==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 15-SEP-11 3TU0 . COMPND 2 MOLECULE: LEUCINE TRANSPORTER LEUT; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.KRISHNAMURTHY,E.GOUAUX . 510 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 80.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 6.1 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 1 1 3 1 5 3 0 0 1 1 2 2 1 1 1 0 0 1 0 2 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 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 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 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 R 0 0 121 0, 0.0 68,-0.0 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 120.2 7.4 31.9 17.8 2 6 A E - 0 0 45 1,-0.0 2,-0.3 262,-0.0 179,-0.0 -0.226 360.0-175.5 -73.7 147.9 7.6 29.7 20.9 3 7 A H - 0 0 49 262,-0.0 2,-0.3 261,-0.0 180,-0.2 -0.904 41.1 -81.5-131.8 162.5 10.7 29.0 23.1 4 8 A W - 0 0 13 259,-1.4 261,-0.2 -2,-0.3 6,-0.1 -0.487 35.8-145.9 -67.9 127.5 11.3 26.7 26.1 5 9 A A S S+ 0 0 75 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.961 76.7 19.2 -60.0 -58.0 10.0 28.4 29.3 6 10 A T > - 0 0 55 1,-0.1 4,-1.7 177,-0.1 -1,-0.1 -0.844 69.9-128.5-118.8 153.7 12.6 27.1 31.8 7 11 A R H > S+ 0 0 87 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.914 109.8 48.8 -65.0 -45.5 16.1 25.7 31.3 8 12 A L H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 109.5 53.0 -61.1 -43.9 15.5 22.6 33.4 9 13 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 107.0 54.5 -58.4 -38.9 12.3 21.9 31.5 10 14 A L H >X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-0.8 0.986 110.0 43.9 -53.9 -63.5 14.4 22.2 28.3 11 15 A I H 3X S+ 0 0 22 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.842 114.4 51.7 -51.5 -37.9 16.9 19.6 29.5 12 16 A L H 3X S+ 0 0 21 -4,-2.6 4,-1.4 2,-0.2 -1,-0.3 0.788 110.7 47.2 -73.8 -27.7 14.0 17.4 30.6 13 17 A A H << S+ 0 0 3 -4,-1.9 4,-0.4 -3,-0.8 -2,-0.2 0.822 115.3 46.7 -78.1 -33.2 12.3 17.7 27.2 14 18 A M H X S+ 0 0 6 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.831 112.2 49.2 -76.1 -34.8 15.6 16.9 25.5 15 19 A A H X S+ 0 0 0 -4,-2.4 4,-3.6 -5,-0.2 -2,-0.2 0.864 113.0 47.5 -71.6 -37.4 16.3 13.9 27.9 16 20 A G H < S+ 0 0 1 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.628 104.3 62.9 -75.6 -14.9 12.7 12.7 27.2 17 21 A N H 4 S+ 0 0 0 -4,-0.4 -2,-0.2 336,-0.1 -1,-0.2 0.936 116.8 28.9 -68.4 -48.9 13.5 13.2 23.5 18 22 A A H < S+ 0 0 4 -4,-1.7 -2,-0.2 259,-0.1 233,-0.2 0.943 108.5 81.0 -71.8 -53.4 16.2 10.6 23.8 19 23 A V < + 0 0 0 -4,-3.6 2,-0.3 258,-0.2 262,-0.1 -0.322 64.7 91.7 -66.5 135.8 14.8 8.5 26.6 20 24 A G S >> S- 0 0 0 261,-0.1 3,-1.7 329,-0.1 4,-0.9 -0.942 87.3 -23.8 174.8-157.8 12.1 5.9 25.6 21 25 A L H 3>>S+ 0 0 7 491,-0.4 4,-1.8 1,-0.3 5,-1.7 0.745 123.7 66.2 -52.4 -27.7 11.4 2.4 24.5 22 26 A G H 34>S+ 0 0 0 490,-1.5 5,-2.4 1,-0.2 -1,-0.3 0.856 98.9 51.4 -63.8 -36.5 14.9 2.2 23.2 23 27 A N H <45S+ 0 0 0 -3,-1.7 -1,-0.2 489,-0.3 -2,-0.2 0.842 127.5 20.5 -62.9 -35.7 16.2 2.4 26.7 24 28 A F H <5S+ 0 0 2 -4,-0.9 -2,-0.2 3,-0.1 -3,-0.1 0.897 132.7 27.3-109.7 -60.5 14.0 -0.4 27.9 25 29 A L T X5S+ 0 0 17 -4,-1.8 4,-0.9 2,-0.1 -3,-0.2 0.965 128.4 35.9 -66.6 -53.9 12.7 -2.7 25.1 26 30 A R H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.893 111.1 49.8 -54.1 -42.2 18.5 -5.2 26.6 29 33 A V H X S+ 0 0 2 -4,-0.9 4,-3.3 -3,-0.4 5,-0.3 0.960 110.4 46.8 -60.9 -55.9 18.0 -7.1 23.3 30 34 A Q H X S+ 0 0 34 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.810 116.5 46.4 -59.6 -31.9 20.9 -5.7 21.4 31 35 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 -5,-0.3 -1,-0.2 0.846 113.8 47.7 -78.5 -36.3 23.2 -6.3 24.4 32 36 A A H ><5S+ 0 0 5 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.939 114.0 45.8 -68.4 -49.6 21.9 -9.8 24.9 33 37 A E H 3<5S+ 0 0 68 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 115.7 47.8 -57.8 -41.4 22.3 -10.8 21.3 34 38 A N T 3<5S- 0 0 21 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.309 118.9-107.0 -92.0 6.7 25.7 -9.2 21.1 35 39 A G T X 5 - 0 0 30 -3,-1.1 3,-1.5 -4,-0.2 -3,-0.2 0.917 42.6 -92.7 75.7 48.7 27.0 -10.8 24.3 36 40 A G T >> S+ 0 0 2 190,-1.2 4,-1.2 187,-1.2 -1,-0.3 0.582 116.2 68.2 -62.4 -10.8 30.6 -6.6 27.6 38 42 A A H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 189,-0.3 -2,-0.2 0.807 105.7 41.3 -71.9 -32.6 31.3 -7.3 24.0 39 43 A F H <> S+ 0 0 0 -3,-2.3 4,-2.3 -8,-0.2 -2,-0.2 0.785 108.6 61.2 -80.9 -31.1 28.6 -4.9 23.2 40 44 A M H X S+ 0 0 7 -4,-1.3 4,-3.0 185,-0.3 5,-0.2 0.873 96.1 55.7 -71.2 -40.7 29.5 -2.3 25.8 41 45 A I H X S+ 0 0 44 -4,-1.2 4,-2.2 2,-0.2 5,-0.2 0.944 115.7 39.4 -58.5 -49.5 33.1 -1.4 