==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 31-OCT-08 3F48 . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR S.K.SINGH,C.L.PISCITELLI,A.YAMASHITA,E.GOUAUX . 510 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 81.2 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 . 5 1.0 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 . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 61.6 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 4 0 2 2 4 1 1 0 1 2 0 2 4 0 1 0 0 1 0 1 0 0 0 0 0 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 99 0, 0.0 262,-0.0 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 145.7 32.2 56.1 22.5 2 6 A E - 0 0 47 1,-0.0 2,-0.3 262,-0.0 179,-0.0 -0.272 360.0-168.6 -65.1 156.9 32.8 53.9 19.5 3 7 A H - 0 0 54 262,-0.0 261,-0.2 261,-0.0 2,-0.2 -0.983 31.3 -95.1-146.1 152.5 30.0 53.4 17.0 4 8 A W - 0 0 7 259,-1.4 261,-0.2 -2,-0.3 179,-0.1 -0.500 32.4-144.3 -67.1 137.6 29.3 51.0 14.1 5 9 A A S S+ 0 0 77 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.955 73.7 21.8 -70.5 -51.9 30.3 52.8 10.9 6 10 A T > - 0 0 57 1,-0.1 4,-2.3 177,-0.1 5,-0.1 -0.812 67.8-125.4-121.8 160.9 27.6 51.5 8.6 7 11 A R H > S+ 0 0 80 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.906 115.4 48.3 -64.5 -44.3 24.1 50.0 8.9 8 12 A L H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 110.4 51.6 -63.0 -45.2 25.2 47.0 6.8 9 13 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 109.6 50.1 -57.5 -45.0 28.3 46.6 9.0 10 14 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.933 112.3 47.2 -58.1 -48.9 26.2 46.6 12.1 11 15 A I H X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.873 113.4 46.7 -62.8 -41.1 23.8 44.0 10.7 12 16 A L H X S+ 0 0 29 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.827 112.3 50.3 -72.7 -31.6 26.6 41.7 9.5 13 17 A A H X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.930 113.5 44.8 -70.7 -44.5 28.5 42.0 12.9 14 18 A M H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.885 113.1 52.1 -64.3 -37.8 25.3 41.2 14.8 15 19 A A H X S+ 0 0 2 -4,-2.0 4,-3.4 1,-0.2 -1,-0.2 0.879 110.0 48.2 -64.9 -38.3 24.7 38.4 12.3 16 20 A G H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.795 105.8 58.4 -71.2 -30.4 28.2 37.1 13.0 17 21 A N H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.958 118.1 32.3 -60.6 -50.2 27.6 37.3 16.7 18 22 A A H < S+ 0 0 2 -4,-2.1 2,-0.9 494,-0.1 -2,-0.2 0.935 103.8 74.8 -75.6 -50.2 24.7 34.9 16.2 19 23 A V S < S+ 0 0 4 -4,-3.4 2,-0.2 493,-0.2 330,-0.1 -0.531 73.9 107.4 -71.3 105.3 25.7 32.7 13.4 20 24 A G S >> S- 0 0 0 -2,-0.9 3,-1.5 229,-0.1 4,-1.2 -0.621 84.5 -39.4-150.3-151.7 28.3 30.3 14.9 21 25 A L H 3>>S+ 0 0 9 491,-0.4 4,-2.8 1,-0.3 5,-1.6 0.776 124.0 68.5 -58.0 -26.4 29.1 26.8 16.0 22 26 A G H 34>S+ 0 0 0 490,-2.7 5,-2.6 3,-0.2 -1,-0.3 0.857 101.1 47.0 -61.9 -33.6 25.5 26.7 17.4 23 27 A N H <45S+ 0 0 0 -3,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.878 123.8 28.3 -74.2 -42.5 24.1 26.7 13.9 24 28 A F H <5S+ 0 0 1 -4,-1.2 -2,-0.2 3,-0.1 269,-0.2 0.683 135.5 21.3 -97.6 -21.2 26.4 24.1 12.4 25 29 A L T X5S+ 0 0 15 -4,-2.8 4,-1.0 -5,-0.2 -3,-0.2 0.773 125.9 39.5-112.1 -49.7 27.2 21.8 15.3 26 30 A R H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.910 113.9 44.9 -55.2 -42.9 21.8 19.4 14.0 29 33 A V H X S+ 0 0 5 -4,-1.0 4,-2.7 2,-0.2 5,-0.2 0.933 114.2 48.4 -66.4 -47.2 22.4 17.3 17.2 30 34 A Q H X S+ 0 0 33 -4,-2.6 4,-1.6 1,-0.2 6,-0.2 0.939 115.7 43.9 -58.2 -49.9 19.5 19.0 19.1 31 35 A A H <>S+ 0 0 2 -4,-3.0 5,-2.8 -5,-0.2 8,-0.2 0.892 115.1 48.9 -63.8 -41.4 17.1 18.5 16.2 32 36 A A H ><5S+ 0 0 2 -4,-2.3 3,-0.9 -5,-0.3 -2,-0.2 0.898 111.0 48.8 -66.7 -42.9 18.2 14.9 15.6 33 37 A E H 3<5S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.825 110.5 52.9 -66.2 -33.4 18.0 13.8 19.2 34 38 A N T 3<5S- 0 0 31 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.136 128.9 -83.7 -99.0 37.9 14.5 15.2 19.6 35 39 A G T X 5 - 0 0 36 -3,-0.9 3,-2.1 3,-0.2 2,-0.5 0.689 51.0-119.6 74.9 20.8 12.8 13.6 16.6 36 40 A G T >> S+ 0 0 2 187,-2.1 4,-0.8 -2,-0.5 192,-0.3 0.799 115.8 60.6 -54.5 -31.0 10.4 17.2 12.7 38 42 A A H <4 S+ 0 0 2 -3,-2.1 -1,-0.3 190,-0.2 -2,-0.2 0.698 103.5 51.5 -70.2 -20.0 9.1 16.9 16.2 39 43 A F H <> S+ 0 0 0 -3,-2.0 4,-1.9 -8,-0.2 -1,-0.2 0.822 98.3 66.6 -84.1 -34.8 11.7 19.4 17.4 40 44 A M H X S+ 0 0 7 -4,-1.3 4,-2.5 185,-0.3 5,-0.2 0.767 92.4 57.3 -61.4 -32.6 10.9 22.0 14.8 41 45 A I H X S+ 0 0 38 -4,-0.8 4,-2.4 2,-0.2 5,-0.2 0.983 112.6 39.6 -65.2 -55.7 7.4 22.9 16.0 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.872 115.5 56.1 -59.5 -34.4 8.5 23.9 19.5 43 47 A Y H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.914 