==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-AUG-08 2ZQ5 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.TANAKA,M.KIMURA,Y.KAKUTA . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 0 0.0 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 . 11 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 1 1 2 3 0 0 2 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A R 0 0 214 0, 0.0 52,-0.1 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0-148.2 18.0 78.0 35.6 2 8 A K + 0 0 129 50,-0.1 45,-0.1 49,-0.1 2,-0.1 0.476 360.0 109.5 -87.1 -2.6 16.8 75.5 33.1 3 9 A D - 0 0 79 1,-0.1 53,-0.1 49,-0.0 3,-0.1 -0.427 59.4-150.3 -70.9 148.5 20.1 73.5 33.1 4 10 A V - 0 0 5 1,-0.2 2,-0.3 34,-0.2 -1,-0.1 0.958 46.8 -87.0 -81.9 -70.1 19.8 70.1 34.8 5 11 A A - 0 0 8 33,-0.1 -1,-0.2 51,-0.0 2,-0.2 -0.927 33.2 -91.3 171.5 169.6 23.3 69.5 36.2 6 12 A T > - 0 0 69 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.556 39.2-109.2 -96.3 166.2 26.8 68.3 35.4 7 13 A V H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.919 120.8 48.0 -61.1 -43.9 28.0 64.7 35.9 8 14 A D H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 110.2 52.2 -63.1 -43.6 30.2 65.8 38.8 9 15 A E H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 108.4 51.0 -60.5 -41.1 27.4 67.8 40.4 10 16 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.907 111.2 47.1 -64.7 -42.0 25.1 64.8 40.3 11 17 A H H X S+ 0 0 15 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.931 113.4 49.5 -64.4 -44.1 27.6 62.6 42.0 12 18 A A H X S+ 0 0 63 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 111.0 48.9 -61.2 -42.5 28.3 65.2 44.6 13 19 A S H X S+ 0 0 46 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.862 110.4 51.0 -66.4 -36.4 24.6 65.7 45.3 14 20 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 5,-0.4 0.944 113.3 45.0 -65.3 -47.0 24.0 62.0 45.6 15 21 A T H X S+ 0 0 39 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.857 109.6 56.2 -64.6 -35.6 26.9 61.7 48.1 16 22 A K H < S+ 0 0 188 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.886 108.1 49.3 -64.4 -37.2 25.7 64.8 50.0 17 23 A L H < S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.932 130.0 13.3 -69.7 -48.9 22.3 63.2 50.5 18 24 A V H < S- 0 0 59 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.579 93.0-123.7-107.4 -12.0 23.3 59.8 51.9 19 25 A G < + 0 0 56 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.1 0.539 68.5 126.6 82.5 5.2 27.0 60.2 52.7 20 26 A L + 0 0 52 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.727 30.4 174.2 -96.3 147.0 28.1 57.3 50.5 21 27 A D + 0 0 121 -2,-0.3 2,-1.0 -3,-0.1 -1,-0.1 0.338 46.1 103.0-134.6 6.8 30.8 57.8 47.9 22 28 A D + 0 0 57 1,-0.2 48,-0.1 45,-0.1 49,-0.1 -0.804 35.5 171.2 -95.6 99.4 31.6 54.3 46.4 23 29 A F - 0 0 22 -2,-1.0 -1,-0.2 1,-0.3 45,-0.0 0.384 42.6-129.2 -86.9 3.5 29.8 54.3 43.1 24 30 A G - 0 0 25 2,-0.1 -1,-0.3 43,-0.1 43,-0.0 -0.140 43.9 -38.9 74.8-177.6 31.4 51.0 42.2 25 31 A T - 0 0 89 1,-0.1 3,-0.3 -3,-0.1 -3,-0.0 -0.258 52.3-119.0 -75.1 169.5 33.3 50.3 39.0 26 32 A D S > S+ 0 0 63 1,-0.2 3,-1.5 2,-0.1 -1,-0.1 -0.169 71.4 126.7-102.0 38.1 32.1 51.7 35.6 27 33 A D T 3 S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.1 175,-0.1 0.685 72.0 53.5 -69.2 -18.2 31.7 48.2 34.2 28 34 A D T 3 S- 0 0 7 -3,-0.3 -1,-0.3 173,-0.1 174,-0.1 0.321 110.5-122.8 -98.5 9.0 28.1 48.9 33.2 29 35 A N <> + 0 0 48 -3,-1.5 4,-1.7 1,-0.1 5,-0.1 0.817 59.8 149.4 56.2 36.7 29.2 52.1 31.3 30 36 A Y H > + 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.809 63.2 59.8 -70.4 -29.5 26.9 54.3 33.4 31 37 A R H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 107.5 43.7 -65.4 -46.1 29.2 57.3 33.1 32 38 A E H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 114.2 52.2 -63.6 -43.7 29.0 57.5 29.3 33 39 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.924 109.4 48.7 -58.1 -46.6 25.3 56.9 29.5 34 40 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.906 111.3 50.3 -61.8 -41.9 24.8 59.7 32.0 35 41 A G H X S+ 0 0 21 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.917 112.2 46.2 -63.0 -44.4 26.8 62.1 29.9 36 42 A V H X S+ 0 0 33 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.908 113.8 49.5 -64.4 -41.5 24.9 61.3 26.7 37 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.912 111.2 48.7 -64.8 -43.1 21.6 61.6 28.6 38 44 A L H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.899 109.8 51.6 -64.3 -41.7 22.6 65.0 30.1 39 45 A D H X S+ 0 0 117 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.872 111.4 49.3 -63.1 -34.9 