24.6 42 46 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.915 114.4 55.3 -61.7 -43.4 31.7 -0.5 21.1 43 47 A Y H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.882 111.6 43.3 -57.9 -42.3 28.6 1.1 22.7 44 48 A I H X S+ 0 0 80 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.948 116.1 45.4 -69.2 -51.5 30.8 3.4 24.8 45 49 A I H X S+ 0 0 63 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.894 114.1 50.4 -60.6 -40.6 33.3 4.3 22.1 46 50 A A H X>S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 5,-1.8 0.890 107.3 55.8 -62.3 -39.8 30.4 4.9 19.7 47 51 A F H <>S+ 0 0 31 -4,-1.7 5,-3.2 -5,-0.3 -2,-0.2 0.954 115.7 35.6 -55.8 -53.2 28.8 7.1 22.4 48 52 A L H <5S+ 0 0 75 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.959 125.3 38.6 -66.3 -53.1 31.9 9.3 22.6 49 53 A L H <5S+ 0 0 45 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.705 136.5 8.5 -76.5 -22.3 32.9 9.3 18.9 50 54 A V T X5S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.709 125.0 46.1-123.9 -64.5 29.5 9.4 17.3 51 55 A G H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.847 115.2 54.1 -65.3 -32.6 29.5 14.9 18.6 54 58 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.843 103.8 55.9 -68.1 -34.5 26.4 14.2 16.5 55 59 A M H X S+ 0 0 10 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.884 107.2 47.7 -69.0 -39.7 24.1 15.6 19.3 56 60 A W H X S+ 0 0 13 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.900 110.8 53.5 -65.1 -41.5 25.9 19.0 19.4 57 61 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.962 111.5 43.6 -55.7 -55.1 25.7 19.2 15.6 58 62 A E H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.867 112.9 54.7 -60.4 -38.4 21.9 18.6 15.7 59 63 A W H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 3,-0.5 0.991 110.5 43.1 -54.9 -65.1 21.6 21.0 18.6 60 64 A A H X S+ 0 0 0 -4,-2.7 4,-3.7 1,-0.3 5,-0.3 0.889 112.1 53.7 -49.3 -49.8 23.4 23.9 16.9 61 65 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 0.888 110.9 47.9 -55.7 -41.0 21.5 23.3 13.6 62 66 A G H X S+ 0 0 0 -4,-2.0 4,-3.2 -3,-0.5 -2,-0.2 0.963 115.8 41.9 -63.4 -54.2 18.2 23.5 15.4 63 67 A R H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.940 115.6 49.6 -58.6 -51.0 19.1 26.7 17.3 64 68 A Y H X S+ 0 0 43 -4,-3.7 4,-0.8 1,-0.2 -1,-0.2 0.908 115.5 45.4 -54.3 -43.9 20.7 28.3 14.2 65 69 A G H ><>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.3 3,-0.8 0.903 108.3 54.0 -67.7 -45.2 17.6 27.3 12.3 66 70 A G H ><5S+ 0 0 10 -4,-3.2 3,-1.5 3,-0.3 -1,-0.2 0.839 100.1 63.5 -59.5 -33.3 15.1 28.5 14.9 67 71 A A H 3<5S+ 0 0 68 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.876 107.4 42.4 -57.5 -37.9 16.8 31.9 14.9 68 72 A Q T <<5S- 0 0 103 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.338 127.9-101.8 -89.8 4.2 15.7 32.2 11.2 69 73 A G T < 5S+ 0 0 29 -3,-1.5 2,-0.4 1,-0.2 -3,-0.3 0.779 85.1 119.8 82.1 28.6 12.3 30.8 12.1 70 74 A H < + 0 0 37 -5,-2.6 -2,-0.2 -8,-0.2 -1,-0.2 -0.972 32.0 173.9-131.1 120.9 12.9 27.3 10.8 71 75 A G + 0 0 0 -2,-0.4 191,-0.2 289,-0.3 2,-0.1 0.683 60.0 66.4 -94.6 -20.7 12.7 24.1 12.9 72 76 A T S > S- 0 0 2 288,-0.2 4,-2.4 -7,-0.1 5,-0.1 -0.460 79.9-113.9-104.8 174.3 13.1 21.4 10.3 73 77 A T H > S+ 0 0 2 17,-0.3 4,-3.5 2,-0.2 5,-0.5 0.912 105.9 63.2 -71.2 -48.8 15.7 20.1 7.8 74 78 A P H 4 S+ 0 0 4 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.836 118.0 33.7 -49.9 -33.2 14.2 20.9 4.4 75 79 A A H >> S+ 0 0 11 2,-0.1 4,-1.3 15,-0.1 3,-1.0 0.943 119.7 47.0 -81.8 -62.3 14.5 24.5 5.5 76 80 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 3,-0.5 0.867 107.9 57.2 -49.1 -45.4 17.7 24.5 7.6 77 81 A F H 3X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.3 -1,-0.3 0.862 102.0 56.0 -57.3 -36.6 19.6 22.5 5.0 78 82 A Y H <4 S+ 0 0 55 -3,-1.0 -1,-0.3 -5,-0.5 -2,-0.2 0.891 108.6 49.6 -60.0 -38.1 18.8 25.2 2.5 79 83 A L H < S+ 0 0 17 -4,-1.3 -2,-0.2 -3,-0.5 3,-0.2 0.908 114.1 40.4 -70.6 -46.7 20.5 27.7 4.9 80 84 A L H < S+ 0 0 12 -4,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.954 135.6 15.8 -68.8 -50.8 23.7 25.8 5.6 81 85 A W S < S- 0 0 61 -4,-2.3 2,-0.8 -5,-0.2 -1,-0.3 -0.996 84.3-134.3-125.4 125.5 24.1 24.7 2.0 82 86 A R + 0 0 156 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 -0.686 53.9 111.4 -91.1 109.3 22.1 26.5 -0.7 83 87 A N S > S- 0 0 63 -2,-0.8 4,-0.6 1,-0.1 -2,-0.1 -0.983 71.0-125.9-160.8 162.2 20.5 24.0 -3.1 84 88 A R H > S+ 0 0 117 -2,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.646 120.6 55.6 -80.6 -21.2 17.3 22.5 -4.3 85 89 A F H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.610 98.7 59.4 -83.7 -15.2 19.2 19.3 -3.5 86 90 A A H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.1 -1,-0.2 0.826 106.5 47.6 -77.3 -34.2 19.7 20.5 0.0 87 91 A K H X S+ 0 0 11 -4,-0.6 4,-0.6 2,-0.2 -2,-0.2 0.891 110.9 51.7 -69.8 -41.3 16.0 20.7 0.5 88 92 A I H >< S+ 0 0 75 -4,-1.3 3,-1.0 1,-0.2 4,-0.3 0.897 108.2 49.1 -65.1 -43.5 15.5 17.2 -1.0 89 93 A L H >< S+ 0 0 24 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.739 107.8 60.1 -66.4 -19.5 18.1 15.6 1.3 90 94 A G H >X S+ 0 0 0 -4,-0.6 3,-1.8 1,-0.2 4,-0.5 0.664 83.1 76.6 -81.5 -17.9 16.2 17.4 4.1 91 95 A V H S+ 0 0 44 -3,-0.7 4,-2.9 -4,-0.3 -1,-0.3 0.719 90.8 62.6 -71.6 -23.1 14.5 12.6 5.1 93 97 A G H <4 S+ 0 0 1 -3,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.750 111.0 36.1 -72.7 -29.7 14.2 14.8 8.3 94 98 A L H X S+ 0 0 0 -4,-0.5 4,-1.2 -3,-0.2 -2,-0.2 0.835 121.5 49.2 -80.9 -40.3 10.4 14.8 7.8 95 99 A W H X S+ 0 0 17 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.919 106.0 50.7 -70.5 -51.1 10.4 11.2 6.6 96 100 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.947 114.5 42.2 -55.2 -55.1 12.5 9.3 9.1 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.801 116.1 51.7 -66.6 -27.9 10.7 10.6 12.2 98 102 A L H X S+ 0 0 3 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.965 112.5 42.3 -70.8 -54.7 7.3 10.1 10.5 99 103 A V H X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 5,-0.2 0.892 117.8 48.2 -58.5 -41.6 7.9 6.5 9.4 100 104 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.3 3,-0.3 0.935 108.7 53.7 -63.7 -45.7 9.4 5.8 12.8 101 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 5,-0.3 0.823 99.3 66.7 -57.1 -33.5 6.5 7.4 14.6 102 106 A I H X S+ 0 0 0 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.934 115.2 22.7 -56.8 -54.3 4.1 5.2 12.6 103 107 A Y H X S+ 0 0 4 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.640 118.3 65.6 -87.9 -14.5 5.2 1.9 14.2 104 108 A Y H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.932 99.6 47.2 -75.6 -47.4 6.5 3.5 17.4 105 109 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.848 111.0 55.3 -61.7 -33.8 3.3 4.9 18.8 106 110 A Y H X S+ 0 0 3 -4,-0.5 4,-1.1 -5,-0.3 -1,-0.2 0.874 107.8 46.7 -67.8 -39.7 1.7 1.5 18.1 107 111 A I H X S+ 0 0 13 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.870 113.5 48.4 -69.8 -36.7 4.3 -0.3 20.2 108 112 A E H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.795 103.6 62.7 -69.5 -28.1 3.8 2.2 22.9 109 113 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.874 100.5 54.0 -59.4 -37.1 0.1 1.6 22.4 110 114 A W H X S+ 0 0 6 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.936 103.7 52.6 -62.0 -51.3 0.9 -2.0 23.5 111 115 A T H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.891 110.8 49.3 -54.0 -42.7 2.6 -0.9 26.8 112 116 A L H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.960 112.5 44.9 -62.4 -54.7 -0.5 1.1 27.6 113 117 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.841 115.0 49.2 -60.0 -35.9 -3.0 -1.6 27.0 114 118 A F H X S+ 0 0 0 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.949 110.0 50.0 -67.8 -50.6 -0.8 -4.2 28.8 115 119 A A H X S+ 0 0 4 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.860 112.5 50.4 -52.2 -38.8 -0.5 -1.8 31.8 116 120 A I H X S+ 0 0 68 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.963 115.5 38.8 -66.4 -54.2 -4.3 -1.4 31.7 117 121 A K H X>S+ 0 0 53 -4,-2.5 5,-3.1 1,-0.2 4,-0.7 0.860 115.3 55.1 -63.2 -36.4 -5.1 -5.2 31.6 118 122 A F H <5S+ 0 0 3 -4,-3.6 219,-0.3 3,-0.2 -1,-0.2 0.803 108.3 48.3 -70.2 -29.8 -2.2 -5.9 34.1 119 123 A L 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116.6 34.6 -10.4 25.5 230 235 A F S S+ 0 0 135 -2,-0.4 3,-0.4 1,-0.2 4,-0.1 0.590 78.7 66.0 -87.1 -9.0 37.6 -8.7 23.9 231 236 A E S > S+ 0 0 158 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.819 91.6 60.5 -78.6 -33.3 37.5 -11.2 21.0 232 237 A K G > S+ 0 0 78 1,-0.3 3,-2.0 -3,-0.2 6,-0.2 0.555 80.0 88.6 -72.3 -6.8 34.2 -9.9 19.8 233 238 A L G 3 S+ 0 0 39 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.704 86.2 54.3 -59.8 -18.7 35.9 -6.6 19.3 234 239 A K G < S+ 0 0 168 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.452 85.1 100.8 -94.6 -2.5 36.8 -7.9 15.9 235 240 A D X> - 0 0 48 -3,-2.0 4,-1.3 1,-0.2 3,-0.8 -0.777 55.7-162.7 -93.9 112.0 33.2 -8.7 15.0 236 241 A P H 3> S+ 0 0 59 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.866 86.6 64.9 -59.1 -43.4 31.6 -6.0 12.7 237 242 A G H 3> S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.830 102.5 50.5 -51.5 -35.7 28.0 -7.1 13.4 238 243 A V H <> S+ 0 0 1 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.967 110.9 46.2 -65.8 -54.4 28.6 -6.0 17.0 239 244 A W H X S+ 0 0 55 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.851 