108.1 45.3 -62.7 -47.0 11.6 25.5 17.9 44 48 A I H X S+ 0 0 79 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.927 115.0 48.1 -63.5 -45.7 9.5 27.8 15.6 45 49 A I H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.904 110.1 52.2 -61.7 -43.2 7.2 28.7 18.5 46 50 A A H X>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 4,-2.1 0.875 107.2 53.7 -61.5 -37.5 10.2 29.5 20.8 47 51 A F H <>S+ 0 0 29 -4,-1.9 5,-3.0 3,-0.2 -1,-0.2 0.925 113.9 41.5 -63.1 -43.4 11.6 31.7 18.1 48 52 A L H <5S+ 0 0 80 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.875 124.5 33.9 -72.3 -40.9 8.4 33.8 17.9 49 53 A L H <5S+ 0 0 51 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.621 139.1 10.4 -92.4 -14.8 7.6 34.0 21.6 50 54 A V T X5S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.655 121.7 51.9-126.8 -57.9 11.1 34.1 23.0 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.929 114.5 46.7 -57.0 -47.7 11.1 39.6 21.7 54 58 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.883 108.3 58.0 -63.1 -34.9 14.2 39.1 23.8 55 59 A M H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.951 108.7 44.5 -59.1 -49.0 16.3 40.1 20.8 56 60 A W H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.922 112.6 53.2 -61.3 -42.3 14.6 43.5 20.6 57 61 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.908 110.5 45.8 -59.7 -44.6 14.8 43.9 24.4 58 62 A E H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.908 112.1 50.3 -68.2 -40.4 18.5 43.3 24.4 59 63 A W H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.928 112.9 48.7 -60.4 -43.7 19.2 45.7 21.5 60 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.926 111.2 48.1 -62.2 -46.9 17.1 48.3 23.3 61 65 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 113.7 48.5 -61.4 -42.4 18.9 47.8 26.6 62 66 A G H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.935 112.5 45.3 -64.4 -49.3 22.3 48.0 24.9 63 67 A R H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.921 113.9 52.2 -60.5 -42.3 21.5 51.2 22.9 64 68 A Y H < S+ 0 0 48 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.908 113.5 42.1 -59.7 -46.7 20.0 52.7 26.0 65 69 A G H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-1.5 0.904 109.4 58.3 -69.3 -40.7 23.1 52.0 28.1 66 70 A G H ><5S+ 0 0 9 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.852 95.8 63.3 -57.0 -36.8 25.5 53.0 25.3 67 71 A A T 3<5S+ 0 0 58 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.764 108.8 42.7 -60.2 -24.8 24.0 56.5 25.2 68 72 A Q T < 5S- 0 0 92 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.263 127.4 -97.9-105.1 10.7 25.2 56.9 28.8 69 73 A G T < 5S+ 0 0 29 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.723 87.6 115.9 82.7 22.8 28.6 55.3 28.2 70 74 A H < + 0 0 45 -5,-2.4 -2,-0.2 -8,-0.1 -1,-0.2 -0.982 28.9 167.5-130.4 125.8 27.8 51.8 29.5 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.2 191,-0.2 0.487 57.6 70.3-113.3 -4.4 27.7 48.6 27.5 72 76 A T S >> S- 0 0 1 288,-0.2 4,-2.2 -7,-0.1 3,-0.8 -0.851 80.7-114.1-118.8 156.1 27.5 45.9 30.1 73 77 A T H 3> S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.4 0.686 103.4 68.3 -58.0 -29.4 24.8 44.7 32.4 74 78 A P H 3> S+ 0 0 4 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.954 117.0 28.7 -58.2 -42.4 26.3 45.5 35.8 75 79 A A H <> S+ 0 0 15 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.902 121.3 51.7 -80.6 -45.5 25.9 49.2 34.9 76 80 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.895 108.0 51.8 -61.6 -41.2 22.9 49.0 32.6 77 81 A F H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.869 109.8 51.5 -62.4 -35.0 20.8 47.0 35.1 78 82 A Y H < S+ 0 0 53 -4,-0.7 -1,-0.2 -5,-0.4 -2,-0.2 0.828 106.6 52.6 -70.7 -33.0 21.6 49.7 37.7 79 83 A L H < S+ 0 0 20 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.846 115.2 42.0 -69.5 -34.2 20.4 52.4 35.3 80 84 A L H < S+ 0 0 10 -4,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.704 132.2 21.5 -84.2 -23.0 17.2 50.5 34.8 81 85 A W S < S- 0 0 68 -4,-1.5 2,-2.5 -5,-0.2 -1,-0.3 -0.779 72.2-147.6-151.5 98.5 16.8 49.7 38.5 82 86 A R + 0 0 146 -2,-0.3 2,-0.3 -3,-0.3 -4,-0.1 -0.410 59.6 116.1 -68.9 75.1 18.7 51.8 41.1 83 87 A N S >> S- 0 0 66 -2,-2.5 3,-2.1 -6,-0.1 4,-0.8 -0.993 71.5-128.0-146.8 135.6 19.3 48.9 43.5 84 88 A R H >> S+ 0 0 118 -2,-0.3 4,-1.4 1,-0.3 3,-0.7 0.840 110.8 61.1 -51.4 -36.1 22.5 47.3 44.7 85 89 A F H 3> S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.767 93.7 64.5 -64.9 -24.3 21.1 43.9 43.8 86 90 A A H <> S+ 0 0 0 -3,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.891 101.0 50.0 -65.4 -38.7 20.8 45.1 40.2 87 91 A K H < S+ 0 0 72 -4,-1.4 3,-1.3 2,-0.2 4,-0.4 0.938 112.4 