23.7 66.3 26.7 40 46 A A H X>S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 5,-1.2 0.946 111.7 46.9 -69.5 -48.1 20.3 65.2 25.3 41 47 A Y H X5S+ 0 0 6 -4,-2.6 4,-0.8 1,-0.2 6,-0.6 0.949 119.2 39.7 -57.7 -50.4 18.3 66.9 28.1 42 48 A Q H <5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.663 122.7 40.9 -77.3 -15.4 20.1 70.1 27.9 43 49 A G H <5S+ 0 0 65 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.667 134.4 1.6-107.3 -17.6 20.4 70.2 24.1 44 50 A E H <5S+ 0 0 50 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.509 102.5 85.3-146.2 -11.3 17.0 69.0 22.8 45 51 A A S < - 0 0 33 222,-2.0 4,-2.4 221,-0.1 5,-0.2 -0.272 39.7 -88.9 -92.4-175.6 11.5 74.3 31.6 49 55 A V H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.928 133.1 44.6 -62.5 -43.2 12.6 75.4 35.1 50 56 A L H > S+ 0 0 79 219,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.914 111.7 52.1 -66.3 -44.8 10.3 72.7 36.5 51 57 A G H > S+ 0 0 0 218,-0.5 4,-2.4 1,-0.2 5,-0.2 0.890 110.6 47.6 -60.1 -41.0 11.4 70.1 34.0 52 58 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.895 111.9 50.5 -67.6 -39.6 15.1 70.7 34.8 53 59 A K H X S+ 0 0 130 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.924 112.2 47.7 -64.1 -43.8 14.4 70.5 38.5 54 60 A M H X S+ 0 0 35 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.933 113.7 45.0 -64.6 -47.4 12.5 67.2 38.2 55 61 A N H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.836 109.7 55.6 -68.3 -29.7 15.1 65.5 36.0 56 62 A R H X S+ 0 0 87 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.925 110.3 47.6 -64.9 -40.8 17.9 66.7 38.3 57 63 A F H X S+ 0 0 112 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.921 112.4 48.3 -64.1 -46.2 16.0 65.0 41.1 58 64 A F H X S+ 0 0 49 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.882 113.2 46.5 -64.5 -40.3 15.5 61.8 39.0 59 65 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.898 112.3 49.1 -71.2 -39.7 19.1 61.5 38.0 60 66 A R H X S+ 0 0 68 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.915 110.1 54.6 -63.2 -38.9 20.4 62.2 41.5 61 67 A G H X S+ 0 0 20 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.866 104.2 52.9 -61.3 -38.1 18.0 59.5 42.6 62 68 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.904 111.8 45.9 -64.4 -41.0 19.4 57.0 40.2 63 69 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.840 110.2 52.9 -71.8 -33.6 22.9 57.7 41.5 64 70 A V H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 109.8 49.2 -66.4 -41.8 21.7 57.5 45.1 65 71 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.893 108.8 53.4 -62.1 -40.1 20.1 54.1 44.3 66 72 A R H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.935 109.7 48.1 -59.6 -46.6 23.4 53.0 42.7 67 73 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.890 109.9 52.2 -61.3 -41.9 25.3 54.0 46.0 68 74 A L H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.897 110.6 47.2 -63.7 -41.4 22.8 52.1 48.1 69 75 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.923 110.4 52.1 -66.2 -44.0 23.2 48.9 46.1 70 76 A Q H X S+ 0 0 28 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.920 113.6 44.3 -58.0 -44.7 27.0 49.1 46.1 71 77 A S H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.893 110.8 54.6 -67.2 -40.3 26.9 49.5 49.9 72 78 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 104.3 54.3 -61.6 -39.9 24.3 46.7 50.3 73 79 A W H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.847 109.1 48.5 -63.3 -33.3 26.5 44.3 48.3 74 80 A K H < S+ 0 0 125 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.859 112.2 48.9 -72.4 -37.1 29.4 45.0 50.7 75 81 A Q H < S+ 0 0 118 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.807 124.4 30.3 -71.0 -31.5 27.0 44.4 53.7 76 82 A Y >< + 0 0 82 -4,-2.1 3,-2.0 -5,-0.2 -1,-0.3 -0.558 64.0 162.4-129.7 68.2 25.8 41.2 52.2 77 83 A P G > + 0 0 75 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.768 69.1 76.1 -58.5 -24.1 28.5 39.5 50.2 78 84 A E G > S+ 0 0 86 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.584 70.3 87.0 -64.5 -8.5 26.7 36.2 50.4 79 85 A H G X S+ 0 0 5 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.822 75.0 69.8 -60.6 -28.9 24.3 37.6 47.7 80 86 A V G < S+ 0 0 81 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.725 92.0 58.0 -62.3 -21.8 26.7 36.3 45.1 81 87 A D G < S+ 0 0 135 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.3 0.472 79.4 111.7 -88.4 -1.5 25.8 32.7 46.0 82 88 A V < - 0 0 11 -3,-1.8 2,-0.4 -4,-0.2 129,-0.1 -0.604 58.1-149.6 -77.5 123.7 22.1 33.2 45.2 83 89 A A - 0 0 49 -2,-0.4 2,-0.7 135,-0.1 -2,-0.1 -0.773 