113.7 50.5 -55.9 -37.1 29.9 -2.6 16.0 240 245 A I H X S+ 0 0 14 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.888 111.4 48.4 -67.7 -38.7 27.0 -2.3 13.6 241 246 A A H X S+ 0 0 15 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.897 109.5 52.8 -66.5 -42.3 24.6 -3.3 16.4 242 247 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.913 110.5 44.9 -62.2 -47.3 26.1 -0.8 18.8 243 248 A V H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.817 107.7 59.2 -69.7 -31.0 25.9 2.3 16.5 244 249 A G H X S+ 0 0 7 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.856 110.9 43.2 -62.4 -34.8 22.3 1.2 15.6 245 250 A Q H X S+ 0 0 0 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.935 110.4 54.7 -72.8 -49.5 21.6 1.5 19.3 246 251 A I H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 6,-0.3 0.878 113.1 42.7 -51.2 -45.6 23.5 4.8 19.7 247 252 A F H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.6 0.979 117.7 44.0 -65.5 -56.5 21.5 6.5 16.9 248 253 A F H ><5S+ 0 0 11 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.860 112.7 53.6 -57.8 -39.0 18.1 5.1 18.0 249 254 A T H 3<5S+ 0 0 0 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.3 36.5 -67.5 -42.8 18.7 5.9 21.7 250 255 A L H 3<5S- 0 0 5 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.359 111.4-116.3 -91.8 5.0 19.6 9.5 21.3 251 256 A S T X<> + 0 0 0 -3,-0.6 3,-0.9 -4,-0.6 6,-0.6 0.881 53.3 174.9 60.2 39.8 17.1 10.0 18.5 252 257 A L T 3 < + 0 0 0 -5,-2.8 -1,-0.2 -6,-0.3 159,-0.1 -0.596 61.6 13.9 -81.1 136.3 19.9 10.8 16.1 253 258 A G T 3 5S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.1 -157,-0.1 0.489 97.3 107.2 79.0 2.7 19.0 11.3 12.4 254 259 A F T < 5S- 0 0 0 -3,-0.9 -2,-0.1 -7,-0.2 -154,-0.1 0.636 89.4-123.4 -80.9 -15.7 15.4 11.5 13.5 255 260 A G T >5S+ 0 0 2 -4,-0.2 4,-0.7 -159,-0.1 -3,-0.1 0.820 84.3 115.0 65.4 33.0 15.3 15.3 12.8 256 261 A A H >< + 0 0 0 -5,-0.6 4,-2.2 2,-0.2 5,-0.3 0.892 65.9 45.5 -97.4 -63.7 14.2 15.3 16.5 257 262 A I H > S+ 0 0 7 -6,-0.6 4,-2.7 1,-0.2 5,-0.2 0.885 113.5 58.1 -47.8 -41.2 17.0 17.1 18.4 258 263 A I H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.969 106.3 43.2 -50.8 -65.4 16.8 19.6 15.5 259 264 A T H < S+ 0 0 1 -4,-0.7 3,-0.4 1,-0.2 4,-0.3 0.885 117.4 45.5 -54.5 -47.6 13.2 20.6 15.9 260 265 A Y H >< S+ 0 0 1 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.950 111.4 52.0 -61.6 -50.1 13.3 20.8 19.7 261 266 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.3 -1,-0.2 0.664 94.7 71.8 -63.3 -17.8 16.5 22.8 19.7 262 267 A S T 3< S+ 0 0 1 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.640 91.5 59.2 -74.3 -12.5 15.0 25.3 17.3 263 268 A Y T < S+ 0 0 5 -3,-2.1 -259,-1.4 -4,-0.3 2,-0.4 0.369 83.8 105.2 -93.7 2.0 12.8 26.5 20.1 264 269 A V S < S- 0 0 2 -3,-1.4 -198,-0.1 -261,-0.2 -197,-0.1 -0.700 83.6-110.8 -77.2 130.7 16.0 27.3 22.0 265 270 A R > - 0 0 142 -2,-0.4 3,-1.3 -261,-0.2 -2,-0.1 -0.333 31.0-109.0 -63.0 146.8 16.7 31.1 22.1 266 271 A K T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -203,-0.1 -199,-0.1 0.814 115.6 44.4 -48.6 -44.2 19.7 32.1 20.0 267 272 A D T 3 S+ 0 0 92 2,-0.1 -1,-0.3 167,-0.0 -2,-0.0 0.740 88.7 112.6 -73.5 -25.3 22.0 32.9 22.9 268 273 A Q S < S- 0 0 27 -3,-1.3 2,-0.3 1,-0.1 167,-0.1 -0.189 73.9-105.0 -63.1 141.5 21.2 29.8 25.0 269 274 A D + 0 0 2 165,-0.4 4,-0.4 1,-0.2 166,-0.1 -0.452 37.0 169.7 -71.0 121.7 23.8 27.1 25.7 270 275 A I S > S+ 0 0 0 161,-0.5 4,-0.7 163,-0.4 5,-0.2 0.484 71.8 75.9 -95.9 -10.6 23.4 23.9 23.8 271 276 A V T 4 S+ 0 0 4 160,-0.2 -1,-0.1 166,-0.2 4,-0.1 0.601 109.4 21.6 -85.1 -12.6 26.9 22.7 24.9 272 277 A L T > S+ 0 0 52 3,-0.1 4,-3.2 2,-0.1 5,-0.2 0.708 123.7 48.7-114.3 -61.4 25.8 21.8 28.5 273 278 A S H > S+ 0 0 0 -4,-0.4 4,-1.9 1,-0.2 5,-0.2 0.821 113.8 54.3 -48.9 -33.9 22.0 21.2 28.4 274 279 A G H X S+ 0 0 0 -4,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.963 110.8 41.6 -65.4 -54.3 22.9 19.1 25.4 275 280 A L H > S+ 0 0 61 -5,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.870 114.5 54.1 -60.6 -38.9 25.4 16.9 27.2 276 281 A T H X S+ 0 0 53 -4,-3.2 4,-1.9 1,-0.2 5,-0.2 0.976 106.6 47.0 -62.4 -58.1 23.2 16.7 30.3 277 282 A A H X S+ 0 0 3 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.770 114.7 51.0 -57.1 -27.6 20.0 15.4 28.7 278 283 A A H X S+ 0 0 2 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.936 108.0 48.7 -73.4 -49.5 22.2 12.9 26.9 279 284 A T H X S+ 0 0 73 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.719 108.1 57.8 -65.1 -21.7 24.0 11.7 30.0 280 285 A L H X S+ 0 0 49 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.918 107.2 46.7 -69.1 -45.6 20.5 11.4 31.6 281 286 A N H X S+ 0 0 0 