46.8 -67.5 -47.3 25.1 41.9 41.4 89 93 A L H >< S+ 0 0 24 -4,-2.7 3,-1.4 1,-0.3 4,-0.3 0.862 106.4 62.3 -61.7 -33.4 22.5 40.3 39.0 90 94 A G H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.3 -1,-0.3 0.718 83.7 77.3 -64.2 -22.1 24.3 42.2 36.3 91 95 A V T XX S+ 0 0 1 -3,-1.3 4,-2.8 -4,-0.6 3,-2.3 0.827 81.8 67.2 -58.7 -30.9 27.5 40.3 37.0 92 96 A F H <> S+ 0 0 48 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.3 0.775 88.9 66.6 -61.2 -23.1 25.9 37.4 35.1 93 97 A G H <4 S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.536 112.7 31.1 -74.9 -7.2 26.2 39.5 32.0 94 98 A L H <> S+ 0 0 1 -3,-2.3 4,-1.7 -4,-0.2 -2,-0.2 0.647 120.1 52.3-112.9 -40.0 30.0 39.3 32.3 95 99 A W H X S+ 0 0 21 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.927 106.4 51.2 -65.3 -49.6 30.2 35.9 33.8 96 100 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.955 113.8 42.5 -57.6 -52.9 28.1 34.0 31.3 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.869 114.7 51.8 -64.0 -33.5 30.0 35.2 28.2 98 102 A L H X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.938 112.3 45.2 -66.7 -45.7 33.4 34.8 29.9 99 103 A V H X S+ 0 0 0 -4,-2.9 4,-0.8 2,-0.2 5,-0.2 0.917 113.6 48.9 -65.2 -42.4 32.6 31.2 30.9 100 104 A V H >X S+ 0 0 0 -4,-2.6 4,-3.3 -5,-0.3 3,-1.0 0.922 109.6 53.4 -63.1 -40.7 31.2 30.3 27.4 101 105 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.4 0.888 97.8 66.2 -59.7 -39.9 34.3 31.9 25.9 102 106 A I H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.787 119.3 20.4 -55.3 -31.2 36.5 29.7 28.0 103 107 A Y H S+ 0 0 4 -5,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.956 110.2 45.0 -67.9 -46.8 38.9 26.0 22.5 107 111 A I H X S+ 0 0 12 -4,-2.2 4,-1.4 1,-0.2 3,-0.3 0.908 111.5 55.3 -61.5 -38.5 36.3 24.2 20.3 108 112 A E H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.900 103.4 54.7 -59.2 -40.4 36.8 26.9 17.7 109 113 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.841 100.8 59.6 -65.0 -30.3 40.6 26.2 17.8 110 114 A W H X S+ 0 0 9 -4,-1.5 4,-3.0 -3,-0.3 5,-0.2 0.907 102.8 52.2 -63.1 -41.2 39.8 22.5 17.0 111 115 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.2 -1,-0.2 0.879 110.3 47.8 -64.4 -36.4 38.1 23.6 13.7 112 116 A L H X S+ 0 0 21 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.938 113.1 48.7 -68.0 -43.8 41.2 25.7 12.8 113 117 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.909 114.0 45.0 -61.1 -44.1 43.4 22.7 13.6 114 118 A F H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.904 110.7 54.4 -66.4 -41.2 41.3 20.3 11.6 115 119 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.947 110.2 47.4 -57.4 -48.4 41.1 22.7 8.7 116 120 A I H X S+ 0 0 65 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.948 114.6 44.9 -57.7 -51.5 44.9 23.0 8.6 117 121 A K H X>S+ 0 0 55 -4,-2.4 5,-2.2 1,-0.2 4,-0.8 0.865 114.2 48.4 -64.1 -37.2 45.4 19.2 8.7 118 122 A F H <5S+ 0 0 6 -4,-3.0 3,-0.2 3,-0.2 -1,-0.2 0.887 109.6 54.5 -70.4 -35.5 42.7 18.5 6.1 119 123 A L H <5S+ 0 0 97 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.927 113.9 39.0 -62.4 -45.7 44.1 21.1 3.9 120 124 A V H <5S- 0 0 99 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.583 115.4-114.8 -81.6 -8.0 47.6 19.6 3.9 121 125 A G T <5 + 0 0 41 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-4,-0.6 6,-0.7 0.786 56.0 162.5 63.3 28.7 23.4 34.7 21.6 252 257 A L T 3 < + 0 0 0 -5,-2.2 -1,-0.2 -6,-0.3 159,-0.2 -0.604 58.7 19.0 -83.7 139.0 20.5 35.7 24.0 253 258 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.2 157,-0.2 0.591 97.7 101.1 80.7 10.0 21.2 35.9 27.7 254 259 A F S < S- 0 0 0 -3,-0.9 -2,-0.1 -7,-0.1 -154,-0.1 0.518 88.1-127.1 -98.9 -14.2 25.0 36.2 26.9 255 260 A G S > S+ 0 0 1 -4,-0.2 4,-1.6 -159,-0.1 -182,-0.1 0.465 86.1 107.3 78.1 -0.4 25.1 39.9 27.4 256 261 A A H > S+ 0 0 0 -5,-0.4 4,-2.2 2,-0.2 5,-0.2 0.869 73.0 47.8 -78.2 -42.3 26.7 39.9 24.0 257 262 A I H > S+ 0 0 1 -6,-0.7 4,-2.4 2,-0.2 5,-0.2 0.909 112.6 52.8 -65.0 -39.6 23.8 41.4 21.9 258 263 A I H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.929 109.7 46.9 -61.0 -46.2 23.5 44.0 24.6 259 264 A T H < S+ 0 0 2 -4,-1.6 3,-0.4 2,-0.2 -1,-0.2 0.906 112.6 48.4 -65.7 -41.2 27.2 45.0 24.4 260 265 A Y H >< S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.914 110.8 52.1 -64.0 -40.6 27.2 45.2 20.6 261 266 A A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.706 92.1 75.0 -68.3 -19.3 24.0 47.3 20.6 262 267 A S T 3< S+ 0 0 2 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.597 93.0 55.6 -69.3 -8.1 25.7 49.6 23.1 263 268 A Y T < S+ 0 0 4 -3,-1.6 -259,-1.4 -4,-0.2 2,-0.4 0.330 82.9 104.6-104.1 4.1 27.6 50.9 20.1 264 269 A V S < S- 0 0 4 -3,-1.9 -198,-0.1 -261,-0.2 -197,-0.1 -0.699 84.7-102.6 -84.3 135.5 24.5 51.7 18.1 265 270 A R > - 0 0 127 -2,-0.4 3,-0.8 -261,-0.2 -1,-0.1 -0.267 30.0-112.0 -60.0 145.6 23.8 55.4 17.9 266 271 A K T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -4,-0.1 -199,-0.1 0.789 116.4 39.4 -46.7 -38.9 21.1 56.7 20.2 267 272 A D T 3 S+ 0 0 106 2,-0.1 -1,-0.3 167,-0.0 -2,-0.1 0.700 91.2 113.7 -87.6 -21.8 18.7 57.6 17.4 268 273 A Q S < S- 0 0 35 -3,-0.8 167,-0.1 1,-0.1 -4,-0.1 -0.189 73.2-104.1 -58.1 139.5 19.5 54.6 15.2 269 274 A D + 0 0 6 165,-0.2 166,-0.2 1,-0.1 -1,-0.1 -0.258 38.2 169.0 -62.1 145.6 16.8 51.9 14.5 270 275 A I > + 0 0 0 161,-0.3 4,-1.8 163,-0.2 5,-0.3 0.402 66.4 73.8-133.0 -13.4 17.0 48.6 16.3 271 276 A V H > S+ 0 0 0 160,-0.2 4,-1.8 166,-0.2 5,-0.1 0.976 109.5 28.1 -68.3 -54.7 13.6 47.2 15.5 272 277 A L H > S+ 0 0 51 2,-0.2 4,-2.3 165,-0.2 5,-0.2 0.893 123.3 51.4 -73.8 -40.7 14.3 46.3 11.8 273 278 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 112.0 46.6 -61.6 -46.6 18.0 45.8 12.4 274 279 A G H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.923 113.2 48.5 -62.3 -45.4 17.4 43.4 15.3 275 280 A L H X S+ 0 0 52 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.869 111.1 51.2 -63.0 -37.7 14.8 41.5 13.4 276 281 A T H X S+ 0 0 50 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.919 109.6 48.6 -67.4 -44.2 17.1 41.2 10.3 277 282 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.936 114.0 47.9 -60.2 -45.9 20.0 39.9 12.4 278 283 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.906 112.5 47.2 -61.7 -45.4 17.7 37.3 14.0 279 284 A T H X S+ 0 0 50 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.876 109.0 55.1 -65.8 -38.4 16.1 36.2 10.7 280 285 A L H X S+ 0 0 62 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.911 108.6 48.7 -60.7 -41.9 19.6 35.9 9.1 281 286 A N H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.935 109.6 51.4 -63.8 -46.2 20.6 33.6 11.9 282 287 A E H X>S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 5,-0.5 0.861 110.1 49.5 -60.1 -36.7 17.5 31.4 11.6 283 288 A K H X>S+ 0 0 116 -4,-2.1 4,-1.9 1,-0.2 5,-1.4 0.951 111.7 47.9 -66.6 -48.4 18.1 31.0 7.8 284 289 A A H <>S+ 0 0 10 -4,-2.3 5,-3.2 3,-0.2 -2,-0.2 0.848 117.8 45.2 -60.3 -33.0 21.7 30.0 8.4 285 290 A E H <>S+ 0 0 0 -4,-2.3 5,-1.9 3,-0.2 -2,-0.2 0.980 123.2 26.3 -77.1 -60.2 20.5 27.6 11.0 286 291 A V H <5S+ 0 0 20 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.868 132.0 35.3 -75.8 -36.0 17.5 25.8 9.6 287 292 A I T <> S+ 0 0 6 -5,-0.4 4,-3.0 -4,-0.2 5,-0.3 0.941 114.7 45.9 -60.1 -51.1 21.8 15.5 9.0 295 300 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.881 114.1 49.8 -61.5 -36.7 21.2 14.9 5.3 296 301 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 5,-0.2 0.945 114.3 44.5 -66.1 -46.2 24.7 13.6 4.8 297 302 A A H X>S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.5 0.913 115.8 46.3 -63.9 -45.8 24.4 11.3 7.8 298 303 A V H X5S+ 0 0 2 -4,-3.0 4,-2.8 3,-0.2 -2,-0.2 0.937 108.8 55.9 -64.0 -45.3 21.0 10.0 6.9 299 304 A A H <5S+ 0 0 0 -4,-2.5 -86,-0.4 -5,-0.3 -84,-0.3 0.900 119.0 32.1 -53.6 -45.0 22.0 9.5 3.2 300 305 A F H <5S+ 0 0 43 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.821 137.3 20.0 -83.9 -34.0 24.9 7.2 4.2 301 306 A F H <5S- 0 0 36 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.627 100.8-119.8-112.5 -17.7 23.5 5.6 7.3 302 307 A G X< - 0 0 15 -4,-2.8 4,-1.9 -5,-0.5 -1,-0.1 -0.135 40.3 -72.1 93.0 163.9 19.8 5.9 7.2 303 308 A V H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.951 126.6 53.0 -59.9 -55.7 17.6 7.8 9.8 304 309 A A H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 115.4 40.6 -48.1 -50.4 17.9 5.3 12.7 305 310 A N H > S+ 0 0 98 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.862 112.4 56.1 -69.3 -36.0 21.7 5.2 12.6 306 311 A A H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.935 108.7 46.9 -61.5 -46.7 21.9 8.9 12.0 307 312 A V H X S+ 0 0 29 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.906 110.7 52.6 -61.5 -42.3 19.9 9.6 15.2 308 313 A A H X S+ 0 0 56 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.908 108.1 51.4 -60.0 -42.3 22.0 7.2 17.1 309 314 A I H X S+ 0 0 23 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.900 107.8 52.2 -62.0 -41.2 25.1 8.9 16.0 310 315 A A H >< S+ 0 0 1 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.878 110.3 47.8 -63.2 -38.3 23.7 12.3 17.1 311 316 A K H 3< S+ 0 0 120 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.753 95.6 77.0 -73.2 -24.5 23.0 10.9 20.6 312 317 A A H 3< S- 0 0 66 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.2 0.834 115.4 -39.5 -54.5 -38.5 26.5 9.4 20.8 313 318 A G << - 0 