1.6-149.7 -94.5 136.8 21.0 31.3 42.2 84 90 A I - 0 0 15 -2,-0.4 2,-0.5 137,-0.1 137,-0.1 -0.910 19.8-163.9-106.7 104.8 18.1 32.8 40.1 85 91 A K - 0 0 147 -2,-0.7 137,-0.2 1,-0.2 155,-0.0 -0.818 57.5 -29.8-101.1 127.1 16.3 29.8 38.5 86 92 A R S S- 0 0 95 -2,-0.5 -1,-0.2 1,-0.1 157,-0.1 0.868 77.4-166.0 38.2 60.3 13.9 30.2 35.6 87 93 A P - 0 0 0 0, 0.0 157,-2.9 0, 0.0 2,-0.5 -0.357 15.8-124.3 -70.5 153.7 12.7 33.7 36.4 88 94 A I E -bc 223 244B 0 134,-2.8 136,-3.0 155,-0.2 2,-0.5 -0.887 22.4-165.9-103.8 129.7 9.6 35.1 34.6 89 95 A F E -bc 224 245B 0 155,-3.0 157,-3.1 -2,-0.5 2,-0.4 -0.970 0.9-164.0-117.6 122.4 9.9 38.3 32.7 90 96 A V E +bc 225 246B 0 134,-2.9 136,-1.8 -2,-0.5 2,-0.3 -0.865 20.1 160.0-103.9 137.3 6.8 40.2 31.5 91 97 A T E + c 0 247B 0 155,-2.3 157,-2.2 -2,-0.4 2,-0.3 -0.968 10.0 107.8-151.8 167.0 7.1 42.8 28.9 92 98 A G - 0 0 2 -2,-0.3 157,-0.1 155,-0.2 138,-0.1 -0.820 66.5 -47.6 146.8 176.6 5.0 44.7 26.3 93 99 A L > - 0 0 5 155,-0.3 3,-1.0 -2,-0.3 5,-0.5 -0.292 64.5 -92.6 -73.8 160.6 3.7 48.3 25.8 94 100 A V T 3 S+ 0 0 52 1,-0.2 -1,-0.1 2,-0.1 165,-0.1 -0.420 114.0 35.1 -67.6 151.9 1.9 50.2 28.5 95 101 A R T 3 S+ 0 0 106 -3,-0.1 -1,-0.2 163,-0.1 -2,-0.1 0.671 92.5 96.9 75.5 19.3 -1.8 49.7 28.2 96 102 A T S < S- 0 0 3 -3,-1.0 153,-0.3 -4,-0.1 -2,-0.1 0.304 105.2 -91.9-118.4 6.2 -1.5 46.1 27.1 97 103 A G S > S+ 0 0 12 151,-0.1 4,-2.3 -4,-0.1 5,-0.2 0.546 83.1 130.8 98.3 8.7 -2.0 44.3 30.4 98 104 A T H > S+ 0 0 6 -5,-0.5 4,-2.6 1,-0.2 5,-0.1 0.887 75.8 50.7 -62.5 -38.4 1.6 44.0 31.7 99 105 A T H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 110.6 47.9 -64.9 -45.6 0.7 45.5 35.1 100 106 A A H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.914 115.4 45.3 -61.1 -43.0 -2.3 43.1 35.6 101 107 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.893 110.5 54.6 -67.1 -40.7 -0.1 40.1 34.6 102 108 A H H X S+ 0 0 5 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.929 110.9 44.7 -58.1 -48.7 2.8 41.3 36.8 103 109 A R H < S+ 0 0 145 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.865 115.0 49.0 -65.6 -38.1 0.5 41.5 39.8 104 110 A L H >X S+ 0 0 24 -4,-1.9 3,-1.4 -5,-0.2 4,-0.5 0.980 115.5 40.3 -66.7 -57.1 -1.1 38.1 39.1 105 111 A L H >< S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.3 -2,-0.2 0.842 115.5 53.7 -61.9 -32.6 2.2 36.2 38.5 106 112 A G T 3< S+ 0 0 17 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.572 94.8 71.1 -79.0 -7.4 3.8 38.0 41.4 107 113 A A T <4 + 0 0 30 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.687 68.1 109.0 -80.4 -21.0 0.9 37.0 43.7 108 114 A D S X< S- 0 0 5 -3,-0.8 3,-2.4 -4,-0.5 229,-0.1 -0.402 70.7-139.5 -58.6 123.6 2.0 33.3 43.8 109 115 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.712 104.1 57.7 -58.8 -20.7 3.4 32.7 47.3 110 116 A A T 3 S+ 0 0 57 110,-0.1 111,-1.9 2,-0.0 2,-0.2 0.360 103.4 68.4 -90.2 2.6 6.2 30.7 45.7 111 117 A H E < -d 221 0B 12 -3,-2.4 2,-0.3 109,-0.3 111,-0.2 -0.723 67.6-151.8-116.2 167.5 7.2 33.7 43.6 112 118 A Q E -d 222 0B 9 109,-2.4 111,-2.0 -2,-0.2 2,-0.2 -0.997 8.3-164.9-142.3 143.5 8.7 37.0 44.5 113 119 A G E -d 223 0B 2 -2,-0.3 2,-1.5 109,-0.2 111,-0.1 -0.762 37.5 -88.1-123.6 171.6 8.5 40.5 42.9 114 120 A L - 0 0 1 109,-0.5 52,-3.3 52,-0.4 5,-0.1 -0.600 45.5-149.4 -82.9 86.4 10.4 43.8 43.1 115 121 A H B >> -F 165 0C 31 -2,-1.5 4,-1.7 50,-0.2 3,-1.1 -0.299 17.9-121.2 -58.8 135.9 8.6 45.6 45.9 116 122 A M H 3> S+ 0 0 13 48,-3.1 4,-2.1 45,-0.3 3,-0.5 0.873 109.1 50.6 -44.6 -53.3 8.6 49.3 45.4 117 123 A W H 3> S+ 0 0 0 45,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.794 110.5 50.2 -63.3 -25.9 10.4 50.2 48.7 118 124 A L H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 44,-0.3 -2,-0.2 0.782 109.0 51.2 -81.4 -27.6 13.2 47.7 47.9 119 125 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.840 114.5 44.5 -74.8 -33.4 13.7 49.1 44.4 120 126 A E H < S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.812 131.4 23.8 -77.5 -30.8 13.9 52.6 46.0 121 127 A Y S < S- 0 0 75 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.661 87.4-145.2-138.2 79.1 16.2 51.2 48.7 122 128 A P + 0 0 2 0, 0.0 -3,-0.1 0, 0.0 -50,-0.1 -0.158 45.3 120.3 -48.5 128.2 18.0 48.0 47.6 123 129 A Q S S- 0 0 30 86,-0.1 2,-0.1 -5,-0.1 -2,-0.1 -0.939 70.9 -62.4-178.0 164.3 18.5 45.6 50.5 124 130 A P - 0 0 9 0, 0.0 89,-0.2 0, 0.0 90,-0.2 -0.432 62.1-107.5 -64.0 134.5 17.6 42.0 51.5 125 131 A R - 0 0 13 88,-2.3 91,-0.1 87,-0.2 3,-0.1 -0.478 35.0-140.9 -65.8 116.8 13.8 41.7 51.7 126 132 A P - 0 0 21 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.314 