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.912 107.8 55.1 -61.5 -45.7 19.5 9.0 28.8 282 287 A E H X>S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 5,-0.8 0.827 108.4 50.7 -58.8 -31.2 22.7 7.0 29.1 283 288 A A H X>S+ 0 0 21 -4,-1.0 5,-2.6 1,-0.2 4,-1.2 0.953 108.9 49.5 -67.3 -50.3 21.7 6.6 32.8 284 289 A A H <>S+ 0 0 0 -4,-2.2 5,-1.7 3,-0.2 -2,-0.2 0.642 121.1 39.4 -62.2 -14.3 18.2 5.4 31.8 285 290 A E H <>S+ 0 0 0 -4,-1.1 5,-2.6 3,-0.2 6,-0.2 0.879 125.9 22.0-100.2 -71.3 19.9 3.0 29.4 286 291 A V H <5S+ 0 0 22 -4,-2.0 -3,-0.2 3,-0.2 -2,-0.1 0.777 134.9 34.5 -74.2 -27.6 23.0 1.3 30.8 287 292 A I T X4> S+ 0 0 0 -3,-1.0 4,-1.4 -4,-0.4 -2,-0.1 0.853 110.6 29.0-102.1 -73.6 16.1 -4.6 34.9 293 298 A S H X S+ 0 0 4 -4,-0.9 4,-1.5 1,-0.2 5,-0.2 0.883 121.2 46.1 -64.3 -47.2 15.0 -7.0 32.1 294 299 A I H > S+ 0 0 6 -4,-0.4 4,-2.9 -5,-0.3 3,-0.4 0.969 111.6 48.1 -62.8 -56.1 18.3 -8.9 31.6 295 300 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -74,-0.3 0.795 108.3 57.6 -58.3 -31.6 19.2 -9.7 35.2 296 301 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.933 113.1 38.0 -63.8 -47.1 15.7 -10.9 35.9 297 302 A A H X>S+ 0 0 1 -4,-1.5 4,-3.0 -3,-0.4 5,-0.6 0.880 114.0 53.9 -71.3 -41.1 16.0 -13.5 33.1 298 303 A V H <5S+ 0 0 1 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.814 110.5 50.9 -63.7 -28.6 19.6 -14.4 33.8 299 304 A A H <5S+ 0 0 0 -4,-1.5 -83,-0.3 -5,-0.3 -86,-0.3 0.948 120.0 32.0 -69.9 -52.2 18.4 -15.0 37.4 300 305 A F H <5S+ 0 0 37 -4,-2.0 -85,-0.3 1,-0.2 -2,-0.2 0.954 137.0 19.4 -72.3 -54.7 15.5 -17.3 36.4 301 306 A F T <5S- 0 0 35 -4,-3.0 4,-0.5 1,-0.2 -3,-0.2 0.435 104.6-121.4 -98.3 -0.9 16.8 -19.1 33.3 302 307 A G >< - 0 0 13 -5,-0.6 4,-1.5 -4,-0.5 -1,-0.2 -0.063 42.6 -66.3 71.3 173.1 20.5 -18.4 33.7 303 308 A V H >> S+ 0 0 54 -88,-0.2 4,-2.4 1,-0.2 3,-0.6 0.980 124.3 50.7 -58.9 -69.5 22.5 -16.6 31.0 304 309 A A H 3> S+ 0 0 74 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.727 112.3 47.8 -50.6 -35.3 22.5 -18.8 27.9 305 310 A N H 3> S+ 0 0 103 -4,-0.5 4,-1.0 2,-0.2 3,-0.3 0.928 110.9 49.9 -72.5 -45.3 18.8 -19.3 27.9 306 311 A A H XX S+ 0 0 8 -4,-1.5 4,-1.8 -3,-0.6 3,-1.0 0.918 108.8 53.2 -55.3 -46.6 18.0 -15.6 28.4 307 312 A V H 3X S+ 0 0 27 -4,-2.4 4,-0.9 1,-0.3 -1,-0.2 0.821 107.8 52.5 -58.2 -31.4 20.4 -14.8 25.5 308 313 A A H 3X S+ 0 0 62 -4,-0.9 4,-0.6 -5,-0.3 -1,-0.3 0.697 105.2 55.4 -78.3 -20.5 18.4 -17.3 23.5 309 314 A I H << S+ 0 0 20 -4,-1.0 4,-0.4 -3,-1.0 3,-0.2 0.894 105.8 48.7 -78.8 -42.5 15.1 -15.6 24.3 310 315 A A H >< S+ 0 0 0 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.781 109.6 53.5 -68.6 -28.1 16.1 -12.1 23.1 311 316 A K H 3< S+ 0 0 132 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.781 99.6 63.9 -73.3 -27.1 17.4 -13.7 19.8 312 317 A A T 3< S- 0 0 72 -4,-0.6 2,-0.3 -3,-0.2 -1,-0.2 0.615 124.2 -28.3 -74.7 -14.0 13.9 -15.3 19.4 313 318 A G < - 0 0 25 -3,-0.5 4,-0.4 -4,-0.4 -1,-0.2 -0.895 49.9-114.3 172.4 163.0 12.3 -11.9 19.1 314 319 A A S > S+ 0 0 54 -2,-0.3 4,-0.6 1,-0.2 3,-0.4 0.911 116.8 40.7 -76.3 -43.0 12.5 -8.2 20.1 315 320 A F H >>S+ 0 0 48 1,-0.2 4,-1.6 2,-0.1 5,-0.6 0.386 91.2 92.1 -90.5 2.3 9.3 -8.2 22.2 316 321 A N H >>S+ 0 0 17 -7,-0.2 5,-3.3 3,-0.2 4,-0.9 0.952 92.1 37.7 -57.4 -52.4 10.1 -11.6 23.8 317 322 A L H 4>S+ 0 0 7 -4,-0.4 5,-2.3 -3,-0.4 -1,-0.2 0.929 124.4 37.0 -70.7 -48.9 11.9 -10.1 26.8 318 323 A G H <5S+ 0 0 5 -4,-0.6 -2,-0.2 3,-0.2 -1,-0.1 0.953 127.6 27.3 -70.3 -54.0 9.8 -7.1 27.4 319 324 A F H <5S+ 0 0 1 -4,-1.6 -3,-0.2 3,-0.1 -1,-0.2 0.582 136.0 18.2 -91.1 -11.3 6.2 -8.2 26.7 320 325 A I T X S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.816 113.3 55.0 -62.4 -27.9 5.8 -10.3 33.0 324 329 A A H < S+ 0 0 0 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.929 107.8 47.1 -66.8 -48.2 6.1 -14.1 33.2 325 330 A I H >< S+ 0 0 3 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.937 109.8 55.0 -56.5 -48.5 9.0 -14.0 35.6 326 331 A F H >< S+ 0 0 1 -4,-2.5 3,-2.5 1,-0.3 -1,-0.2 0.855 95.5 65.7 -53.4 -40.1 7.1 -11.4 37.7 327 332 A S T 3< S+ 0 0 32 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.626 92.6 63.7 -64.0 -11.1 4.0 -13.7 38.0 328 333 A Q T < S+ 0 0 88 -3,-1.9 -1,-0.3 -4,-0.4 2,-0.3 0.396 99.0 69.8 -90.0 2.3 6.2 -16.1 40.0 329 334 A T S X S- 0 0 27 -3,-2.5 3,-1.2 -4,-0.1 4,-0.2 -0.788 99.3 -81.4-120.9 160.5 6.6 -13.5 42.8 330 335 A A T 3 S- 0 0 93 1,-0.3 -2,-0.1 -2,-0.3 5,-0.1 -0.423 115.5 -1.1 -62.6 126.5 4.4 -11.9 45.4 331 336 A G T 3> S+ 0 0 58 -2,-0.2 4,-1.2 -4,-0.1 -1,-0.3 0.927 86.3 147.7 56.5 48.9 2.3 -9.1 43.8 332 337 A G H <> + 0 0 4 -3,-1.2 4,-1.0 2,-0.2 -5,-0.2 0.730 62.4 61.2 -85.3 -25.5 3.9 -9.7 40.4 333 338 A