0 26 -4,-0.7 4,-0.3 -3,-0.5 -1,-0.1 -0.968 51.1-103.4-173.4 179.5 28.0 12.8 21.5 314 319 A A S S+ 0 0 60 -2,-0.3 4,-0.3 2,-0.1 -285,-0.1 0.685 119.9 36.0 -92.9 -20.2 27.9 16.5 20.7 315 320 A F S >>S+ 0 0 48 2,-0.1 4,-2.5 1,-0.1 5,-0.6 0.496 92.3 90.1-108.3 -9.4 31.0 16.4 18.5 316 321 A N H >>S+ 0 0 28 1,-0.2 5,-2.9 3,-0.2 4,-1.3 0.912 90.4 44.3 -54.1 -49.6 30.5 13.0 16.9 317 322 A L H 4>S+ 0 0 5 -4,-0.3 5,-2.4 3,-0.2 -1,-0.2 0.914 121.2 34.8 -65.6 -47.4 28.6 14.3 13.9 318 323 A G H 45S+ 0 0 2 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.784 127.8 31.4 -83.0 -27.8 30.7 17.3 13.0 319 324 A F H <5S+ 0 0 1 -4,-2.5 -3,-0.2 3,-0.1 -2,-0.2 0.615 134.5 17.3-105.7 -15.6 34.2 16.1 13.8 320 325 A I T X S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.901 112.8 52.9 -63.3 -33.9 34.6 14.0 7.5 324 329 A A H < S+ 0 0 2 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.925 110.7 46.8 -63.0 -44.9 34.3 10.2 7.4 325 330 A I H >< S+ 0 0 4 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.939 111.8 50.9 -61.7 -46.9 31.4 10.5 5.0 326 331 A F H >< S+ 0 0 2 -4,-2.9 3,-2.2 1,-0.3 -1,-0.2 0.854 98.4 66.9 -59.3 -36.0 33.3 13.0 2.9 327 332 A S T 3< S+ 0 0 31 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.652 91.4 63.8 -61.0 -16.1 36.3 10.8 2.7 328 333 A Q T < S+ 0 0 88 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.360 97.1 70.3 -89.9 4.5 34.3 8.3 0.6 329 334 A T S X S- 0 0 32 -3,-2.2 3,-2.1 -4,-0.1 4,-0.2 -0.897 95.8 -92.3-122.9 152.8 33.9 10.9 -2.2 330 335 A A T 3 S+ 0 0 98 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 -0.396 116.4 14.1 -61.7 132.2 36.4 12.3 -4.7 331 336 A G T 3> S+ 0 0 56 -2,-0.1 4,-1.8 -4,-0.1 3,-0.3 0.622 88.5 140.4 75.2 13.0 37.9 15.5 -3.4 332 337 A G H <> + 0 0 4 -3,-2.1 4,-1.6 1,-0.2 -5,-0.2 0.759 62.3 55.9 -60.0 -31.2 36.5 14.5 0.0 333 338 A T H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 109.6 46.4 -70.1 -39.8 39.5 15.7 2.0 334 339 A F H > S+ 0 0 115 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.853 109.2 54.7 -69.9 -34.8 39.3 19.1 0.5 335 340 A L H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.879 106.7 52.6 -64.9 -35.1 35.5 19.1 1.2 336 341 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.908 107.2 51.9 -64.7 -41.5 36.5 18.3 4.8 337 342 A F H X S+ 0 0 31 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.915 108.4 50.3 -60.3 -44.0 38.8 21.3 4.8 338 343 A L H X S+ 0 0 19 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.861 109.6 52.0 -63.7 -36.0 36.0 23.6 3.6 339 344 A W H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.944 113.3 42.5 -64.8 -50.4 33.7 22.3 6.3 340 345 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.852 112.9 53.0 -68.6 -30.8 36.2 23.0 9.1 341 346 A F H X S+ 0 0 59 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.895 109.5 50.2 -68.5 -39.1 37.1 26.4 7.5 342 347 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.952 111.3 47.8 -60.8 -50.2 33.4 27.2 7.6 343 348 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.893 109.7 54.5 -58.6 -41.0 33.1 26.2 11.2 344 349 A F H X S+ 0 0 9 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.943 110.5 43.0 -60.9 -49.6 36.2 28.3 12.1 345 350 A F H X S+ 0 0 28 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 114.4 51.8 -64.2 -37.1 34.8 31.5 10.6 346 351 A A H X S+ 0 0 0 -4,-2.4 4,-0.8 -5,-0.2 -2,-0.2 0.940 114.9 43.1 -63.7 -44.8 31.4 30.8 12.1 347 352 A G H >X S+ 0 0 0 -4,-3.0 4,-2.9 -327,-0.2 3,-0.7 0.941 111.8 52.8 -65.9 -47.2 33.1 30.3 15.5 348 353 A L H 3X S+ 0 0 2 -4,-3.3 4,-2.0 1,-0.3 5,-0.2 0.900 106.0 52.0 -56.7 -46.4 35.5 33.3 15.2 349 354 A T H 3< S+ 0 0 3 -4,-2.1 4,-0.5 1,-0.2 -1,-0.3 0.782 116.4 43.5 -63.7 -23.5 32.8 35.8 14.4 350 355 A S H S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.936 105.4 44.2 -60.3 -44.6 31.4 42.3 27.0 358 363 A M H > S+ 0 0 6 -3,-0.4 4,-2.3 -4,-0.3 -2,-0.2 0.893 115.0 49.9 -65.2 -39.0 34.5 41.8 29.3 359 364 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.936 110.9 49.1 -64.3 -45.1 36.4 44.2 27.1 360 365 A A H X S+ 0 0 0 -4,-3.4 4,-3.4 1,-0.2 5,-0.4 0.873 110.4 51.3 -62.6 -38.6 33.6 46.8 27.3 361 366 A F H X>S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 5,-1.0 0.943 110.7 47.2 -65.0 -47.5 33.4 46.5 31.1 362 367 A L H <5S+ 0 0 9 -4,-2.3 6,-2.7 3,-0.2 4,-0.4 0.867 119.8 40.6 -62.6 -36.0 37.1 47.1 31.5 363 368 A E H <5S+ 0 0 30 -4,-2.2 4,-0.5 4,-0.3 -2,-0.2 0.947 123.3 36.8 -76.2 -51.4 37.0 50.0 29.2 364 369 A D H <5S+ 0 0 18 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.912 131.1 24.6 -68.4 -47.8 33.7 51.6 30.3 365 370 A E T <5S+ 0 0 24 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.789 132.8 30.9 -94.5 -31.5 33.9 50.9 34.1 366 371 A L S - 0 0 57 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.337 33.3-108.9 -69.2 160.7 42.6 51.4 27.2 370 375 A R H > S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 119.5 54.5 -59.1 -41.6 41.2 49.1 24.5 371 376 A K H > S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.955 112.4 40.8 -56.2 -54.3 44.7 47.5 24.2 372 377 A H H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.881 114.7 52.8 -63.2 -39.2 44.9 46.7 27.9 373 378 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.916 111.8 45.1 -63.9 -44.2 41.3 45.6 28.1 374 379 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.931 114.5 48.3 -66.0 -45.4 41.6 43.2 25.2 375 380 A L H X S+ 0 0 76 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.894 112.2 46.8 -65.1 -41.7 44.9 41.8 26.4 376 381 A W H X S+ 0 0 160 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.886 112.6 51.1 -68.1 -35.9 43.8 41.1 30.0 377 382 A T H X S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.945 110.6 48.4 -64.9 -45.8 40.6 39.6 28.7 378 383 A A H X S+ 0 0 15 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.896 110.6 52.7 -60.4 -39.5 42.5 37.3 26.4 379 384 A A H X S+ 0 0 43 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.910 109.3 47.5 -63.3 -44.4 44.8 36.4 29.4 380 385 A I H X S+ 0 0 28 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 116.6 43.9 -64.1 -42.4 41.9 35.4 31.6 381 386 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.930 114.4 49.3 -68.2 -45.1 40.3 33.3 28.9 382 387 A F H X S+ 0 0 57 -4,-3.2 4,-0.6 -5,-0.2 -2,-0.2 0.949 115.2 43.6 -58.8 -51.0 43.6 31.7 27.8 383 388 A F H >< S+ 0 0 136 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.960 114.8 48.7 -59.0 -53.5 44.6 30.8 31.4 384 389 A S H >X S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.3 4,-0.6 0.805 98.8 68.9 -57.6 -34.2 41.1 29.5 32.3 385 390 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 -1,-0.3 0.720 80.4 76.5 -60.8 -22.0 40.9 27.4 29.2 386 391 A H H S+ 0 0 36 -3,-1.8 4,-2.1 -4,-0.3 -1,-0.2 0.925 109.7 42.5 -69.4 -42.0 40.8 23.7 32.8 388 393 A V H < S+ 0 0 3 -4,-0.6 7,-0.3 -3,-0.3 -2,-0.2 0.821 113.7 53.6 -72.2 -31.2 38.8 22.7 29.7 389 394 A M H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.900 122.8 23.7 -68.9 -42.0 41.9 21.5 27.9 390 395 A F H < S+ 0 0 80 -4,-2.0 -233,-2.7 -5,-0.2 2,-0.7 0.646 104.8 74.0-105.1 -18.8 43.0 19.1 30.6 391 396 A L B >< S-A 156 0A 13 -4,-2.1 3,-2.0 -235,-0.2 4,-0.5 -0.885 80.3-124.9-104.6 115.4 40.1 18.0 32.8 392 397 A N T 3 S+ 0 0 39 -237,-2.2 -3,-0.1 -2,-0.7 -2,-0.1 -0.315 92.5 8.8 -58.5 131.4 37.7 15.6 31.1 393 398 A K T 3> S+ 0 0 114 -5,-0.1 4,-1.8 1,-0.1 -1,-0.3 0.439 90.6 115.3 77.9 1.3 34.1 16.9 31.1 394 399 A S H <> S+ 0 0 2 -3,-2.0 4,-2.4 -7,-0.2 5,-0.2 0.929 76.2 55.0 -65.2 -42.1 35.0 20.3 32.4 395 400 A L H > S+ 0 0 22 -4,-0.5 4,-2.4 -7,-0.3 -1,-0.2 0.922 106.7 50.7 -54.2 -45.9 33.8 21.7 29.0 396 401 A D H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 108.9 51.2 -59.8 -43.3 30.4 20.0 29.6 397 402 A E H X S+ 0 0 12 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.916 111.9 45.5 -63.7 -44.4 30.0 21.4 33.1 398 403 A M H X>S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-1.1 0.908 111.1 53.2 -65.9 -41.5 30.7 25.0 31.9 399 404 A D H <5S+ 0 0 43 -4,-2.4 5,-0.3 -5,-0.2 -1,-0.2 0.847 111.0 49.5 -62.1 -33.8 28.4 24.6 28.9 400 405 A F H X>S+ 0 0 26 -4,-1.8 5,-2.7 3,-0.2 4,-1.1 0.987 116.3 35.9 -69.7 -59.4 25.7 23.5 31.3 401 406 A W H <>S+ 0 0 69 -4,-2.2 5,-1.7 3,-0.2 -2,-0.2 0.887 135.6 20.2 -64.5 -42.7 25.8 26.3 34.0 402 407 A A T <>S+ 0 0 0 -4,-2.3 5,-1.3 -5,-0.2 -3,-0.2 0.917 130.4 40.1 -92.0 -55.0 26.6 29.2 31.7 403 408 A G T 4S+ 0 0 0 -4,-1.7 4,-3.3 -5,-0.2 5,-0.5 0.937 110.7 47.5 -66.4 -46.4 13.1 40.9 30.8 416 421 A I H X>S+ 0 0 50 -4,-2.2 5,-2.1 1,-0.2 4,-0.6 0.791 114.4 46.5 -65.9 -33.7 11.8 41.4 34.4 417 422 A I H <>S+ 0 0 4 -4,-1.7 5,-2.7 3,-0.2 -1,-0.2 0.881 121.9 35.9 -72.5 -41.9 14.2 44.3 35.0 418 423 A F H <5S+ 0 0 0 -4,-2.1 9,-0.2 -5,-0.2 -2,-0.2 0.916 128.7 29.5 -81.1 -46.2 13.4 46.0 31.7 419 424 A F H <5S+ 0 0 1 -4,-3.3 5,-0.4 -5,-0.3 -3,-0.2 0.668 132.9 26.0 -91.8 -17.8 9.7 45.3 31.2 420 425 A W T < - 0 0 17 -5,-0.2 4,-3.1 -6,-0.2 5,-0.2 0.200 19.5-128.3 125.3 115.9 8.4 50.1 33.3 424 429 A A H > S+ 0 0 8 -5,-0.4 4,-2.7 -4,-0.3 5,-0.2 0.896 112.2 42.1 -53.6 -46.5 6.6 48.2 30.5 425 430 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 114.9 49.8 -72.0 -35.2 5.5 51.4 28.8 426 431 A K H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 114.0 47.1 -68.3 -38.2 8.9 53.1 29.2 427 432 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.942 111.7 48.7 -66.9 -48.9 10.5 49.9 27.8 428 433 A W H X S+ 0 0 42 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.912 112.7 49.8 -57.6 -42.6 8.1 49.7 24.9 429 434 A E H X S+ 0 0 130 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.907 110.5 50.0 -62.3 -42.5 8.8 53.4 24.2 430 435 A E H < S+ 0 0 24 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.868 109.7 50.7 -65.8 -38.2 12.5 52.8 24.3 431 436 A I H < S+ 0 0 0 -4,-2.5 -161,-0.3 1,-0.2 -160,-0.2 0.945 115.0 40.5 -65.4 -49.9 12.4 49.8 21.9 432 437 A N H >< S+ 0 0 20 -4,-2.1 3,-2.8 -5,-0.2 -1,-0.2 0.702 84.4 117.8 -74.4 -21.5 10.4 51.6 19.2 433 438 A R T 3< S+ 0 0 75 -4,-1.5 -163,-0.2 1,-0.3 -162,-0.1 -0.247 91.5 1.4 -52.6 123.3 12.2 54.9 19.5 434 439 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.3 -165,-0.1 -165,-0.2 0.505 94.4 158.4 76.5 4.4 13.8 55.7 16.1 435 440 A G < - 0 0 27 -3,-2.8 -1,-0.2 1,-0.2 3,-0.1 -0.342 45.2-147.8 -66.0 138.9 12.5 52.5 14.6 436 441 A I S S+ 0 0 101 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.764 95.3 15.2 -72.1 -24.9 12.3 52.2 10.8 437 442 A I S S- 0 0 68 -5,-0.1 2,-0.3 -3,-0.0 -166,-0.2 -0.924 88.8-114.9-140.7 161.6 9.3 50.0 11.6 438 443 A K - 0 0 176 -2,-0.3 3,-0.1 -3,-0.1 -6,-0.0 -0.767 30.9-105.9-103.1 150.0 7.3 49.5 14.8 439 444 A V - 0 0 5 -2,-0.3 5,-0.1 -11,-0.1 -7,-0.1 -0.544 50.7 -96.2 -70.7 132.4 7.0 46.4 16.8 440 445 A P > - 0 0 70 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.229 31.9-121.8 -50.1 134.9 3.6 44.8 16.2 441 446 A R T >> S+ 0 0 188 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.817 108.2 66.4 -49.5 -37.9 1.3 45.8 19.0 442 447 A I H >> S+ 0 0 111 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.837 89.5 65.8 -56.2 -34.2 0.6 42.2 20.0 443 448 A Y H <> S+ 0 0 36 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.661 86.2 70.4 -65.0 -15.7 4.3 41.8 21.1 444 449 A Y H <> S+ 0 0 23 -3,-1.9 4,-1.9 -4,-0.4 -1,-0.2 0.933 105.2 40.1 -64.7 -43.6 3.7 44.3 23.9 445 450 A Y H S+ 0 0 110 -3,-0.9 4,-2.1 -4,-0.6 5,-1.4 0.773 113.2 54.7 -75.5 -28.8 1.6 41.7 25.6 446 451 A V H <>S+ 0 0 12 -4,-1.3 5,-3.2 3,-0.2 -2,-0.2 0.969 112.2 43.6 -67.8 -51.0 3.9 38.8 24.7 447 452 A M H <5S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 119.6 41.8 -60.6 -41.9 6.9 40.6 26.2 448 453 A R H <5S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.853 136.8 3.6 -78.2 -35.4 5.0 41.6 29.4 449 454 A Y T X5S+ 0 0 117 -4,-2.1 4,-1.2 -5,-0.1 -3,-0.2 0.778 126.9 45.0-118.8 -46.6 3.0 38.5 30.1 450 455 A I H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 116.2 46.6 -62.3 -35.3 8.2 35.8 31.2 453 458 A A H X S+ 0 0 53 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.891 110.8 53.4 -71.5 -39.4 5.5 33.2 32.0 454 459 A F H X S+ 0 0 51 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.927 114.6 40.3 -59.3 -49.0 6.8 30.8 29.3 455 460 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.875 111.2 56.6 -70.5 -40.1 10.4 30.9 30.7 456 461 A A H X S+ 0 0 39 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.943 111.1 43.8 -57.7 -48.8 9.3 30.8 34.4 457 462 A V H X S+ 0 0 90 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.964 112.4 53.2 -59.9 -52.5 7.4 27.6 33.8 458 463 A L H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.907 110.0 47.4 -47.7 -52.5 10.3 26.2 31.7 459 464 A L H X S+ 0 0 32 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.860 111.9 50.8 -60.7 -38.1 12.8 26.9 34.5 460 465 A V H X S+ 0 0 74 -4,-2.0 4,-1.6 -3,-0.2 -2,-0.2 0.957 112.4 44.1 -65.5 -52.0 10.6 25.3 37.1 461 466 A V H X S+ 0 0 32 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.839 114.8 53.6 -61.0 -32.2 10.0 22.1 35.2 462 467 A W H >X>S+ 0 0 19 -4,-2.0 4,-1.6 -5,-0.3 5,-1.4 0.949 109.8 44.5 -66.5 -52.3 13.7 22.1 34.5 463 468 A A H 3<5S+ 0 0 49 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.679 119.6 40.5 -69.3 -21.0 14.8 22.4 38.1 464 469 A R H 3<5S+ 0 0 156 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.427 126.2 26.8-110.8 2.1 12.4 19.8 39.5 465 470 A E H <<5S+ 0 0 113 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.2 0.447 128.3 26.9-139.8 -5.4 12.5 17.1 36.8 466 471 A Y T X5S+ 0 0 73 -4,-1.6 4,-0.9 -5,-0.2 -3,-0.2 0.616 116.5 46.5-131.8 -29.0 15.8 17.2 35.0 467 472 A I H > S+ 0 0 129 1,-0.1 4,-0.8 3,-0.1 3,-0.4 0.924 119.2 38.1 -74.8 -47.8 19.1 13.7 38.6 470 475 A I H < S+ 0 0 70 -4,-0.9 2,-1.2 1,-0.2 4,-0.4 0.820 107.8 66.2 -73.5 -32.1 22.1 15.2 36.9 471 476 A M T < S+ 0 0 55 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.1 -0.257 113.8 28.7 -85.3 48.1 23.0 17.3 40.0 472 477 A E T 4 S+ 0 0 152 -2,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.309 108.8 62.1-174.7 -20.6 23.8 14.1 42.0 