39.9 -72.5 -73.7 163.1 12.8 41.4 55.4 127 133 A P > - 0 0 69 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.324 47.8-120.5 -56.6 137.2 10.0 39.1 56.4 128 134 A R G > S+ 0 0 122 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.827 108.2 62.2 -47.9 -43.9 6.7 40.6 55.3 129 135 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.622 100.9 55.7 -63.0 -11.6 5.2 40.7 58.8 130 136 A T G X> S+ 0 0 53 -3,-2.2 3,-1.8 1,-0.1 4,-0.5 0.589 79.0 90.7 -97.4 -11.7 8.0 43.1 59.9 131 137 A W G X4 S+ 0 0 1 -3,-1.5 3,-1.7 -4,-0.5 7,-0.3 0.882 81.4 56.0 -52.9 -46.9 7.5 45.9 57.3 132 138 A E G 34 S+ 0 0 95 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.596 114.2 42.7 -64.3 -9.1 5.1 48.0 59.3 133 139 A S G <4 S+ 0 0 101 -3,-1.8 -1,-0.3 -4,-0.0 -2,-0.2 0.363 90.5 109.7-113.8 -0.8 7.7 48.1 62.0 134 140 A N S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.902 99.9 42.9 -49.4 -51.0 12.2 52.2 59.9 136 142 A L H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 114.3 49.0 -67.7 -42.3 13.0 52.4 56.1 137 143 A Y H > S+ 0 0 1 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.955 114.8 45.1 -61.8 -49.5 9.6 50.9 55.0 138 144 A R H X S+ 0 0 136 -4,-2.9 4,-2.2 -7,-0.3 -1,-0.2 0.889 111.4 54.9 -59.9 -40.0 7.7 53.3 57.2 139 145 A Q H X S+ 0 0 111 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.954 115.4 37.1 -58.0 -52.6 9.9 56.1 56.0 140 146 A L H X S+ 0 0 30 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.889 114.3 55.6 -68.1 -40.3 9.2 55.4 52.4 141 147 A D H X S+ 0 0 39 -4,-3.5 4,-2.0 -5,-0.2 -1,-0.2 0.838 106.0 53.8 -61.3 -32.8 5.5 54.5 53.1 142 148 A A H X S+ 0 0 56 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.898 104.3 53.8 -68.8 -41.9 5.2 58.0 54.8 143 149 A D H X S+ 0 0 100 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.923 110.8 46.9 -58.6 -46.3 6.5 59.8 51.7 144 150 A F H X S+ 0 0 47 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.983 111.8 47.0 -59.2 -62.7 3.9 58.1 49.5 145 151 A T H X S+ 0 0 78 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.827 116.7 49.9 -49.2 -34.1 0.9 58.7 51.7 146 152 A Q H X S+ 0 0 104 -4,-1.9 4,-2.0 2,-0.2 3,-0.3 0.995 112.2 40.8 -69.0 -67.0 2.2 62.3 52.0 147 153 A H H X S+ 0 0 61 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.793 115.1 56.9 -53.4 -29.7 2.7 63.2 48.3 148 154 A H H < S+ 0 0 100 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.948 105.4 47.4 -67.3 -50.0 -0.6 61.3 47.6 149 155 A A H < S+ 0 0 68 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.845 107.6 61.3 -59.8 -34.7 -2.6 63.5 50.0 150 156 A E H < S+ 0 0 125 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.988 124.6 3.7 -55.0 -69.8 -1.0 66.5 48.4 151 157 A N S < S- 0 0 65 -4,-1.6 2,-2.3 0, 0.0 -1,-0.3 -0.926 75.0-131.8-126.9 106.9 -2.2 66.0 44.9 152 158 A P - 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0 0 20 -52,-3.3 -52,-0.4 -2,-0.3 59,-0.3 -0.621 15.4-105.5-102.7 161.5 7.7 47.9 40.6 167 173 A E > - 0 0 43 -2,-0.2 3,-1.8 57,-0.1 59,-0.2 -0.449 33.0-108.8 -82.8 157.8 9.1 47.7 37.1 168 174 A C T >> S+ 0 0 0 57,-1.6 4,-2.7 1,-0.3 3,-2.1 0.662 106.9 79.7 -61.8 -19.8 12.8 46.9 36.3 169 175 A W H 3> S+ 0 0 71 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.807 82.3 68.3 -60.1 -24.3 13.6 50.5 35.2 170 176 A Q H <4 S+ 0 0 4 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.759 111.6 31.8 -64.6 -23.3 13.9 51.2 39.0 171 177 A L H X4 S+ 0 0 2 -3,-2.1 3,-1.8 -4,-0.2 4,-0.3 0.832 116.4 54.6 -97.1 -45.6 16.9 49.0 39.0 172 178 A L H ><>S+ 0 0 1 -4,-2.7 3,-1.9 1,-0.3 5,-1.4 0.745 92.2 73.7 -62.0 -24.6 18.3 49.7 35.5 173 179 A R G ><5S+ 0 0 20 -4,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.773 81.5 72.6 -60.7 -23.5 18.3 53.4 36.1 174 180 A Q G < 5S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.811 104.0 39.1 -60.3 -28.1 21.4 52.7 38.3 175 181 A S G < 5S- 0 0 1 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.348 111.1-123.6 -99.8 1.0 23.2 52.1 35.0 176 182 A L T < 5S+ 0 0 0 -3,-1.3 2,-0.6 -4,-0.3 -3,-0.2 0.792 74.6 125.6 56.8 29.7 21.5 55.0 33.3 177 183 A H < + 0 0 3 -5,-1.4 2,-0.3 -8,-0.1 -1,-0.2 -0.948 32.8 126.0-117.4 104.8 20.3 52.5 30.6 178 184 A S - 0 0 1 -2,-0.6 3,-0.5 -3,-0.1 4,-0.4 -0.969 58.0-143.8-162.2 142.1 16.6 52.8 30.3 179 185 A V S > S+ 0 0 6 -2,-0.3 4,-0.5 1,-0.2 -1,-0.0 0.400 90.7 84.9 -87.9 4.8 13.8 53.4 27.7 180 186 A S T >4 S+ 0 0 24 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.877 81.5 60.4 -71.0 -35.9 11.9 55.3 30.4 181 187 A Y G >> S+ 0 0 19 -3,-0.5 3,-1.4 1,-0.2 4,-0.7 0.919 102.7 47.6 -59.1 -49.3 13.8 58.5 29.6 