T H > S+ 0 0 45 2,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.852 110.0 42.4 -68.4 -35.5 0.9 -8.8 38.4 334 339 A F H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.861 110.9 54.9 -75.2 -38.8 1.0 -5.3 39.9 335 340 A L H X S+ 0 0 8 -4,-1.2 4,-0.7 1,-0.2 -2,-0.2 0.718 106.6 54.4 -65.0 -20.9 4.8 -5.2 39.5 336 341 A G H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 3,-0.4 0.872 102.1 55.2 -76.1 -41.9 4.0 -6.0 35.9 337 342 A F H X S+ 0 0 35 -4,-1.3 4,-2.1 -219,-0.3 -2,-0.2 0.838 106.0 52.3 -58.3 -35.1 1.7 -2.9 35.7 338 343 A L H X S+ 0 0 17 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.789 106.8 55.0 -72.4 -27.5 4.6 -0.8 36.8 339 344 A W H X S+ 0 0 0 -4,-0.7 4,-1.8 -3,-0.4 -2,-0.2 0.957 115.5 35.1 -66.8 -53.6 6.7 -2.3 34.0 340 345 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.779 116.2 55.5 -74.8 -28.1 4.3 -1.4 31.3 341 346 A F H X S+ 0 0 63 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.883 107.9 50.2 -68.0 -38.5 3.4 1.9 33.0 342 347 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.920 111.9 48.5 -61.1 -44.2 7.1 2.7 33.0 343 348 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.895 108.7 51.5 -64.9 -44.0 7.2 1.9 29.3 344 349 A F H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.962 113.0 44.6 -59.5 -52.7 4.2 4.0 28.3 345 350 A F H X S+ 0 0 32 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.807 114.5 51.5 -59.3 -31.8 5.5 7.1 30.1 346 351 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.854 114.6 41.1 -74.8 -36.8 8.9 6.4 28.6 347 352 A G H X S+ 0 0 0 -4,-2.6 4,-3.1 -327,-0.3 -2,-0.2 0.727 107.8 62.5 -81.9 -23.4 7.6 6.1 25.1 348 353 A L H X S+ 0 0 2 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.851 104.8 45.7 -73.5 -35.4 5.2 9.0 25.5 349 354 A V H < S+ 0 0 3 -4,-1.1 4,-0.4 -5,-0.2 -1,-0.2 0.849 119.0 44.6 -70.2 -34.2 8.0 11.5 26.1 350 355 A A H X S+ 0 0 0 -4,-0.8 4,-1.4 2,-0.2 3,-0.3 0.860 111.3 51.0 -77.2 -39.2 9.8 9.9 23.1 351 356 A S H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -3,-0.2 0.850 105.2 54.7 -71.8 -35.9 6.8 9.8 20.8 352 357 A I H < S+ 0 0 2 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.730 106.9 55.6 -68.5 -21.4 5.8 13.4 21.2 353 358 A A H >4 S+ 0 0 0 -4,-0.4 3,-0.6 -3,-0.3 -2,-0.2 0.917 108.1 44.1 -73.6 -45.9 9.3 14.3 20.2 354 359 A I H 3< S+ 0 0 2 -4,-1.4 4,-0.3 1,-0.2 -253,-0.2 0.590 110.6 53.9 -83.2 -12.7 9.3 12.4 16.9 355 360 A M T 3X S+ 0 0 4 -4,-1.1 4,-1.1 1,-0.1 -1,-0.2 0.551 95.0 75.0 -91.0 -10.0 5.8 13.6 15.8 356 361 A Q H <> S+ 0 0 6 -3,-0.6 4,-4.0 -4,-0.3 5,-0.3 0.900 82.5 61.2 -68.6 -45.7 6.9 17.2 16.3 357 362 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.883 106.5 47.6 -52.0 -43.4 9.1 17.7 13.2 358 363 A M H > S+ 0 0 3 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.870 116.2 45.4 -64.4 -37.3 6.1 17.1 11.0 359 364 A I H X S+ 0 0 1 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.939 109.9 52.0 -69.9 -50.3 4.1 19.5 13.1 360 365 A A H X S+ 0 0 0 -4,-4.0 4,-2.9 1,-0.2 5,-0.3 0.809 110.0 53.1 -56.5 -31.0 6.8 22.2 13.2 361 366 A F H X>S+ 0 0 3 -4,-1.6 4,-2.5 -5,-0.3 5,-1.1 0.956 104.8 50.5 -69.3 -52.8 6.9 21.9 9.4 362 367 A L H <5S+ 0 0 9 -4,-1.9 6,-2.5 3,-0.2 -2,-0.2 0.800 120.9 40.0 -55.3 -27.7 3.2 22.4 8.8 363 368 A E H X5S+ 0 0 34 -4,-1.7 4,-1.0 4,-0.3 -2,-0.2 0.960 118.7 39.4 -83.1 -67.4 3.6 25.5 11.1 364 369 A D H <5S+ 0 0 15 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.763 134.0 20.7 -55.3 -30.2 7.0 27.1 10.1 365 370 A E T <5S+ 0 0 12 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.864 130.8 32.5-110.8 -62.2 6.4 26.4 6.4 366 371 A L T 4 - 0 0 57 -2,-0.3 4,-3.3 1,-0.1 3,-0.4 -0.379 33.6-118.0 -58.3 142.9 -2.3 26.6 13.2 370 375 A R H > S+ 0 0 97 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.891 116.6 57.3 -52.9 -41.7 -0.7 24.4 15.8 371 376 A K H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.915 113.5 39.5 -53.3 -45.6 -4.1 22.8 16.4 372 377 A H H > S+ 0 0 91 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.889 111.4 56.4 -73.0 -42.6 -4.3 21.9 12.7 373 378 A A H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.911 112.7 43.2 -55.2 -43.6 -0.6 20.9 12.4 374 379 A V H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.924 111.6 51.9 -70.2 -47.2 -1.1 18.4 15.2 375 380 A L H X S+ 0 0 75 -4,-1.9 4,-3.1 -5,-0.3 -2,-0.2 0.928 113.8 43.4 -58.3 -48.5 -4.4 16.9 14.0 376 381 A W H X S+ 0 0 158 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.896 112.3 53.2 -65.1 -41.0 -3.2 16.3 10.5 377 382 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.883 113.6 44.5 -59.9 -38.1 0.1 14.9 11.8 378 383 A A H X S+ 0 0 11 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.921 