==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 13-SEP-02 1MQ2 . COMPND 2 MOLECULE: 5'-D(*CP*CP*GP*AP*CP*(8OG) . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.M.KRAHN,W.A.BEARD,H.MILLER,A.P.GROLLMAN,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.5 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 . 25 7.7 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 . 22 6.7 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 . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 3 1 0 2 3 0 1 1 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 10 A T 0 0 169 0, 0.0 4,-0.1 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 -51.2 25.4 -18.0 12.5 2 11 A L - 0 0 92 1,-0.1 3,-0.1 2,-0.1 42,-0.1 0.988 360.0 -14.8 -74.6 -74.5 26.3 -17.4 8.9 3 12 A N S > S+ 0 0 12 37,-0.1 4,-2.5 1,-0.1 3,-0.2 0.098 103.9 109.7-119.5 18.9 27.3 -13.7 8.6 4 13 A G H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.828 76.3 55.0 -64.4 -33.5 25.9 -12.6 12.0 5 14 A G H > S+ 0 0 36 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.837 111.6 43.5 -68.8 -34.8 29.4 -12.2 13.5 6 15 A I H > S+ 0 0 5 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.915 113.1 50.7 -75.3 -46.2 30.4 -9.8 10.7 7 16 A T H X S+ 0 0 25 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.885 108.5 52.3 -59.4 -41.4 27.1 -7.9 10.7 8 17 A D H X S+ 0 0 108 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.849 109.7 50.8 -63.6 -34.0 27.4 -7.4 14.5 9 18 A M H X S+ 0 0 5 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.938 111.9 45.3 -68.2 -47.8 30.9 -6.0 13.9 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.842 111.2 53.2 -65.5 -36.7 29.8 -3.6 11.2 11 20 A T H X S+ 0 0 49 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.806 108.3 50.2 -70.1 -30.2 26.8 -2.4 13.3 12 21 A E H X S+ 0 0 72 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.924 111.5 47.0 -73.3 -44.0 29.0 -1.6 16.3 13 22 A L H X S+ 0 0 7 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.798 110.5 57.0 -64.9 -29.0 31.5 0.4 14.2 14 23 A A H X S+ 0 0 3 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.963 108.2 42.8 -66.4 -54.6 28.4 2.1 12.7 15 24 A N H X S+ 0 0 59 -4,-2.0 4,-3.0 1,-0.2 5,-0.4 0.871 112.7 55.5 -59.6 -39.4 27.0 3.3 16.1 16 25 A F H X>S+ 0 0 41 -4,-2.1 4,-2.3 1,-0.2 5,-1.4 0.928 107.0 49.3 -58.1 -48.1 30.5 4.3 17.1 17 26 A E H <5S+ 0 0 13 -4,-2.0 6,-3.9 3,-0.2 -1,-0.2 0.783 115.8 44.6 -63.5 -29.7 30.9 6.5 14.0 18 27 A K H <5S+ 0 0 64 -4,-1.4 -2,-0.2 4,-0.2 -1,-0.2 0.937 125.0 27.4 -80.7 -51.3 27.5 8.1 14.7 19 28 A N H <5S+ 0 0 11 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.872 133.0 27.5 -81.0 -42.7 27.8 8.8 18.5 20 29 A V T <5S+ 0 0 19 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.959 132.6 27.0 -85.0 -67.6 31.6 9.1 19.0 21 30 A S S > + 0 0 24 -6,-3.9 4,-1.7 1,-0.2 3,-0.6 -0.777 22.9 176.0-115.0 83.1 30.2 11.0 11.1 24 33 A I H 3> S+ 0 0 81 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.794 80.1 57.8 -57.3 -29.8 26.6 10.2 10.1 25 34 A H H 3> S+ 0 0 153 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.861 108.2 43.2 -71.3 -37.2 27.9 9.5 6.6 26 35 A K H <> S+ 0 0 110 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.732 112.1 56.8 -79.0 -22.5 30.3 6.7 7.7 27 36 A Y H X S+ 0 0 26 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.957 107.9 45.2 -69.6 -51.8 27.5 5.4 10.0 28 37 A N H X S+ 0 0 73 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.866 111.7 55.4 -58.9 -37.4 25.1 5.0 7.0 29 38 A A H X S+ 0 0 48 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.946 110.7 42.2 -60.9 -52.3 28.0 3.4 5.1 30 39 A Y H X S+ 0 0 31 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.816 115.0 51.8 -64.5 -33.6 28.6 0.8 7.8 31 40 A R H X S+ 0 0 146 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.902 110.6 47.5 -70.0 -41.1 24.9 0.2 8.2 32 41 A K H X S+ 0 0 121 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.857 108.6 55.6 -66.8 -37.1 24.4 -0.3 4.5 33 42 A A H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.866 108.5 47.4 -63.6 -38.1 27.4 -2.7 4.4 34 43 A A H X S+ 0 0 5 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.733 107.7 58.9 -75.5 -24.1 25.7 -4.8 7.1 35 44 A S H < S+ 0 0 52 -4,-1.1 4,-0.4 2,-0.2 -2,-0.2 0.967 105.1 44.5 -69.7 -55.9 22.4 -4.7 5.2 36 45 A V H >< S+ 0 0 36 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.794 