182 188 A E G 34 S+ 0 0 6 -4,-0.4 -1,-0.2 1,-0.3 5,-0.2 0.627 108.9 56.3 -70.3 -13.0 12.8 58.8 25.9 183 189 A A G << S+ 0 0 28 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.475 114.3 38.6 -94.6 -4.0 9.1 58.2 26.8 184 190 A L T <4 S+ 0 0 62 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.360 124.7 22.9-123.7 -0.9 9.1 61.1 29.3 185 191 A A S < S- 0 0 2 -4,-0.7 2,-1.3 -5,-0.1 -1,-0.3 -0.982 82.8 -99.9-160.7 159.5 11.2 63.6 27.4 186 192 A H + 0 0 19 -141,-0.3 3,-0.1 -2,-0.3 -142,-0.1 -0.727 61.0 140.7 -88.1 93.0 12.4 64.5 23.9 187 193 A V >> + 0 0 1 -2,-1.3 4,-2.5 -5,-0.2 3,-0.9 -0.427 8.6 157.7-132.0 59.5 15.8 63.0 23.9 188 194 A P H 3> S+ 0 0 53 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.811 73.9 59.4 -54.2 -32.4 16.3 61.5 20.5 189 195 A S H 3> S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.886 110.3 41.9 -66.6 -36.7 20.1 61.6 20.8 190 196 A Y H <> S+ 0 0 0 -3,-0.9 4,-3.2 2,-0.2 5,-0.2 0.912 113.0 52.6 -75.0 -41.9 20.0 59.4 23.9 191 197 A A H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.915 112.2 46.9 -57.6 -43.0 17.3 57.1 22.4 192 198 A D H X S+ 0 0 87 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.916 112.9 48.2 -64.3 -46.6 19.6 56.7 19.3 193 199 A W H >< S+ 0 0 13 -4,-1.9 3,-1.6 1,-0.2 4,-0.4 0.942 110.8 51.3 -60.1 -48.4 22.7 56.1 21.4 194 200 A L H >< S+ 0 0 3 -4,-3.2 3,-1.6 1,-0.3 -1,-0.2 0.864 100.8 62.1 -59.1 -36.7 20.8 53.5 23.6 195 201 A S H 3< S+ 0 0 69 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.691 105.9 48.2 -64.2 -16.9 19.6 51.6 20.5 196 202 A R T << S+ 0 0 152 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.419 94.3 103.8-101.9 -0.8 23.3 50.9 19.7 197 203 A Q S < S- 0 0 44 -3,-1.6 2,-0.7 -4,-0.4 -3,-0.0 -0.485 72.4-122.8 -89.1 154.0 24.4 49.8 23.2 198 204 A D - 0 0 102 -2,-0.2 4,-0.3 1,-0.1 34,-0.1 -0.834 21.8-165.2 -89.7 115.6 25.0 46.3 24.6 199 205 A W > + 0 0 14 -2,-0.7 4,-2.2 1,-0.2 3,-0.5 0.553 63.2 98.5 -79.7 -7.8 22.6 46.0 27.5 200 206 A T H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 79.6 50.4 -50.6 -48.8 24.4 43.0 29.0 201 207 A P H > S+ 0 0 45 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.899 111.8 50.0 -58.8 -37.0 26.4 44.9 31.6 202 208 A S H > S+ 0 0 1 -3,-0.5 4,-1.9 -4,-0.3 -2,-0.2 0.878 111.6 47.4 -67.8 -38.3 23.2 46.6 32.8 203 209 A Y H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.832 106.6 57.7 -73.1 -29.6 21.4 43.3 33.0 204 210 A C H X S+ 0 0 61 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.901 109.1 45.9 -64.7 -38.0 24.2 41.8 34.9 205 211 A R H X S+ 0 0 19 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.895 108.2 56.9 -69.7 -38.5 23.8 44.5 37.5 206 212 A H H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.934 108.0 48.5 -55.5 -46.3 20.1 43.9 37.5 207 213 A R H X S+ 0 0 79 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.890 106.6 54.6 -63.4 -41.7 20.8 40.3 38.4 208 214 A R H X S+ 0 0 91 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.871 109.1 50.1 -60.5 -35.7 23.2 41.3 41.2 209 215 A N H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.860 108.4 50.8 -71.8 -34.3 20.4 43.4 42.6 210 216 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.900 109.3 52.2 -67.7 -38.7 17.9 40.5 42.4 211 217 A Q H < S+ 0 0 7 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.900 114.2 43.6 -60.7 -42.3 20.4 38.3 44.2 212 218 A L H >< S+ 0 0 0 -4,-1.8 3,-1.5 2,-0.2 4,-0.2 0.962 117.3 42.2 -68.0 -55.2 20.7 41.0 47.0 213 219 A I H 3< S+ 0 0 0 -4,-2.9 -88,-2.3 1,-0.3 3,-0.4 0.852 119.2 46.4 -63.2 -33.9 17.0 41.8 47.3 214 220 A G T >< S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.3 -1,-0.3 0.227 76.1 114.9 -94.3 16.1 16.1 38.1 47.1 215 221 A L T < S+ 0 0 30 -3,-1.5 3,-0.4 1,-0.3 -1,-0.2 0.789 82.7 41.0 -54.4 -34.0 18.8 36.9 49.6 216 222 A N T 3 S+ 0 0 94 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.391 117.7 48.1 -96.4 2.2 16.2 35.8 52.1 217 223 A D X + 0 0 24 -3,-1.7 3,-2.4 1,-0.1 -1,-0.2 -0.148 63.9 143.9-133.0 37.9 13.8 34.3 49.5 218 224 A A T 3 S+ 0 0 55 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.737 70.4 56.9 -51.5 -29.9 16.3 32.2 47.5 219 225 A E T 3 S+ 0 0 144 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.561 90.1 93.2 -82.1 -7.4 13.8 29.4 46.9 220 226 A K S < S- 0 0 51 -3,-2.4 2,-0.3 -6,-0.2 -109,-0.3 -0.693 78.6-120.4 -92.4 138.5 11.2 31.8 45.3 221 227 A R E - d 0 111B 58 -111,-1.9 -109,-2.4 -2,-0.3 2,-0.2 -0.569 29.2-123.3 -75.8 132.1 11.0 32.4 41.6 222 228 A W E - d 0 112B 3 -2,-0.3 -134,-2.8 -137,-0.2 2,-0.4 -0.506 20.9-162.8 -76.6 143.8 11.5 36.0 40.5 223 