112.0 52.4 -68.9 -45.5 -2.0 12.6 14.0 379 384 A A H X S+ 0 0 44 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.909 111.8 45.6 -56.6 -47.0 -4.3 11.7 11.0 380 385 A I H X S+ 0 0 29 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.954 117.4 43.4 -62.3 -51.5 -1.4 10.8 8.8 381 386 A V H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.926 115.1 49.2 -60.4 -48.2 0.3 8.7 11.5 382 387 A F H < S+ 0 0 47 -4,-3.7 4,-0.5 2,-0.2 3,-0.2 0.958 117.1 40.3 -56.8 -55.0 -2.9 7.1 12.6 383 388 A F H >< S+ 0 0 132 -4,-2.5 3,-2.0 -5,-0.2 4,-0.3 0.952 113.5 52.2 -59.3 -54.3 -4.0 6.1 9.1 384 389 A S H >X S+ 0 0 2 -4,-2.8 3,-1.2 -5,-0.3 4,-0.5 0.775 100.8 64.6 -56.4 -28.5 -0.6 5.1 7.8 385 390 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.3 -1,-0.3 0.663 76.5 82.7 -73.9 -16.2 -0.1 2.7 10.8 386 391 A H H <> S+ 0 0 51 -3,-2.0 4,-2.4 -4,-0.5 -1,-0.3 0.796 90.6 56.7 -57.5 -24.3 -3.0 0.5 9.8 387 392 A L H <> S+ 0 0 42 -3,-1.2 4,-2.3 -4,-0.3 -1,-0.2 0.965 107.2 44.8 -66.4 -54.9 -0.3 -1.0 7.6 388 393 A V H < S+ 0 0 2 -4,-0.5 7,-0.3 1,-0.2 -2,-0.2 0.868 117.5 47.3 -54.7 -40.5 1.9 -1.8 10.6 389 394 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.955 122.0 29.5 -68.9 -52.1 -1.1 -3.1 12.5 390 395 A F H < S+ 0 0 86 -4,-2.4 -233,-1.5 -5,-0.2 2,-0.6 0.598 108.3 73.5 -91.4 -11.8 -2.7 -5.4 9.9 391 396 A L B >< S-A 156 0A 15 -4,-2.3 3,-1.5 -235,-0.2 4,-0.4 -0.908 80.9-122.7-113.8 120.9 0.4 -6.5 7.8 392 397 A N T 3 S- 0 0 47 -237,-2.1 -3,-0.1 -2,-0.6 -2,-0.1 -0.273 90.8 -0.8 -59.7 131.5 2.9 -8.9 9.2 393 398 A K T 3> S+ 0 0 123 -5,-0.1 4,-1.6 1,-0.1 -1,-0.3 0.430 90.8 119.1 70.6 -2.8 6.5 -7.7 9.4 394 399 A S H <> S+ 0 0 1 -3,-1.5 4,-1.7 -7,-0.2 5,-0.2 0.850 75.5 58.3 -56.0 -32.9 5.6 -4.3 7.9 395 400 A L H > S+ 0 0 24 -4,-0.4 4,-1.9 -7,-0.3 -1,-0.2 0.910 101.3 52.9 -62.4 -45.3 6.9 -3.1 11.3 396 401 A D H > S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.866 106.9 54.5 -56.5 -39.2 10.3 -4.7 10.6 397 402 A E H X S+ 0 0 15 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.949 108.7 44.3 -65.2 -51.7 10.5 -2.9 7.2 398 403 A M H X>S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.9 0.871 110.7 56.3 -61.8 -38.6 10.0 0.7 8.5 399 404 A D H <5S+ 0 0 40 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.875 110.7 45.1 -61.2 -38.1 12.4 0.1 11.4 400 405 A F H X>S+ 0 0 29 -4,-1.6 5,-3.6 -3,-0.2 4,-0.5 0.951 119.7 37.0 -71.0 -51.5 15.1 -0.9 8.9 401 406 A W H <>S+ 0 0 66 -4,-2.3 5,-2.7 3,-0.2 -2,-0.2 0.918 133.3 22.5 -70.6 -44.2 14.7 1.8 6.4 402 407 A A T <>S+ 0 0 0 -4,-2.6 5,-1.1 -5,-0.3 -3,-0.2 0.957 132.9 29.6 -88.0 -66.3 13.9 4.7 8.8 403 408 A G T 4>S+ 0 0 47 -4,-2.3 4,-2.2 2,-0.2 5,-1.9 0.970 111.0 50.6 -62.1 -56.4 28.7 16.7 5.9 417 422 A I H <>S+ 0 0 2 -4,-2.7 5,-2.2 3,-0.2 -1,-0.2 0.852 122.9 33.6 -51.7 -37.0 26.3 19.6 5.1 418 423 A F H <5S+ 0 0 0 -4,-1.0 -2,-0.2 -5,-0.2 9,-0.2 0.972 126.3 31.5 -84.9 -65.9 27.2 21.3 8.4 419 424 A F H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.558 133.5 24.1 -78.2 -9.8 30.9 20.6 9.2 420 425 A W T <5S+ 0 0 117 -4,-2.2 4,-0.2 -5,-0.4 -3,-0.2 0.728 128.5 30.4-116.5 -66.6 32.1 20.4 5.5 421 426 A I T - 0 0 22 -7,-0.3 4,-1.0 -5,-0.1 -3,-0.2 0.175 15.9 -99.1 98.5 145.4 32.4 24.8 6.6 424 429 A A H >> S+ 0 0 8 -4,-0.2 4,-2.7 1,-0.2 3,-0.9 0.981 111.3 39.9 -60.2 -67.8 34.1 23.6 9.8 425 430 A D H 3> S+ 0 0 106 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.794 108.5 59.1 -62.9 -34.0 34.8 26.7 11.9 426 431 A K H 3> S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.877 114.8 40.6 -61.4 -33.8 31.4 28.4 11.2 427 432 A A H < S+ 0 0 21 -4,-1.6 3,-2.2 -5,-0.2 -2,-0.2 0.677 91.4 115.1 -62.8 -19.3 30.2 26.6 21.4 433 438 A R T 3< S+ 0 0 57 -4,-2.5 -163,-0.4 1,-0.3 -162,-0.2 -0.306 90.2 3.6 -56.9 129.2 28.4 30.0 21.0 434 439 A G T 3 S+ 0 0 41 1,-0.3 -165,-0.4 -165,-0.1 -1,-0.3 0.358 96.6 154.9 76.3 -6.9 26.3 30.8 24.1 435 440 A G < - 0 0 21 -3,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.253 48.5-146.3 -57.1 132.4 27.7 27.7 25.7 436 441 A I S S+ 0 0 97 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.917 95.3 3.0 -61.1 -44.9 27.8 27.7 29.5 437 442 A I S S- 0 0 96 -3,-0.0 2,-0.3 0, 0.0 -166,-0.2 -0.805 90.6-111.1-127.9-178.4 30.9 25.7 28.8 438 443 A K - 0 0 163 -2,-0.3 3,-0.1 -3,-0.1 -5,-0.0 -0.728 23.9 -99.0-121.3 160.0 32.7 24.6 25.6 439 444 A V - 0 0 9 -2,-0.3 5,-0.1 -11,-0.2 -7,-0.1 -0.577 49.8-101.8 -74.7 132.5 33.4 21.6 23.5 440 445 A P > - 0 0 66 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.210 28.9-119.0 -51.9 143.1 36.9 20.0 24.0 441 446 A R T >> S+ 0 0 190 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.814 112.6 61.9 -58.5 -31.6 39.2 21.0 21.1 442 447 A I H >> S+ 