114.7 51.7 -60.1 -29.7 23.6 -6.3 1.9 37 46 A I H >< S+ 0 0 1 -4,-0.9 3,-1.9 1,-0.2 -1,-0.2 0.864 101.9 59.0 -74.9 -36.5 25.5 -8.9 3.9 38 47 A A T 3< S+ 0 0 64 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.521 106.9 49.7 -70.0 -5.0 22.3 -9.7 6.0 39 48 A K T < S+ 0 0 146 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.241 86.1 106.4-114.4 7.6 20.7 -10.6 2.6 40 49 A Y < - 0 0 67 -3,-1.9 2,-1.7 2,-0.1 4,-0.1 -0.821 59.7-153.7 -95.2 110.4 23.6 -12.9 1.5 41 50 A P + 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 68.2 66.2 -79.9 55.2 22.6 -16.6 1.7 42 51 A H S S- 0 0 83 -2,-1.7 2,-0.7 2,-0.0 -2,-0.1 -0.954 88.3 -97.9-170.1 150.1 26.2 -17.9 2.2 43 52 A K - 0 0 109 -2,-0.3 2,-0.6 1,-0.1 -40,-0.1 -0.673 38.9-130.0 -79.3 112.6 29.1 -17.8 4.7 44 53 A I - 0 0 7 -2,-0.7 3,-0.1 1,-0.2 -1,-0.1 -0.501 26.0-176.9 -65.5 108.5 31.6 -15.1 3.6 45 54 A K + 0 0 163 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.522 64.9 14.0 -86.0 -7.7 34.9 -17.0 3.7 46 55 A S >> - 0 0 46 1,-0.1 4,-1.1 22,-0.0 3,-0.6 -0.987 69.4-116.8-163.7 156.4 36.9 -13.9 2.8 47 56 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.814 113.2 62.7 -65.8 -30.2 36.8 -10.1 2.5 48 57 A A H 3> S+ 0 0 76 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.820 101.9 51.5 -63.4 -32.4 37.4 -10.4 -1.3 49 58 A E H <4 S+ 0 0 29 -3,-0.6 3,-0.3 1,-0.2 4,-0.3 0.840 111.3 47.5 -72.4 -35.5 34.1 -12.2 -1.6 50 59 A A H >< S+ 0 0 1 -4,-1.1 3,-1.5 1,-0.2 -2,-0.2 0.809 98.1 67.3 -76.5 -32.9 32.3 -9.5 0.4 51 60 A K H 3< S+ 0 0 106 -4,-2.1 5,-0.3 1,-0.3 -1,-0.2 0.771 87.6 70.8 -59.8 -25.1 33.8 -6.6 -1.6 52 61 A K T 3< S+ 0 0 174 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.836 83.3 87.3 -60.1 -33.5 31.8 -7.9 -4.6 53 62 A L S X S- 0 0 35 -3,-1.5 3,-1.7 -4,-0.3 2,-0.3 -0.433 93.9-103.4 -71.7 139.0 28.6 -6.7 -2.9 54 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.460 107.5 30.5 -65.8 122.3 27.5 -3.0 -3.4 55 64 A G T 3 S+ 0 0 35 -2,-0.3 2,-0.5 1,-0.3 -22,-0.2 0.251 96.0 102.3 112.8 -10.5 28.3 -0.9 -0.4 56 65 A V < + 0 0 10 -3,-1.7 -1,-0.3 -5,-0.3 2,-0.1 -0.934 47.1 173.2-110.3 121.5 31.4 -2.9 0.7 57 66 A G > - 0 0 33 -2,-0.5 4,-1.2 -3,-0.1 5,-0.1 -0.204 49.0 -74.7-108.4-159.0 34.8 -1.4 -0.2 58 67 A T H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 123.6 54.7 -67.8 -45.7 38.5 -2.2 0.5 59 68 A K H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 112.2 42.2 -54.9 -51.4 38.5 -1.0 4.1 60 69 A I H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.779 111.2 57.9 -68.5 -26.7 35.6 -3.2 5.2 61 70 A A H X S+ 0 0 9 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.917 106.9 47.3 -68.9 -42.8 37.1 -6.1 3.2 62 71 A E H X S+ 0 0 109 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.869 107.8 56.6 -65.0 -39.4 40.3 -5.9 5.2 63 72 A K H X S+ 0 0 25 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.888 104.7 51.7 -60.3 -40.9 38.4 -5.8 8.4 64 73 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 5,-0.3 0.866 103.5 59.4 -65.3 -34.6 36.7 -9.1 7.6 65 74 A D H X S+ 0 0 78 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.891 110.3 41.3 -60.1 -42.5 40.1 -10.6 6.9 66 75 A E H X>S+ 0 0 66 -4,-1.5 4,-2.7 2,-0.2 5,-1.0 0.889 111.4 56.0 -72.7 -41.0 41.2 -9.9 10.5 67 76 A F H <5S+ 0 0 49 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.844 115.5 38.2 -60.3 -36.3 37.8 -10.9 12.0 68 77 A L H <5S+ 0 0 77 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.837 121.6 43.3 -84.2 -35.5 38.1 -14.3 10.4 69 78 A A H <5S+ 0 0 87 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.939 128.0 24.0 -76.4 -51.6 41.8 -14.8 10.9 70 79 A T T <5S- 0 0 93 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.1 0.813 104.8-115.2 -85.5 -34.4 42.3 -13.6 14.5 71 80 A G S - 0 0 5 -2,-0.3 4,-1.5 1,-0.1 -10,-0.0 -0.923 24.8-154.8-108.5 124.4 38.7 -6.9 15.3 74 83 A R H > S+ 0 0 198 -2,-0.5 4,-1.1 1,-0.2 -1,-0.1 0.881 95.6 46.0 -62.6 -43.3 41.8 -5.3 16.9 75 84 A K H > S+ 0 0 134 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.802 110.2 55.2 -71.8 -28.7 40.6 -1.7 16.5 76 85 A L H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.835 102.8 55.8 -73.3 -33.1 37.1 -2.6 17.8 77 86 A E H X S+ 0 0 61 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.845 103.4 54.0 -67.6 -35.9 38.5 -4.1 21.0 78 87 A K H X S+ 0 0 124 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.851 107.1 52.5 -66.5 -34.3 