229 A V E +bd 88 113B 0 -111,-2.0 -109,-0.5 -136,-0.2 2,-0.3 -0.997 14.5 179.0-128.0 122.4 8.8 37.7 38.5 224 230 A L E -b 89 0B 2 -136,-3.0 -134,-2.9 -2,-0.4 2,-0.3 -0.848 12.3-170.6-123.3 158.6 9.8 40.9 36.6 225 231 A K E +b 90 0B 7 -59,-0.3 -57,-1.6 -2,-0.3 -134,-0.2 -0.960 22.7 132.4-150.6 132.3 8.1 43.4 34.4 226 232 A N > - 0 0 2 -136,-1.8 3,-1.0 -2,-0.3 4,-0.2 -0.892 54.2-123.4-175.9 144.6 9.5 46.2 32.3 227 233 A P T >> S+ 0 0 22 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.791 102.6 73.2 -65.2 -26.2 9.3 47.8 28.8 228 234 A S H >> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-1.0 0.789 78.5 74.7 -59.9 -27.3 13.1 47.4 28.4 229 235 A H H <4 S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.3 4,-0.2 0.743 89.4 59.6 -60.3 -20.6 12.9 43.7 28.0 230 236 A L H <4 S+ 0 0 0 -3,-1.8 3,-0.4 -4,-0.2 -1,-0.3 0.884 113.6 36.4 -71.3 -38.3 11.5 44.3 24.4 231 237 A F H << S+ 0 0 31 -3,-1.0 -2,-0.2 -4,-0.5 3,-0.2 0.681 122.9 41.5 -86.7 -23.7 14.8 46.2 23.5 232 238 A A X + 0 0 4 -4,-2.0 4,-2.5 1,-0.1 3,-0.2 -0.091 64.4 131.2-121.6 36.5 17.3 44.1 25.5 233 239 A L H > S+ 0 0 2 -3,-0.4 4,-3.0 1,-0.2 5,-0.2 0.873 75.4 54.0 -58.1 -39.5 16.2 40.5 25.0 234 240 A D H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 111.7 44.9 -62.3 -41.0 19.7 39.3 24.0 235 241 A A H > S+ 0 0 4 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.889 112.4 53.1 -67.5 -38.6 21.1 40.8 27.2 236 242 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.951 112.3 43.1 -61.0 -50.3 18.3 39.3 29.2 237 243 A M H < S+ 0 0 8 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.6 54.4 -67.4 -31.7 18.9 35.8 27.8 238 244 A A H < S+ 0 0 65 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.883 117.6 37.0 -68.2 -36.0 22.7 36.2 28.3 239 245 A T H < S+ 0 0 15 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.819 132.8 26.9 -83.2 -34.6 22.1 37.0 31.9 240 246 A Y >< + 0 0 2 -4,-2.9 3,-2.1 -5,-0.2 -1,-0.3 -0.692 69.1 176.2-130.7 76.0 19.2 34.7 32.5 241 247 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.758 82.2 46.8 -52.1 -31.2 19.7 31.8 30.0 242 248 A D T 3 S+ 0 0 45 2,-0.1 -5,-0.1 0, 0.0 -157,-0.0 0.118 84.3 145.8-100.6 19.8 16.7 29.9 31.4 243 249 A A < - 0 0 0 -3,-2.1 2,-0.6 -157,-0.1 -155,-0.2 -0.178 44.0-141.4 -61.2 149.1 14.3 32.9 31.5 244 250 A L E -c 88 0B 0 -157,-2.9 -155,-3.0 2,-0.0 2,-0.5 -0.965 23.0-162.3-112.2 114.0 10.6 32.5 30.8 245 251 A V E -ce 89 306B 1 60,-3.1 62,-2.0 -2,-0.6 2,-0.5 -0.881 10.6-170.9-109.0 128.6 9.4 35.5 28.8 246 252 A V E -ce 90 307B 0 -157,-3.1 -155,-2.3 -2,-0.5 2,-0.5 -0.968 5.5-165.8-117.7 123.1 5.8 36.6 28.5 247 253 A Q E -ce 91 308B 1 60,-2.6 62,-3.0 -2,-0.5 2,-0.2 -0.925 10.0-144.8-111.9 130.9 4.8 39.3 26.0 248 254 A T E - e 0 309B 3 -157,-2.2 2,-0.4 -2,-0.5 -155,-0.3 -0.627 16.5-158.2 -90.4 151.7 1.5 41.1 26.1 249 255 A H E + e 0 310B 40 60,-2.1 62,-2.8 -153,-0.3 63,-0.2 -0.984 23.1 153.2-135.8 144.3 -0.2 42.1 22.8 250 256 A R - 0 0 84 -2,-0.4 5,-0.1 60,-0.2 -157,-0.1 -0.882 56.7 -90.3-164.6 131.6 -2.9 44.7 21.8 251 257 A P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.273 37.8-143.1 -49.5 116.8 -3.3 46.4 18.4 252 258 A V G >> S+ 0 0 6 1,-0.3 4,-2.3 114,-0.2 3,-1.8 0.788 94.1 66.9 -57.7 -31.8 -1.2 49.5 18.9 253 259 A E G 34 S+ 0 0 59 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.734 98.5 56.1 -63.6 -17.9 -3.6 51.8 17.0 254 260 A T G <4 S+ 0 0 84 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.521 119.6 27.4 -90.6 -5.5 -6.1 51.3 19.8 255 261 A I T <> S+ 0 0 3 -3,-1.8 4,-2.7 -4,-0.3 5,-0.2 0.512 90.5 93.3-130.0 -11.4 -3.7 52.5 22.5 256 262 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.896 90.4 48.5 -53.9 -44.9 -1.3 55.0 20.9 257 263 A A H > S+ 0 0 14 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.933 112.9 48.4 -61.9 -43.3 -3.4 58.0 21.8 258 264 A S H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.885 110.1 52.3 -62.6 -40.4 -3.8 56.7 25.4 259 265 A M H X S+ 0 0 11 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.915 112.4 44.7 -62.2 -44.1 -0.0 56.2 25.6 260 266 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.882 111.0 53.4 -68.4 -38.9 0.7 59.7 24.4 261 267 A S H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.884 107.8 51.5 -63.7 -38.9 -1.9 61.2 26.8 262 268 A L H X S+ 0 0 59 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.938 112.2 45.5 -63.2 -46.2 -0.3 59.4 29.7 263 269 A A H X S+ 0 0 11 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.902 112.6 52.5 -62.8 -41.4 3.1 60.8 28.8 264 270 A Q H < S+ 0 0 62 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.944 