0 0 113 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.834 92.7 64.5 -63.4 -32.8 39.6 17.3 20.3 443 448 A Y H <> S+ 0 0 35 -3,-1.3 4,-1.7 1,-0.3 -1,-0.3 0.637 91.1 64.8 -69.9 -13.3 35.9 17.0 19.5 444 449 A Y H <> S+ 0 0 23 -3,-1.3 4,-1.5 -4,-0.4 -1,-0.3 0.899 104.2 46.4 -68.1 -40.6 36.4 19.5 16.6 445 450 A Y H S+ 0 0 95 -3,-0.7 5,-1.3 -4,-0.7 4,-1.0 0.591 109.2 54.3 -81.9 -13.6 38.6 16.8 14.9 446 451 A V H <>S+ 0 0 10 -4,-0.7 5,-3.6 3,-0.2 -1,-0.2 0.909 109.4 47.2 -77.8 -48.1 36.1 14.1 15.6 447 452 A M H <5S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.822 116.9 44.1 -61.3 -36.0 33.2 16.0 13.9 448 453 A R H <5S- 0 0 74 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.855 137.9 -7.6 -78.9 -36.4 35.4 16.8 10.9 449 454 A Y T X5S+ 0 0 114 -4,-1.0 4,-2.4 -5,-0.1 5,-0.2 0.716 125.0 50.3-128.0 -64.1 37.0 13.4 10.4 450 455 A I H >> S+ 0 0 7 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.802 112.9 58.5 -67.9 -27.5 32.1 10.7 9.3 453 458 A A H 3X S+ 0 0 54 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.799 107.9 48.6 -66.7 -29.3 34.9 8.2 8.8 454 459 A F H S+ 0 0 24 -4,-2.1 4,-1.7 -5,-0.2 5,-1.7 0.965 113.1 40.8 -76.1 -64.2 26.8 -2.8 6.0 463 468 A A H <5S+ 0 0 46 -4,-1.6 -2,-0.2 3,-0.2 -3,-0.1 0.888 125.1 35.2 -51.5 -49.5 25.9 -2.5 2.3 464 469 A R H <5S+ 0 0 197 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.938 126.0 33.7 -76.6 -48.6 28.5 -4.9 1.1 465 470 A E H <5S+ 0 0 141 -4,-0.6 -2,-0.2 -5,-0.5 -1,-0.2 0.485 134.4 10.4 -91.8 -4.4 28.8 -7.6 3.8 466 471 A Y T ><5S+ 0 0 74 -4,-1.7 3,-1.2 3,-0.0 4,-0.4 0.617 101.9 68.4-131.7 -66.7 25.1 -7.6 4.8 467 472 A I T >> S+ 0 0 65 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.822 94.6 60.4 -55.9 -34.9 21.6 -7.6 -0.3 469 474 A K H X> S+ 0 0 117 -3,-1.2 4,-2.6 1,-0.2 3,-0.7 0.895 105.7 49.6 -52.9 -44.1 20.3 -10.7 1.4 470 475 A I H <> S+ 0 0 60 -3,-1.5 4,-0.9 -4,-0.4 -1,-0.2 0.955 110.2 48.5 -58.8 -52.6 17.6 -8.6 2.9 471 476 A M H 3< S+ 0 0 90 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.572 125.0 32.8 -64.9 -8.6 16.6 -7.1 -0.4 472 477 A E H << S+ 0 0 151 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.2 0.809 113.2 46.8-112.4 -65.1 16.6 -10.6 -1.9 473 478 A E H < S+ 0 0 165 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.603 88.7 114.5 -60.9 -14.4 15.5 -13.4 0.4 474 479 A T S < S- 0 0 51 -4,-0.9 2,-0.0 -5,-0.4 -4,-0.0 -0.123 73.0-103.3 -67.7 155.1 12.4 -11.4 1.6 475 480 A H > - 0 0 102 1,-0.1 3,-1.4 2,-0.0 4,-0.2 -0.298 35.4-111.1 -66.7 160.2 8.7 -12.2 1.1 476 481 A W T > S+ 0 0 174 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.525 107.1 79.4 -80.7 -3.3 6.9 -10.2 -1.5 477 482 A T T >> S+ 0 0 12 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.612 75.5 77.6 -76.9 -11.6 4.8 -8.4 1.1 478 483 A V H <> S+ 0 0 12 -3,-1.4 4,-2.3 1,-0.2 3,-0.4 0.819 83.0 64.4 -64.4 -31.1 7.8 -6.1 1.8 479 484 A W H <> S+ 0 0 142 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.653 92.4 63.5 -69.8 -15.9 7.1 -4.2 -1.4 480 485 A I H <> S+ 0 0 65 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.896 108.7 39.0 -73.0 -42.1 3.8 -3.0 0.1 481 486 A T H X S+ 0 0 1 -4,-0.7 4,-3.1 -3,-0.4 5,-0.3 0.944 118.1 48.8 -69.6 -51.0 5.5 -1.1 2.9 482 487 A R H X S+ 0 0 8 -4,-2.3 4,-1.4 2,-0.2 5,-0.2 0.907 110.8 51.8 -53.5 -47.8 8.3 0.1 0.5 483 488 A F H >X S+ 0 0 162 -4,-2.2 4,-2.2 -5,-0.2 3,-0.5 0.983 115.5 40.9 -51.2 -62.4 5.7 1.2 -2.0 484 489 A Y H 3X S+ 0 0 59 -4,-2.1 4,-1.1 1,-0.2 3,-0.3 0.950 114.5 47.5 -52.5 -62.8 3.8 3.2 0.7 485 490 A I H 3X S+ 0 0 4 -4,-3.1 4,-1.0 1,-0.3 -1,-0.2 0.665 111.3 54.2 -64.2 -15.7 6.7 4.8 2.6 486 491 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.6 0.911 109.5 54.2 -63.5 -43.7 6.5 15.1 1.7 493 498 A T H 3X S+ 0 0 43 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.825 104.3 56.2 -60.1 -32.2 8.6 16.3 -1.2 494 499 A F H 3X S+ 0 0 115 -4,-2.1 4,-2.6 2,-0.2 -1,-0.3 0.822 107.2 49.4 -69.4 -31.3 5.5 17.8 -2.8 495 500 A L H X S+ 0 0 71 -4,-1.9 4,-1.9 1,-0.2 3,-0.6 0.807 111.0 60.9 -77.4 -31.2 4.1 36.2 -1.0 507 512 A S H 3< S+ 0 0 69 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.788 104.2 52.7 -64.9 -26.5 7.7 37.4 -0.7 508 513 A A H 3< S+ 0 0 93 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.682 113.6 42.7 -79.8 -21.1 7.2 39.0 -4.1 509 514 A G H << 0 0 68 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.644 360.0 360.0 -95.1 -19.5 4.1 40.7 -2.8 510 515 A T < 0 0 148 -4,-1.9 -3,-0.2 0, 0.0 -2,-0.2 0.678 360.0 360.0-123.1 360.0 5.6 41.7 0.5 511 ! 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 0.0 512 601 A A 0 0 0 0, 0.0 -490,-1.5 0, 0.0 -491,-0.4 0.000 360.0 360.0 360.0 360.0 13.8 7.3 21.5