40.4 -0.8 21.9 79 88 A I H < S+ 0 0 29 -4,-1.0 7,-0.4 2,-0.2 -2,-0.2 0.901 107.4 51.5 -67.6 -42.4 37.1 1.1 21.5 80 89 A R H < S+ 0 0 116 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.881 112.2 44.9 -62.9 -41.9 35.3 -1.3 23.9 81 90 A Q H < S+ 0 0 136 -4,-1.7 2,-0.8 4,-0.0 -1,-0.2 0.772 88.2 100.9 -74.6 -26.6 37.9 -0.9 26.6 82 91 A D X - 0 0 68 -4,-1.4 4,-2.6 1,-0.2 5,-0.3 -0.477 60.1-161.5 -65.6 104.2 38.1 2.9 26.2 83 92 A D H > S+ 0 0 87 -2,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.841 85.7 53.6 -54.7 -40.4 36.0 4.1 29.1 84 93 A T H > S+ 0 0 67 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.921 114.7 37.6 -64.6 -47.2 35.5 7.6 27.5 85 94 A S H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.897 114.6 53.1 -73.5 -42.4 34.1 6.4 24.2 86 95 A S H X S+ 0 0 52 -4,-2.6 4,-0.8 -7,-0.4 -1,-0.2 0.796 110.1 49.9 -64.2 -28.6 32.1 3.5 25.5 87 96 A S H X S+ 0 0 10 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.841 106.7 53.5 -78.3 -36.2 30.3 5.8 27.9 88 97 A I H X S+ 0 0 1 -4,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.917 107.4 51.8 -63.8 -43.7 29.5 8.4 25.2 89 98 A N H < S+ 0 0 49 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.819 110.1 51.2 -62.8 -32.0 27.8 5.7 23.1 90 99 A F H >< S+ 0 0 47 -4,-0.8 3,-2.2 1,-0.2 4,-0.4 0.964 104.4 53.3 -70.1 -54.2 25.7 4.7 26.2 91 100 A L H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.3 6,-0.3 0.798 100.8 62.5 -51.4 -34.0 24.4 8.1 27.1 92 101 A T T 3< S+ 0 0 21 -4,-1.4 -1,-0.3 1,-0.3 4,-0.2 0.717 86.1 74.3 -66.7 -21.3 23.1 8.6 23.5 93 102 A R T < S+ 0 0 125 -3,-2.2 2,-0.4 -4,-0.4 -1,-0.3 0.786 78.3 90.4 -61.6 -26.9 20.8 5.6 24.1 94 103 A V S X S- 0 0 1 -3,-1.3 3,-1.7 -4,-0.4 2,-0.6 -0.587 93.4-114.6 -74.0 123.8 18.7 8.0 26.2 95 104 A S T 3 S+ 0 0 39 -2,-0.4 35,-0.4 1,-0.2 36,-0.2 -0.478 105.0 31.0 -62.9 109.4 16.1 9.7 24.1 96 105 A G T 3 S+ 0 0 36 -2,-0.6 2,-0.6 1,-0.3 -1,-0.2 -0.152 96.4 92.6 133.8 -39.8 17.1 13.3 24.2 97 106 A I < - 0 0 6 -3,-1.7 -1,-0.3 -6,-0.3 26,-0.0 -0.787 56.1-178.1 -88.2 121.1 20.9 13.0 24.6 98 107 A G > - 0 0 28 -2,-0.6 4,-2.0 -3,-0.1 5,-0.2 -0.236 48.2 -76.6-102.7-163.7 22.6 13.0 21.2 99 108 A P H > S+ 0 0 45 0, 0.0 4,-0.7 0, 0.0 -7,-0.1 0.753 131.0 47.6 -68.1 -24.7 26.3 12.7 20.1 100 109 A S H > S+ 0 0 74 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.910 112.4 45.0 -81.5 -48.9 27.0 16.2 21.3 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 108.8 58.1 -62.7 -42.8 25.3 16.1 24.7 102 111 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.860 109.0 45.1 -56.2 -39.6 26.9 12.7 25.5 103 112 A R H X S+ 0 0 82 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.914 111.3 51.6 -71.8 -43.9 30.3 14.2 25.0 104 113 A K H X S+ 0 0 132 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.847 112.1 48.7 -61.5 -34.5 29.6 17.3 27.0 105 114 A F H ><>S+ 0 0 13 -4,-2.4 5,-2.2 2,-0.2 3,-0.7 0.927 109.0 50.6 -71.0 -46.8 28.3 15.1 29.8 106 115 A V H ><5S+ 0 0 15 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.823 104.0 59.3 -61.9 -32.8 31.3 12.8 29.8 107 116 A D H 3<5S+ 0 0 121 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.0 49.1 -65.5 -30.9 33.7 15.8 30.0 108 117 A E T <<5S- 0 0 104 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.429 126.6-100.7 -87.8 -1.5 32.0 16.8 33.3 109 118 A G T < 5S+ 0 0 43 -3,-1.1 2,-0.7 1,-0.3 -3,-0.2 0.418 80.7 133.8 97.3 -2.7 32.3 13.3 34.7 110 119 A I < + 0 0 5 -5,-2.2 -1,-0.3 1,-0.2 -2,-0.2 -0.757 13.9 142.3 -84.1 114.0 28.7 12.2 34.0 111 120 A K + 0 0 68 -2,-0.7 2,-0.2 -3,-0.1 -20,-0.2 0.575 51.3 44.2-128.4 -17.7 28.9 8.8 32.4 112 121 A T S > S- 0 0 61 1,-0.1 4,-1.3 -22,-0.1 5,-0.1 -0.687 80.6-105.4-125.9 178.2 26.0 6.6 33.7 113 122 A L H > S+ 0 0 29 2,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.854 121.9 55.4 -68.7 -36.7 22.2 6.7 34.5 114 123 A E H > S+ 0 0 101 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.907 108.9 46.6 -62.1 -42.4 23.1 6.9 38.2 115 124 A D H > S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.767 109.6 55.6 -71.0 -27.3 25.2 10.0 37.5 116 125 A L H < S+ 0 0 0 -4,-1.3 6,-0.2 2,-0.2 -2,-0.2 0.896 101.7 55.9 -71.3 -41.5 22.4 11.5 35.4 117 126 A R H >< S+ 0 0 142 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.830 107.4 50.3 -60.1 -34.5 19.9 11.2 38.2 118 127 A K H 3< S+ 0 0 130 -4,-1.1 3,-0.3 1,-0.2 -1,-0.2 0.936 116.8 39.3 -68.9 -48.8 22.2 13.2 