113.2 41.6 -60.1 -51.8 1.6 64.3 28.3 265 271 A H H >< S+ 0 0 65 -4,-2.7 -109,-2.6 1,-0.2 3,-0.8 0.872 113.4 53.0 -66.7 -37.8 -0.2 64.4 31.6 266 272 A T H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.908 119.0 34.8 -63.7 -41.1 2.8 62.9 33.5 267 273 A T T >< S+ 0 0 8 -4,-2.1 3,-2.4 -5,-0.2 4,-0.5 0.166 81.6 149.8-101.2 16.4 5.2 65.5 32.1 268 274 A E T < S+ 0 0 94 -3,-0.8 -111,-0.1 1,-0.3 -3,-0.1 -0.262 74.8 8.9 -54.4 126.7 2.9 68.5 31.9 269 275 A G T 3 S+ 0 0 44 2,-0.3 -218,-0.5 -113,-0.1 -219,-0.3 0.436 101.8 101.2 83.0 -0.6 4.9 71.7 32.4 270 276 A W S < S+ 0 0 10 -3,-2.4 -222,-2.0 1,-0.2 2,-0.3 0.680 88.0 12.4 -88.5 -18.9 8.3 70.0 32.2 271 277 A S B -A 47 0A 14 -4,-0.5 -2,-0.3 -224,-0.3 -224,-0.2 -0.996 45.3-151.3-157.8 152.0 9.0 70.9 28.6 272 278 A T S S+ 0 0 115 -226,-2.2 3,-0.1 -2,-0.3 -226,-0.1 0.455 104.0 47.2-100.4 -4.9 7.9 73.2 25.7 273 279 A K S S+ 0 0 87 -228,-0.5 2,-2.0 -227,-0.4 5,-0.2 0.812 96.2 66.7-101.8 -45.0 9.2 70.6 23.2 274 280 A F S S+ 0 0 8 -229,-0.6 2,-0.3 -228,-0.1 -3,-0.2 -0.554 83.9 104.6 -83.1 76.7 7.9 67.3 24.4 275 281 A V S >> S- 0 0 69 -2,-2.0 3,-1.8 -3,-0.1 4,-0.8 -0.944 75.2 -21.8-148.0 164.0 4.2 68.1 23.8 276 282 A G H >> S+ 0 0 17 -2,-0.3 4,-1.6 1,-0.3 3,-0.8 0.073 127.9 11.3 36.6-122.2 1.5 67.3 21.3 277 283 A A H 3> S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.770 125.8 60.4 -56.6 -30.8 2.8 66.0 17.9 278 284 A Q H <> S+ 0 0 47 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.889 103.0 50.9 -67.6 -37.3 6.3 65.6 19.2 279 285 A I H < S+ 0 0 10 -4,-2.2 3,-1.1 1,-0.2 4,-0.2 0.845 106.1 63.6 -75.7 -36.2 16.0 38.8 18.8 298 304 A R H >< S+ 0 0 48 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.809 87.6 73.1 -59.3 -32.1 13.4 36.3 19.9 299 305 A A T 3< S+ 0 0 87 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.796 90.7 56.2 -55.2 -33.3 13.9 34.2 16.8 300 306 A K T < S+ 0 0 122 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.2 0.537 99.1 76.1 -80.1 -5.4 17.3 32.8 17.9 301 307 A Y S < S- 0 0 61 -3,-1.8 2,-0.4 -4,-0.2 5,-0.1 -0.596 95.9 -82.9-106.5 167.6 16.0 31.4 21.2 302 308 A D > - 0 0 92 -2,-0.2 3,-2.2 1,-0.2 -2,-0.1 -0.529 31.3-146.5 -68.3 119.0 14.0 28.4 22.2 303 309 A S G > S+ 0 0 91 -2,-0.4 3,-1.9 1,-0.3 -1,-0.2 0.695 92.8 77.3 -60.9 -18.4 10.3 29.1 21.7 304 310 A A G 3 S+ 0 0 53 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.730 90.8 56.5 -63.6 -19.7 9.5 26.9 24.7 305 311 A Q G < S+ 0 0 39 -3,-2.2 -60,-3.1 -61,-0.1 2,-0.3 0.293 100.1 72.9 -95.4 10.3 10.7 29.9 26.8 306 312 A F E < -e 245 0B 5 -3,-1.9 2,-0.3 -62,-0.2 -60,-0.2 -0.945 52.0-177.8-129.1 148.4 8.2 32.4 25.3 307 313 A Y E -e 246 0B 37 -62,-2.0 -60,-2.6 -2,-0.3 2,-0.5 -0.994 14.6-148.1-144.5 135.0 4.5 33.0 25.6 308 314 A D E -e 247 0B 67 -2,-0.3 2,-0.5 -62,-0.2 -60,-0.2 -0.913 12.5-165.3-107.6 127.8 2.3 35.5 23.9 309 315 A V E -e 248 0B 4 -62,-3.0 -60,-2.1 -2,-0.5 2,-0.4 -0.942 11.0-143.7-114.8 130.2 -0.8 36.9 25.8 310 316 A D E > -e 249 0B 64 -2,-0.5 4,-2.2 -62,-0.2 3,-0.5 -0.778 14.7-134.6 -92.8 133.8 -3.5 38.8 24.0 311 317 A Y H > S+ 0 0 63 -62,-2.8 4,-2.7 -2,-0.4 5,-0.2 0.880 107.0 50.6 -51.5 -42.6 -5.1 41.7 26.0 312 318 A H H > S+ 0 0 120 -63,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.828 110.4 47.3 -68.3 -33.0 -8.6 40.5 25.0 313 319 A D H > S+ 0 0 84 -3,-0.5 4,-1.0 2,-0.1 -1,-0.2 0.798 115.3 49.8 -76.3 -27.3 -7.9 36.9 26.1 314 320 A L H >< S+ 0 0 3 -4,-2.2 3,-0.7 2,-0.2 7,-0.2 0.979 108.5 46.6 -73.0 -61.1 -6.5 38.2 29.3 315 321 A I H 3< S+ 0 0 98 -4,-2.7 -2,-0.1 1,-0.2 -3,-0.1 0.870 109.7 56.6 -49.9 -43.7 -9.2 40.7 30.4 316 322 A A H 3< S+ 0 0 85 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 130.0 4.0 -58.6 -40.5 -11.9 38.0 29.7 317 323 A D S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.925 86.3 45.6 -58.0 -52.4 -7.2 36.4 34.2 319 325 A L H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.857 112.0 51.7 -63.7 -37.0 -6.9 33.1 36.0 320 326 A G H > S+ 0 0 28 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 111.0 48.1 -67.1 -39.0 -7.4 31.0 32.9 321 327 A T H X S+ 0 0 15 -4,-1.9 4,-1.8 -7,-0.2 -2,-0.2 0.933 113.1 47.2 -65.6 -46.7 -4.7 32.9 31.1 322 328 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.889 109.0 55.4 -61.9 -39.9 -2.3 32.5 34.0 323 329 A A H X S+ 0 0 35 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.879 108.5 48.1 -61.2 -37.4 -3.2 28.8 34.2 324 330 A D H X S+ 0 0 55 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.828 108.3 54.4 -73.2 -31.7 -2.2 28.4 30.6 325 331 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.936 