56,-0.3 -3,-0.1 -57,-0.2 0.876 360.0 360.0 -74.1 -38.8 9.3 -5.2 3.0 331 335 A E < 0 0 103 -3,-0.8 -2,-0.2 -58,-0.1 -54,-0.1 0.440 360.0 360.0-142.4 360.0 11.5 -4.4 0.0