40.5 119 128 A N T >< S+ 0 0 55 -4,-1.5 3,-1.6 1,-0.2 -1,-0.2 -0.214 72.9 133.6 -96.4 42.2 22.6 16.0 37.9 120 129 A E G X + 0 0 93 -3,-0.8 3,-1.2 1,-0.3 -1,-0.2 0.683 61.1 73.1 -65.6 -17.1 19.0 16.0 36.7 121 130 A D G 3 S+ 0 0 129 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.391 92.4 57.4 -77.8 5.4 19.0 19.8 36.9 122 131 A K G < S+ 0 0 99 -3,-1.6 2,-0.4 -6,-0.2 -1,-0.2 0.395 91.8 84.3-111.8 -4.7 21.3 19.8 33.8 123 132 A L S < S- 0 0 3 -3,-1.2 -26,-0.0 -4,-0.2 2,-0.0 -0.807 72.5-134.3-101.8 142.1 18.8 17.9 31.6 124 133 A N > - 0 0 86 -2,-0.4 4,-1.8 -28,-0.1 5,-0.2 -0.154 39.6 -82.0 -83.2-176.1 16.0 19.6 29.7 125 134 A H H > S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.871 129.2 45.8 -55.2 -42.9 12.4 18.5 29.5 126 135 A H H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.961 111.2 50.5 -66.6 -52.6 13.1 15.9 26.7 127 136 A Q H > S+ 0 0 20 1,-0.2 4,-1.7 -31,-0.2 -1,-0.2 0.763 109.2 53.0 -58.0 -29.6 16.2 14.4 28.3 128 137 A R H X S+ 0 0 97 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.932 108.6 48.0 -72.0 -47.0 14.3 13.9 31.6 129 138 A I H X S+ 0 0 6 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.866 110.5 53.7 -60.7 -37.9 11.4 12.1 30.0 130 139 A G H < S+ 0 0 1 -4,-2.1 3,-0.2 -35,-0.4 -35,-0.2 0.940 109.0 46.6 -62.5 -48.4 13.9 9.9 28.2 131 140 A L H >< S+ 0 0 12 -4,-1.7 3,-1.4 1,-0.2 4,-0.2 0.879 108.1 58.8 -60.7 -38.5 15.7 8.9 31.4 132 141 A K H 3< S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.884 117.6 30.2 -58.9 -41.8 12.3 8.2 33.0 133 142 A Y T 3X S+ 0 0 8 -4,-1.7 4,-1.7 -3,-0.2 -1,-0.3 -0.239 77.9 136.3-114.0 44.0 11.4 5.6 30.3 134 143 A F H <> S+ 0 0 33 -3,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.921 82.5 30.8 -54.9 -49.8 14.9 4.4 29.5 135 144 A G H >> S+ 0 0 26 -4,-0.2 3,-0.6 -3,-0.2 4,-0.6 0.905 114.2 59.0 -77.8 -43.5 13.9 0.7 29.5 136 145 A D H 34 S+ 0 0 42 1,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.758 106.4 51.5 -57.4 -27.6 10.3 1.2 28.3 137 146 A F H 3< S+ 0 0 46 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.801 104.2 55.1 -80.3 -31.6 11.6 2.8 25.1 138 147 A E H << S+ 0 0 100 -4,-0.7 2,-0.2 -3,-0.6 -1,-0.2 0.478 92.7 94.9 -80.6 -2.5 14.1 -0.0 24.3 139 148 A K S < S- 0 0 109 -4,-0.6 2,-0.2 -3,-0.3 -3,-0.0 -0.606 76.7-118.5 -90.6 151.0 11.3 -2.6 24.4 140 149 A R - 0 0 152 -2,-0.2 -1,-0.1 39,-0.1 -2,-0.1 -0.505 19.1-128.3 -84.8 156.0 9.4 -3.7 21.3 141 150 A I - 0 0 3 -2,-0.2 39,-0.2 40,-0.0 38,-0.2 -0.917 21.5-137.3-111.2 110.3 5.6 -3.2 20.8 142 151 A P > - 0 0 59 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.239 21.0-115.8 -61.4 151.5 3.6 -6.4 19.9 143 152 A R H > S+ 0 0 63 34,-2.2 4,-2.2 1,-0.2 5,-0.2 0.854 114.8 59.0 -58.0 -38.2 1.0 -6.2 17.2 144 153 A E H > S+ 0 0 106 33,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 106.9 47.6 -58.7 -40.6 -1.8 -7.0 19.7 145 154 A E H > S+ 0 0 25 -3,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.930 110.0 52.9 -65.0 -44.9 -0.8 -3.9 21.7 146 155 A M H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.822 108.4 51.1 -59.0 -35.3 -0.8 -1.9 18.5 147 156 A L H X S+ 0 0 54 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.927 111.6 45.6 -68.8 -46.9 -4.3 -3.1 17.7 148 157 A Q H X S+ 0 0 60 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.905 114.9 48.8 -62.5 -42.0 -5.6 -2.1 21.2 149 158 A M H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.878 108.6 54.3 -65.1 -39.2 -3.8 1.3 20.9 150 159 A Q H X S+ 0 0 47 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.919 104.1 53.9 -61.8 -46.6 -5.2 1.8 17.4 151 160 A D H X S+ 0 0 101 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.908 108.1 50.8 -55.1 -45.5 -8.8 1.3 18.6 152 161 A I H X S+ 0 0 37 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.947 113.0 44.0 -58.8 -51.9 -8.3 4.0 21.3 153 162 A V H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.905 117.1 46.3 -61.1 -43.7 -6.9 6.6 18.9 154 163 A L H X S+ 0 0 61 -4,-2.9 4,-1.6 2,-0.2 5,-0.2 0.887 113.7 48.5 -66.3 -40.8 -9.6 5.8 16.3 155 164 A N H X S+ 0 0 93 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.927 117.6 41.2 -65.7 -44.1 -12.4 5.9 18.9 156 165 A E H X S+ 0 0 14 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.812 112.8 52.7 -74.1 -33.6 -11.2 9.2 20.3 157 166 A V H X S+ 0 0 3 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.831 118.3 37.4 -71.8 -31.9 -10.4 10.8 17.0 