110.6 45.9 -65.9 -45.8 1.1 30.3 31.1 326 332 A Y H <>S+ 0 0 3 -4,-2.5 5,-3.4 2,-0.2 4,-0.5 0.922 113.3 50.3 -61.6 -43.8 2.0 27.9 33.9 327 333 A R H ><5S+ 0 0 151 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.943 108.9 51.5 -58.9 -49.9 1.0 25.0 31.8 328 334 A H H 3<5S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.891 114.8 41.7 -55.0 -44.8 3.1 26.2 28.9 329 335 A F T 3<5S- 0 0 7 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.396 115.4-113.4 -86.5 3.7 6.2 26.6 31.0 330 336 A G T < 5 + 0 0 62 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.834 66.3 147.8 69.3 33.0 5.6 23.4 32.9 331 337 A L < - 0 0 20 -5,-3.4 2,-0.5 -6,-0.2 -1,-0.2 -0.781 48.4-122.4-103.5 145.8 4.9 25.1 36.2 332 338 A T - 0 0 129 -2,-0.3 2,-0.9 1,-0.0 -5,-0.0 -0.735 16.6-147.3 -88.3 128.1 2.5 23.9 38.9 333 339 A L - 0 0 36 -2,-0.5 -10,-0.0 -10,-0.1 -1,-0.0 -0.843 21.4-152.2 -98.0 103.8 -0.2 26.3 39.8 334 340 A S > - 0 0 28 -2,-0.9 4,-2.1 1,-0.1 5,-0.1 -0.183 22.6-115.6 -72.3 165.2 -1.0 25.7 43.5 335 341 A D H > S+ 0 0 134 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.901 117.0 51.5 -67.3 -42.2 -4.2 26.4 45.4 336 342 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.869 109.0 52.2 -63.2 -36.0 -2.7 29.1 47.5 337 343 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.939 109.6 48.0 -64.8 -47.7 -1.4 30.8 44.4 338 344 A R H X S+ 0 0 93 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.906 112.4 49.5 -59.6 -43.4 -4.8 30.7 42.7 339 345 A Q H X S+ 0 0 143 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.942 110.6 48.8 -61.9 -48.2 -6.4 32.1 45.9 340 346 A A H < S+ 0 0 35 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.853 112.4 50.7 -59.7 -34.9 -3.9 34.9 46.1 341 347 A M H < S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.829 102.4 57.6 -73.1 -33.9 -4.5 35.7 42.5 342 348 A T H < 0 0 96 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 360.0 360.0 -68.6 -20.4 -8.3 35.9 42.8 343 349 A T < 0 0 147 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.553 360.0 360.0 -80.3 360.0 -7.7 38.6 45.4 344 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 345 363 A H 0 0 231 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.0 -11.4 65.8 28.6 346 364 A S - 0 0 105 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.244 360.0-147.0 -77.5 166.1 -11.0 63.3 25.8 347 365 A Y - 0 0 110 -2,-0.0 2,-0.3 5,-0.0 -89,-0.1 -0.925 12.1-172.4-132.1 156.3 -7.9 62.6 23.7 348 366 A S > - 0 0 48 -2,-0.3 3,-0.5 -91,-0.1 4,-0.4 -0.919 40.3-107.9-143.0 166.9 -7.4 61.5 20.1 349 367 A L G > >S+ 0 0 28 -2,-0.3 5,-2.3 1,-0.2 3,-1.6 0.859 117.4 62.8 -64.8 -34.0 -4.6 60.5 17.7 350 368 A A G > 5S+ 0 0 74 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.826 90.2 66.6 -60.5 -32.3 -5.0 63.9 16.0 351 369 A D G < 5S+ 0 0 82 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.765 107.5 41.5 -60.2 -23.1 -3.9 65.6 19.3 352 370 A Y G < 5S- 0 0 2 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.046 123.7-101.4-113.9 25.2 -0.5 63.9 18.8 353 371 A G T < 5S+ 0 0 46 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.723 83.4 121.9 64.5 26.6 -0.3 64.5 15.0 354 372 A L < - 0 0 11 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.811 47.6-154.7-122.3 159.8 -1.2 61.0 14.1 355 373 A T > - 0 0 62 -2,-0.3 4,-1.8 -3,-0.1 5,-0.2 -0.872 34.1-115.1-122.7 158.7 -3.9 59.2 12.1 356 374 A V H > S+ 0 0 53 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.869 118.3 57.3 -62.3 -33.5 -5.1 55.6 12.7 357 375 A E H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 103.3 52.6 -62.9 -42.1 -3.6 54.8 9.3 358 376 A M H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.907 111.2 46.4 -61.3 -42.3 -0.1 56.0 10.4 359 377 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.929 111.7 49.2 -68.7 -44.2 -0.2 53.8 13.5 360 378 A K H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.4 48.2 -62.3 -35.1 -1.4 50.7 11.6 361 379 A E H >< S+ 0 0 151 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.949 112.1 46.0 -68.9 -51.2 1.3 51.2 9.0 362 380 A R H 3< S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 119.8 41.8 -62.2 -34.1 4.2 51.8 11.5 363 381 A F T >< S+ 0 0 10 -4,-2.3 3,-2.5 -5,-0.2 -1,-0.3 0.143 78.2 148.0-102.2 20.8 3.2 48.8 13.6 364 382 A A T < S+ 0 0 70 -3,-1.4 -3,-0.1 1,-0.3 -4,-0.0 -0.348 79.6 4.5 -57.3 126.0 2.4 46.4 10.7 365 383 A G T 3 0 0 80 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.487 360.0 360.0 76.5 3.7 3.2 42.9 11.9 366 384 A L < 0 0 63 -3,-2.5 -1,-0.3 -71,-0.0 -114,-0.2 -0.629 360.0 360.0-110.7 360.0 4.0 44.1 15.4