473 478 A E S < S+ 0 0 155 -4,-0.8 -2,-0.1 -3,-0.2 -3,-0.1 0.284 79.5 114.5-103.5 8.4 25.0 11.4 39.7 474 479 A T S S- 0 0 49 -4,-0.4 2,-0.0 1,-0.1 -3,-0.0 -0.399 74.0 -97.8 -82.8 158.4 28.1 13.2 38.5 475 480 A H > - 0 0 96 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.359 37.8-111.2 -68.0 150.4 31.8 12.4 39.0 476 481 A W T > S+ 0 0 171 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.790 110.3 74.3 -56.8 -28.8 33.5 14.2 41.9 477 482 A T T >> S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 4,-1.0 0.645 75.3 78.0 -61.7 -15.2 35.6 16.2 39.4 478 483 A V H <> S+ 0 0 14 -3,-2.0 4,-2.3 1,-0.3 -1,-0.3 0.841 85.9 63.8 -62.6 -28.8 32.6 18.3 38.4 479 484 A W H <> S+ 0 0 160 -3,-1.9 4,-2.5 -4,-0.3 -1,-0.3 0.739 92.3 61.9 -66.6 -22.2 33.3 20.2 41.6 480 485 A I H <> S+ 0 0 61 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.2 0.941 109.9 39.9 -67.7 -45.2 36.7 21.4 40.3 481 486 A T H X S+ 0 0 0 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.913 115.7 50.8 -69.4 -42.7 34.9 23.2 37.5 482 487 A R H X S+ 0 0 26 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.937 110.9 49.9 -59.3 -46.8 32.1 24.5 39.7 483 488 A F H X S+ 0 0 159 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.947 112.8 46.8 -56.7 -50.5 34.6 25.7 42.2 484 489 A Y H X S+ 0 0 59 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.920 113.3 45.6 -63.0 -44.9 36.6 27.6 39.6 485 490 A I H X S+ 0 0 4 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.801 109.9 54.9 -72.6 -22.9 33.7 29.2 37.8 486 491 A I H X S+ 0 0 98 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.904 107.5 51.8 -70.9 -38.0 32.2 30.3 41.2 487 492 A G H X S+ 0 0 34 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.885 105.6 54.5 -62.8 -38.3 35.6 31.9 41.8 488 493 A L H X S+ 0 0 9 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.898 107.3 50.5 -62.4 -39.7 35.3 33.7 38.5 489 494 A F H X S+ 0 0 39 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.931 111.0 48.3 -63.0 -43.5 31.9 35.1 39.6 490 495 A L H X S+ 0 0 112 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.880 110.7 51.8 -63.4 -39.3 33.5 36.3 42.8 491 496 A F H X S+ 0 0 80 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.926 111.1 46.5 -62.1 -47.1 36.3 37.9 40.9 492 497 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.851 109.6 54.2 -66.2 -34.3 34.0 39.7 38.6 493 498 A T H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.908 107.0 52.2 -65.6 -39.5 31.9 40.9 41.5 494 499 A F H X S+ 0 0 115 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.879 107.5 51.6 -63.7 -37.8 35.0 42.3 43.1 495 500 A L H X S+ 0 0 19 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.870 108.1 51.1 -67.1 -36.3 35.8 44.2 39.8 496 501 A V H X S+ 0 0 14 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.886 109.1 52.3 -66.2 -37.4 32.3 45.7 39.9 497 502 A F H X S+ 0 0 87 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.913 110.3 47.6 -63.1 -43.7 32.9 46.8 43.5 498 503 A L H X S+ 0 0 64 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.870 108.4 55.3 -66.0 -36.4 36.2 48.4 42.4 499 504 A A H X S+ 0 0 10 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.875 107.7 48.8 -64.7 -38.1 34.3 50.2 39.5 500 505 A E H X S+ 0 0 22 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.839 110.5 50.6 -72.2 -31.0 31.8 51.7 41.9 501 506 A R H X S+ 0 0 104 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.853 109.5 50.3 -73.5 -33.5 34.6 52.9 44.2 502 507 A R H X S+ 0 0 132 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.872 110.2 51.7 -69.6 -36.6 36.4 54.5 41.3 503 508 A R H X S+ 0 0 142 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.933 110.4 47.4 -64.1 -48.1 33.1 56.2 40.3 504 509 A N H X S+ 0 0 79 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.927 114.2 46.3 -59.9 -48.1 32.6 57.6 43.8 505 510 A H H X S+ 0 0 153 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.880 113.8 48.6 -63.4 -40.1 36.1 58.9 44.1 506 511 A E H >X S+ 0 0 112 -4,-2.2 3,-1.0 2,-0.2 4,-0.6 0.946 112.7 48.2 -65.5 -48.6 36.0 60.5 40.6 507 512 A S H >< S+ 0 0 54 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.953 107.5 53.4 -56.2 -55.2 32.7 62.1 41.3 508 513 A A H 3< S+ 0 0 92 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.658 106.7 57.0 -56.4 -15.1 33.7 63.6 44.6 509 514 A G H << 0 0 63 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.624 360.0 360.0 -91.4 -14.9 36.7 65.1 42.7 510 515 A T << 0 0 139 -3,-2.5 -2,-0.2 -4,-0.6 -3,-0.1 0.815 360.0 360.0-108.5 360.0 34.5 66.9 40.3 511 ! 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,-2.7 0, 0.0 -491,-0.4 0.000 360.0 360.0 360.0 360.0 26.5 31.7 18.9