158 167 A K H < S+ 0 0 138 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.782 110.0 61.5 -87.0 -31.6 -13.9 10.0 15.7 159 168 A K H < S+ 0 0 145 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.752 110.2 42.2 -65.6 -25.0 -15.5 10.7 19.0 160 169 A V H < S- 0 0 42 -4,-1.0 -1,-0.2 1,-0.3 2,-0.2 0.661 136.8 -2.3 -94.7 -21.4 -14.3 14.3 18.8 161 170 A D >< - 0 0 45 -4,-0.5 3,-1.1 -5,-0.1 -1,-0.3 -0.774 50.8-150.7-173.1 125.3 -15.1 14.7 15.1 162 171 A S T 3 S+ 0 0 100 1,-0.2 -4,-0.1 -2,-0.2 -3,-0.1 0.695 97.7 64.6 -71.7 -21.0 -16.6 12.3 12.5 163 172 A E T 3 S+ 0 0 111 -5,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.218 78.7 110.5 -88.0 14.1 -14.7 14.2 9.7 164 173 A Y < - 0 0 14 -3,-1.1 2,-0.6 -7,-0.2 24,-0.2 -0.789 51.3-162.7 -93.2 129.0 -11.4 13.1 11.1 165 174 A I E +A 187 0A 47 22,-1.8 22,-1.7 -2,-0.5 2,-0.4 -0.958 14.6 172.4-114.1 116.6 -9.3 10.6 9.1 166 175 A A E +A 186 0A 10 -2,-0.6 2,-0.4 20,-0.2 20,-0.2 -0.981 5.3 177.4-130.0 122.5 -6.6 8.9 11.1 167 176 A T E -A 185 0A 41 18,-2.4 18,-1.3 -2,-0.4 2,-0.7 -0.982 26.6-134.3-129.0 124.5 -4.4 6.0 9.9 168 177 A V E -A 184 0A 6 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.651 34.9-176.1 -76.9 112.1 -1.6 4.3 11.7 169 178 A C > + 0 0 4 14,-1.5 3,-0.6 -2,-0.7 14,-0.3 0.075 33.3 63.9 -91.3-158.6 1.3 3.9 9.2 170 179 A G G >> S- 0 0 18 93,-1.4 4,-1.0 1,-0.2 3,-0.9 -0.368 110.8 -21.3 80.4-156.9 4.7 2.3 9.4 171 180 A S G 34>S+ 0 0 34 1,-0.2 5,-2.0 2,-0.2 -1,-0.2 0.801 130.3 68.3 -58.5 -31.2 5.5 -1.4 9.9 172 181 A F G X45S+ 0 0 12 -3,-0.6 3,-1.4 1,-0.2 -1,-0.2 0.885 96.5 52.6 -55.5 -43.7 2.1 -1.8 11.4 173 182 A R T <45S+ 0 0 64 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.890 104.4 55.8 -60.2 -41.9 0.5 -1.2 8.0 174 183 A R T 3<5S- 0 0 87 -4,-1.0 -1,-0.3 90,-0.3 -2,-0.2 0.429 123.4-106.3 -72.4 1.0 2.7 -3.9 6.5 175 184 A G T < 5 + 0 0 33 -3,-1.4 -3,-0.2 -4,-0.2 2,-0.2 0.791 56.6 172.9 78.9 30.2 1.3 -6.4 9.1 176 185 A A < - 0 0 34 -5,-2.0 -1,-0.2 1,-0.1 146,-0.0 -0.501 37.2-137.5 -74.0 137.3 4.5 -6.5 11.3 177 186 A E S S+ 0 0 140 -2,-0.2 -34,-2.2 -35,-0.1 -33,-0.2 0.554 90.4 35.7 -69.5 -7.5 4.1 -8.5 14.5 178 187 A S + 0 0 42 -36,-0.3 -2,-0.1 -35,-0.1 -3,-0.0 -0.720 53.5 169.9-133.2-177.9 6.1 -5.6 16.1 179 188 A S - 0 0 13 -2,-0.2 -8,-0.1 -38,-0.2 -1,-0.1 0.228 17.6-159.8-158.5 -64.0 6.5 -1.9 15.8 180 189 A G S S+ 0 0 27 -39,-0.2 2,-0.3 -38,-0.1 65,-0.2 0.475 78.2 50.4 78.8 2.8 8.4 0.0 18.5 181 190 A D S S- 0 0 60 -40,-0.1 2,-0.9 63,-0.1 65,-0.2 -0.881 70.8-140.0-170.5 135.2 6.8 3.3 17.6 182 191 A M E - b 0 246A 0 63,-1.3 65,-2.4 -2,-0.3 2,-0.8 -0.735 24.9-177.0-104.9 84.7 3.2 4.5 17.1 183 192 A D E - b 0 247A 24 -2,-0.9 -14,-1.5 -14,-0.3 2,-0.4 -0.737 6.2-174.4 -86.8 111.8 3.2 6.8 14.0 184 193 A V E -Ab 168 248A 0 63,-3.6 65,-2.0 -2,-0.8 2,-0.4 -0.873 9.4-165.1-110.4 138.6 -0.2 8.3 13.4 185 194 A L E +Ab 167 249A 0 -18,-1.3 -18,-2.4 -2,-0.4 2,-0.3 -0.981 14.4 173.4-122.9 132.1 -1.3 10.5 10.5 186 195 A L E +Ab 166 250A 0 63,-2.2 65,-2.2 -2,-0.4 2,-0.3 -0.971 8.1 176.2-141.3 155.6 -4.5 12.5 10.4 187 196 A T E -A 165 0A 0 -22,-1.7 -22,-1.8 -2,-0.3 5,-0.1 -0.912 11.9-153.3-147.0 173.7 -6.4 15.1 8.4 188 197 A H > - 0 0 13 3,-0.3 3,-2.3 63,-0.3 65,-0.3 -0.985 30.8-118.6-154.5 141.8 -9.6 17.1 8.1 189 198 A P T 3 S+ 0 0 57 0, 0.0 -25,-0.1 0, 0.0 64,-0.0 0.707 111.8 67.0 -53.2 -23.2 -11.6 18.7 5.2 190 199 A S T 3 S+ 0 0 52 1,-0.2 2,-0.4 62,-0.0 11,-0.1 0.380 93.9 67.2 -80.7 4.5 -11.1 22.1 6.8 191 200 A F < + 0 0 20 -3,-2.3 62,-1.8 60,-0.1 -3,-0.3 -0.878 55.9 142.9-131.1 98.6 -7.3 21.8 6.1 192 201 A T > - 0 0 44 -2,-0.4 3,-1.4 60,-0.2 2,-0.8 -0.768 66.7 -92.3-141.1 91.8 -6.4 21.8 2.4 193 202 A S T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 -0.133 123.4 50.7 43.2 -85.0 -3.1 23.6 1.5 194 203 A E T 3 S+ 0 0 172 -2,-0.8 -1,-0.3 -3,-0.1 -3,-0.0 0.763 90.9 101.8 -48.8 -31.4 -4.5 27.1 0.8 195 204 A S S < S- 0 0 35 -3,-1.4 3,-0.1 1,-0.1 -4,-0.0 -0.313 85.0-102.5 -60.0 137.4 -6.3 27.0 4.1 196 205 A T - 0 0 117 1,-0.2 -1,-0.1 -4,-0.0 -4,-0.1 -0.107 53.1 -70.3 -59.2 156.9 -4.5 29.0 6.9 197 206 A K - 0 0 152 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 -0.179 46.9-143.0 -50.1 136.6 -2.4 27.2 9.6 198 207 A Q > + 0 0 57 25,-0.2 4,-0.8 1,-0.1 5,-0.2 -0.809 33.9 160.5-113.6 92.9 -4.6 25.2 12.0 199 208 A P T 4 S+ 0 0 66 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.497 79.2 58.8 -83.6 -4.9 -3.3 25.2 15.6 200 209 A K T > S+ 0 0 153 3,-0.1 4,-2.3 2,-0.1 5,-0.1 0.835 96.3 57.6 -91.2 -40.1 -6.8 24.1 16.7 201 210 A L H > S+ 0 0 9 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.945 112.5 36.4 -58.2 -56.9 -7.1 20.8 14.8 202 211 A L H X S+ 0 0 0 -4,-0.8 4,-2.2 21,-0.4 -1,-0.2 0.909 117.7 52.7 -64.9 -42.3 -4.1 19.0 16.2 203 212 A H H > S+ 0 0 78 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.873 104.2 58.2 -60.3 -39.6 -4.5 20.5 19.7 204 213 A Q H X S+ 0 0 43 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.915 109.6 42.2 -56.9 -49.1 -8.2 19.3 19.7 205 214 A V H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.901 112.0 54.0 -67.3 -44.0 -7.2 15.7 19.2 206 215 A V H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.901 106.5 52.4 -58.5 -43.2 -4.3 15.7 21.7 207 216 A E H X S+ 0 0 91 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.881 107.5 52.7 -60.9 -39.0 -6.5 17.1 24.4 208 217 A Q H X S+ 0 0 25 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.871 108.9 48.1 -65.5 -40.2 -9.0 14.2 23.9 209 218 A L H <>S+ 0 0 0 -4,-1.8 5,-2.5 1,-0.2 6,-0.9 0.817 113.0 48.0 -70.9 -31.1 -6.3 11.5 24.2 210 219 A Q H ><5S+ 0 0 83 -4,-1.7 3,-0.6 3,-0.2 -1,-0.2 0.723 104.8 62.8 -77.9 -23.0 -4.9 13.2 27.4 211 220 A K H 3<5S+ 0 0 131 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.814 106.4 42.2 -70.4 -33.8 -8.5 13.3 28.6 212 221 A V T 3<5S- 0 0 62 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.281 117.9-111.8 -96.6 8.1 -8.8 9.5 28.6 213 222 A H T < 5S+ 0 0 156 -3,-0.6 -3,-0.2 2,-0.1 -2,-0.1 0.799 83.8 119.5 66.2 34.1 -5.4 9.1 30.1 214 223 A F < + 0 0 4 -5,-2.5 17,-1.9 1,-0.1 2,-0.5 0.909 64.2 58.5 -88.6 -55.7 -3.8 7.5 27.0 215 224 A I E +C 230 0A 8 -6,-0.9 15,-0.3 15,-0.2 -1,-0.1 -0.656 62.0 173.7 -79.0 123.4 -1.1 10.2 26.4 216 225 A T E + 0 0 57 13,-1.9 2,-0.2 -2,-0.5 -1,-0.2 0.905 57.7 11.7 -95.0 -60.6 1.2 10.5 29.4 217 226 A D E - 0 0 29 12,-0.4 12,-2.0 -88,-0.0 2,-0.4 -0.704 61.3-138.0-118.1 171.6 4.1 12.8 28.6 218 227 A T E -C 228 0A 35 10,-0.3 10,-0.3 -2,-0.2 3,-0.1 -0.988 14.3-179.9-135.3 122.4 4.9 15.3 25.8 219 228 A L E S- 0 0 16 8,-2.1 2,-0.3 -2,-0.4 9,-0.2 0.875 76.2 -16.8 -84.1 -44.6 8.4 15.6 24.2 220 229 A S E -C 227 0A 52 7,-1.9 7,-2.4 -94,-0.1 -1,-0.4 -0.972 61.5-171.1-160.9 149.8 7.4 18.4 21.7 221 230 A K E +C 226 0A 93 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.989 12.7 152.5-151.6 139.5 4.3 19.9 20.3 222 231 A G - 0 0 33 3,-2.1 -2,-0.0 -2,-0.3 -19,-0.0 -0.637 58.5 -75.8-142.6-160.4 3.4 22.4 17.5 223 232 A E S S+ 0 0 86 -2,-0.2 -21,-0.4 1,-0.1 -25,-0.2 0.694 125.4 19.4 -81.6 -19.8 0.6 23.4 15.1 224 233 A T S S+ 0 0 82 1,-0.2 26,-3.1 -22,-0.1 2,-0.3 0.729 120.8 42.0-119.3 -38.2 1.4 20.5 12.7 225 234 A K E - D 0 249A 96 24,-0.2 -3,-2.1 2,-0.0 2,-0.3 -0.805 54.9-165.2-117.6 158.3 3.4 17.7 14.5 226 235 A F E -CD 221 248A 0 22,-2.0 22,-1.4 -2,-0.3 2,-0.4 -0.999 3.9-176.2-142.3 138.6 3.2 16.0 17.9 227 236 A M E +CD 220 247A 45 -7,-2.4 -8,-2.1 -2,-0.3 -7,-1.9 -0.986 28.9 113.4-138.0 124.3 5.7 13.8 19.7 228 237 A G E -CD 218 246A 0 18,-2.3 18,-2.3 -2,-0.4 2,-0.3 -0.906 54.4 -76.4-165.2-166.9 5.1 12.2 23.1 229 238 A V E - D 0 245A 0 -12,-2.0 -13,-1.9 -2,-0.3 -12,-0.4 -0.859 35.9-178.1-114.3 146.8 4.6 9.1 25.3 230 239 A C E -CD 215 244A 0 14,-3.5 14,-3.3 -2,-0.3 2,-0.3 -0.901 5.5-168.4-137.8 167.1 1.5 6.9 25.6 231 240 A Q - 0 0 33 -17,-1.9 12,-0.1 -2,-0.3 3,-0.1 -0.972 22.9-115.9-160.3 142.8 0.3 3.9 27.6 232 241 A L - 0 0 7 10,-0.4 9,-0.2 -2,-0.3 3,-0.1 -0.341 51.2 -79.4 -75.9 159.3 -2.6 1.4 27.6 233 242 A P - 0 0 89 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 -0.346 57.1 -93.9 -63.0 137.0 -5.1 1.2 30.6 234 243 A S - 0 0 83 6,-0.1 2,-0.2 -3,-0.1 6,-0.1 -0.241 41.3-133.9 -53.9 129.4 -3.9 -0.7 33.6 235 244 A K - 0 0 103 4,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.582 22.6-102.6 -87.9 149.6 -4.9 -4.4 33.6 236 245 A N S S- 0 0 134 -2,-0.2 2,-3.1 1,-0.2 -1,-0.1 -0.476 95.3 -9.9 -72.6 141.7 -6.4 -6.2 36.6 237 246 A D S S+ 0 0 179 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 -0.281 120.5 84.8 68.3 -57.0 -4.1 -8.5 38.6 238 247 A E S S- 0 0 131 -2,-3.1 2,-0.1 1,-0.1 -3,-0.1 -0.233 92.6 -91.2 -71.0 162.2 -1.3 -8.2 36.0 239 248 A K - 0 0 182 1,-0.1 -4,-0.1 -5,-0.1 -1,-0.1 -0.429 49.7 -92.4 -75.6 149.9 1.2 -5.4 35.8 240 249 A E - 0 0 94 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.1 -0.266 46.8 -97.2 -62.8 146.0 0.5 -2.3 33.8 241 250 A Y - 0 0 49 -9,-0.2 -1,-0.1 -8,-0.2 3,-0.1 -0.330 46.0 -99.4 -64.8 143.2 1.7 -2.1 30.2 242 251 A P - 0 0 35 0, 0.0 -10,-0.4 0, 0.0 2,-0.3 -0.147 43.7 -91.8 -60.6 156.2 5.0 -0.2 29.5 243 252 A H - 0 0 25 -12,-0.1 2,-0.3 -14,-0.0 -12,-0.2 -0.585 47.9-158.6 -74.1 128.6 5.1 3.4 28.3 244 253 A R E - D 0 230A 22 -14,-3.3 -14,-3.5 -2,-0.3 2,-0.2 -0.777 15.7-112.4-111.2 154.7 5.2 3.5 24.5 245 254 A R E - D 0 229A 31 -2,-0.3 -63,-1.3 -16,-0.2 2,-0.3 -0.553 33.9-178.1 -82.7 147.8 6.2 6.2 22.0 246 255 A I E -bD 182 228A 0 -18,-2.3 -18,-2.3 -2,-0.2 2,-0.4 -0.979 11.9-168.4-151.2 132.8 3.7 7.9 19.8 247 256 A D E -bD 183 227A 19 -65,-2.4 -63,-3.6 -2,-0.3 2,-0.4 -0.988 4.8-166.0-125.9 126.0 3.9 10.5 17.1 248 257 A I E -bD 184 226A 1 -22,-1.4 -22,-2.0 -2,-0.4 2,-0.4 -0.938 6.5-170.1-112.0 133.0 0.9 12.3 15.6 249 258 A R E -bD 185 225A 54 -65,-2.0 -63,-2.2 -2,-0.4 2,-0.4 -0.975 13.8-146.6-131.1 121.9 1.2 14.3 12.4 250 259 A L E +b 186 0A 10 -26,-3.1 -63,-0.2 -2,-0.4 -65,-0.0 -0.700 25.8 175.9 -83.9 130.7 -1.4 16.7 10.9 251 260 A I - 0 0 13 -65,-2.2 -63,-0.3 -2,-0.4 5,-0.1 -0.996 31.1-107.5-139.1 141.6 -1.4 16.7 7.0 252 261 A P >> - 0 0 14 0, 0.0 4,-0.8 0, 0.0 3,-0.6 -0.214 31.7-113.6 -62.8 158.7 -3.6 18.4 4.4 253 262 A K T 34 S+ 0 0 49 -62,-1.8 4,-0.5 -65,-0.3 -61,-0.1 0.712 117.5 57.7 -66.2 -20.2 -6.0 16.4 2.4 254 263 A D T 34 S+ 0 0 60 -63,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.801 119.9 27.2 -78.7 -31.6 -4.0 17.1 -0.7 255 264 A Q T <> S+ 0 0 46 -3,-0.6 4,-1.3 3,-0.1 -2,-0.2 0.264 101.7 90.9-113.0 7.2 -0.8 15.6 0.8 256 265 A Y H >X S+ 0 0 1 -4,-0.8 4,-1.9 2,-0.2 3,-0.5 1.000 93.0 32.3 -66.8 -71.8 -2.5 13.1 3.1 257 266 A Y H 3> S+ 0 0 63 -4,-0.5 4,-1.9 1,-0.3 -1,-0.2 0.827 121.6 52.4 -56.8 -33.0 -2.8 9.9 1.0 258 267 A C H 3> S+ 0 0 2 29,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.837 113.7 43.6 -71.4 -33.0 0.4 10.9 -0.8 259 268 A G H < S+ 0 0 68 -4,-0.7 3,-0.8 24,-0.2 -1,-0.2 0.944 113.7 39.1 -69.7 -50.1 5.4 7.3 2.1 263 272 A F H 3< S+ 0 0 46 -4,-1.6 -93,-1.4 1,-0.2 -2,-0.2 0.539 105.0 70.6 -77.8 -7.0 5.2 6.7 5.9 264 273 A T H 3< S+ 0 0 0 -4,-1.2 -90,-0.3 -95,-0.2 -1,-0.2 0.753 97.0 160.5 -78.7 -25.2 3.6 3.3 5.2 265 274 A G << - 0 0 6 -3,-0.8 -1,-0.2 -4,-0.6 2,-0.1 -0.256 67.2-163.5 86.7-177.8 6.9 2.0 3.9 266 275 A S > - 0 0 2 59,-0.2 4,-1.8 -3,-0.1 -1,-0.2 0.607 28.4-142.6 -93.2-177.5 9.0 0.3 3.1 267 276 A D H > S+ 0 0 119 1,-0.2 4,-0.8 2,-0.2 59,-0.1 0.837 109.0 42.1 -65.4 -34.5 12.3 2.0 2.7 268 277 A I H > S+ 0 0 61 57,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.833 109.5 59.1 -79.5 -35.3 13.1 -0.1 -0.3 269 278 A F H > S+ 0 0 4 55,-0.4 4,-2.0 56,-0.3 -2,-0.2 0.852 102.0 53.6 -61.7 -38.0 9.6 0.3 -1.7 270 279 A N H X S+ 0 0 25 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.876 108.9 49.9 -65.0 -38.0 10.0 4.1 -1.8 271 280 A K H X S+ 0 0 145 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.937 112.3 45.1 -65.6 -49.8 13.2 3.7 -3.8 272 281 A N H X S+ 0 0 74 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.839 117.0 45.8 -64.4 -34.9 11.7 1.3 -6.4 273 282 A M H X S+ 0 0 3 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.748 110.5 53.2 -80.7 -25.2 8.6 3.5 -6.7 274 283 A R H X S+ 0 0 85 -4,-1.6 4,-1.2 2,-0.2 10,-0.2 0.874 112.6 44.1 -75.6 -39.1 10.6 6.7 -6.9 275 284 A A H X S+ 0 0 57 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.906 114.1 48.9 -71.0 -44.0 12.7 5.4 -9.8 276 285 A H H X S+ 0 0 31 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.817 106.2 58.1 -65.8 -32.8 9.7 3.9 -11.6 277 286 A A H X>S+ 0 0 0 -4,-1.3 5,-3.1 1,-0.2 4,-1.8 0.898 106.3 48.6 -63.9 -41.0 7.8 7.2 -11.3 278 287 A L H <5S+ 0 0 84 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.786 101.7 64.4 -69.2 -29.6 10.6 9.0 -13.1 279 288 A E H <5S+ 0 0 144 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.5 37.6 -62.6 -34.8 10.5 6.4 -15.9 280 289 A K H <5S- 0 0 90 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.807 128.7 -91.5 -86.4 -34.1 7.0 7.4 -16.8 281 290 A G T <5S+ 0 0 20 -4,-1.8 11,-0.9 1,-0.4 2,-0.3 0.512 87.0 109.5 131.3 16.3 7.5 11.2 -16.2 282 291 A F E < -E 291 0B 31 -5,-3.1 2,-0.4 9,-0.2 -1,-0.4 -0.789 47.4-151.7-118.0 161.4 6.5 11.8 -12.6 283 292 A T E -E 290 0B 27 7,-1.6 7,-1.9 -2,-0.3 2,-0.3 -0.973 9.0-145.0-139.5 121.9 8.4 12.7 -9.4 284 293 A I E +E 289 0B 16 -2,-0.4 5,-0.2 -10,-0.2 -6,-0.0 -0.634 21.1 169.7 -85.5 140.4 7.5 11.9 -5.8 285 294 A N - 0 0 41 3,-1.3 2,-2.7 -2,-0.3 3,-0.2 -0.075 55.5-107.0-140.7 35.2 8.3 14.3 -3.0 286 295 A E S S+ 0 0 46 1,-0.2 -24,-0.2 -28,-0.1 -23,-0.1 -0.158 114.8 51.0 68.9 -45.7 6.4 12.8 -0.0 287 296 A Y S S- 0 0 113 -2,-2.7 -29,-0.2 1,-0.2 2,-0.2 0.948 118.3 -2.0 -85.5 -58.9 3.8 15.6 -0.2 288 297 A T - 0 0 28 -3,-0.2 -3,-1.3 -30,-0.1 2,-0.5 -0.742 63.0-113.9-130.6 177.1 2.6 15.7 -3.9 289 298 A I E -E 284 0B 2 13,-0.5 13,-1.8 -2,-0.2 -5,-0.2 -0.972 31.1-165.1-117.6 120.0 3.2 14.1 -7.3 290 299 A R E -E 283 0B 90 -7,-1.9 -7,-1.6 -2,-0.5 2,-1.0 -0.908 17.5-137.9-114.0 133.0 4.6 16.4 -10.0 291 300 A P E -E 282 0B 39 0, 0.0 8,-0.8 0, 0.0 -9,-0.2 -0.751 28.8-150.1 -87.7 99.5 4.7 15.8 -13.8 292 301 A L B -F 298 0C 56 -2,-1.0 6,-0.3 -11,-0.9 2,-0.1 -0.180 8.0-125.5 -67.9 160.3 8.2 16.9 -15.0 293 302 A G > - 0 0 34 4,-0.5 3,-0.9 1,-0.0 -1,-0.1 -0.197 37.9 -80.9 -94.7-170.0 9.0 18.3 -18.4 294 303 A V T 3 S+ 0 0 153 1,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.766 133.0 41.1 -64.2 -27.5 11.4 17.4 -21.2 295 304 A T T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.425 127.3 -96.5 -99.6 -1.6 14.2 19.2 -19.4 296 305 A G S < S+ 0 0 47 -3,-0.9 2,-0.9 1,-0.2 -2,-0.1 0.555 72.0 150.9 97.8 10.3 13.2 18.0 -15.9 297 306 A V - 0 0 104 -5,-0.1 -4,-0.5 1,-0.0 -1,-0.2 -0.673 42.9-135.0 -80.5 104.9 11.2 21.0 -14.9 298 307 A A B -F 292 0C 36 -2,-0.9 -6,-0.2 -6,-0.3 -16,-0.1 -0.325 23.8-155.9 -61.1 135.8 8.5 19.7 -12.5 299 308 A G - 0 0 33 -8,-0.8 -1,-0.1 1,-0.2 -7,-0.1 -0.089 39.6 -38.3 -98.6-160.8 5.0 21.1 -13.2 300 309 A E S S- 0 0 164 1,-0.1 -1,-0.2 -10,-0.1 2,-0.0 -0.464 71.4-104.6 -66.4 124.2 1.8 21.7 -11.3 301 310 A P - 0 0 48 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.260 36.1-127.2 -53.5 123.1 1.1 18.8 -8.8 302 311 A L - 0 0 61 -13,-1.8 -13,-0.5 1,-0.1 0, 0.0 -0.481 32.7 -89.9 -76.8 144.1 -1.7 16.5 -10.1 303 312 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.199 42.8-174.8 -55.6 136.6 -4.7 15.7 -7.9 304 313 A V + 0 0 12 -50,-0.1 -48,-0.1 1,-0.1 -47,-0.1 -0.986 19.4 158.8-134.4 141.7 -4.5 12.7 -5.5 305 314 A D + 0 0 97 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.346 61.4 23.9-145.2 4.4 -7.3 11.3 -3.4 306 315 A S S > S- 0 0 57 1,-0.1 4,-0.6 -50,-0.0 -1,-0.2 -0.937 76.2 -99.0-159.3 178.4 -6.5 7.6 -2.6 307 316 A E H >> S+ 0 0 19 -2,-0.3 3,-0.7 2,-0.2 4,-0.6 0.940 124.0 37.7 -71.6 -51.1 -3.8 4.9 -2.2 308 317 A K H 3> S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.708 100.5 80.3 -73.8 -19.9 -4.4 3.4 -5.7 309 318 A D H 34 S+ 0 0 45 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.864 93.3 48.0 -54.2 -39.1 -5.0 6.9 -7.1 310 319 A I H S+ 0 0 3 -4,-0.6 5,-1.5 1,-0.3 2,-0.9 0.749 92.6 72.7 -70.0 -23.5 -0.7 4.0 -8.9 312 321 A D T <5S+ 0 0 96 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.1 -0.229 99.4 47.4 -85.4 44.6 -3.1 5.2 -11.6 313 322 A Y T 45S+ 0 0 46 -2,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.361 110.1 44.4-146.1 -45.0 -0.4 7.5 -12.9 314 323 A I T <5S- 0 0 1 -4,-0.8 -2,-0.1 2,-0.1 3,-0.1 0.108 111.2-108.9 -97.4 19.5 2.8 5.3 -13.1 315 324 A Q T 5S+ 0 0 133 -4,-0.3 2,-0.2 1,-0.2 -3,-0.2 0.714 76.3 135.8 59.5 24.7 0.9 2.3 -14.7 316 325 A W < - 0 0 70 -5,-1.5 2,-0.2 -6,-0.2 -1,-0.2 -0.653 51.3-126.5-101.2 157.1 1.3 0.3 -11.5 317 326 A K - 0 0 138 -2,-0.2 2,-0.8 -3,-0.1 -1,-0.0 -0.631 41.8 -83.3 -98.0 160.5 -1.4 -1.8 -9.7 318 327 A Y - 0 0 74 -2,-0.2 2,-0.6 1,-0.0 -10,-0.1 -0.509 46.3-158.6 -67.6 105.9 -2.4 -1.4 -6.1 319 328 A R - 0 0 93 -2,-0.8 5,-0.1 1,-0.0 -1,-0.0 -0.796 20.8-118.1 -91.0 120.7 0.2 -3.4 -4.1 320 329 A E > - 0 0 88 -2,-0.6 3,-2.6 1,-0.1 4,-0.5 -0.227 17.2-121.5 -56.6 141.0 -1.0 -4.4 -0.7 321 330 A P G > S+ 0 0 11 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.811 112.7 66.3 -53.8 -30.5 0.9 -3.1 2.3 322 331 A K G 3 S+ 0 0 151 1,-0.2 3,-0.1 -149,-0.1 -148,-0.1 0.576 109.6 37.2 -68.9 -9.3 1.6 -6.7 3.3 323 332 A D G X S+ 0 0 74 -3,-2.6 3,-0.7 1,-0.1 -1,-0.2 0.333 85.4 99.0-122.4 2.1 3.7 -7.0 0.1 324 333 A R T < + 0 0 0 -3,-0.9 -55,-0.4 -4,-0.5 -56,-0.1 0.150 48.8 110.9 -78.4 22.6 5.3 -3.6 0.0 325 334 A S T 3 0 0 66 -57,-0.1 -57,-0.4 -3,-0.1 -56,-0.3 0.904 360.0 360.0 -62.7 -43.9 8.5 -5.1 1.6 326 335 A E < 0 0 150 -3,-0.7 -54,-0.1 -58,-0.1 -3,-0.1 -0.085 360.0 360.0-154.5 360.0 10.5 -4.6 -1.6