==== 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 3F4J . 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) . 20095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 80.6 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 . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 5.9 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 0 2 3 4 1 1 0 1 2 0 2 4 0 1 0 0 1 0 0 1 0 0 0 1 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 . 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 0 102 0, 0.0 262,-0.0 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 141.6 33.0 56.2 22.7 2 6 A E - 0 0 52 1,-0.0 2,-0.3 262,-0.0 179,-0.0 -0.276 360.0-167.4 -63.6 152.5 33.4 54.0 19.6 3 7 A H - 0 0 53 262,-0.0 261,-0.2 261,-0.0 2,-0.2 -0.965 33.3 -92.5-136.5 154.9 30.5 53.5 17.3 4 8 A W - 0 0 6 259,-1.6 261,-0.2 -2,-0.3 179,-0.1 -0.501 34.4-143.7 -62.1 134.1 29.9 51.1 14.4 5 9 A A S S+ 0 0 76 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.967 75.1 18.0 -67.9 -54.9 30.9 52.9 11.2 6 10 A T > - 0 0 56 1,-0.1 4,-1.8 177,-0.1 5,-0.1 -0.780 70.0-123.6-118.2 161.2 28.2 51.6 8.9 7 11 A R H > S+ 0 0 108 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.844 114.1 54.5 -68.6 -33.7 24.8 50.0 9.3 8 12 A L H > S+ 0 0 100 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.940 107.8 48.1 -64.5 -49.0 26.0 47.0 7.2 9 13 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 111.2 52.2 -57.2 -42.6 29.1 46.5 9.4 10 14 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.951 112.8 43.8 -57.5 -52.5 26.8 46.7 12.4 11 15 A I H X S+ 0 0 19 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.937 115.9 46.5 -59.4 -50.7 24.4 44.0 11.0 12 16 A L H X S+ 0 0 30 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.808 112.8 50.9 -64.4 -32.1 27.3 41.7 9.8 13 17 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.921 113.4 44.0 -70.2 -45.5 29.1 42.1 13.2 14 18 A M H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.854 114.3 50.8 -65.7 -37.0 25.9 41.2 15.1 15 19 A A H X S+ 0 0 2 -4,-2.7 4,-3.8 -5,-0.2 -2,-0.2 0.885 110.1 49.3 -66.1 -40.7 25.2 38.4 12.6 16 20 A G H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.854 107.6 55.5 -67.7 -36.2 28.8 37.1 13.1 17 21 A N H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.959 117.9 34.2 -57.5 -47.3 28.2 37.3 16.9 18 22 A A H < S+ 0 0 1 -4,-2.1 2,-0.7 494,-0.1 -2,-0.2 0.951 105.2 72.7 -74.3 -50.1 25.2 35.1 16.5 19 23 A V S < S+ 0 0 4 -4,-3.8 2,-0.2 -5,-0.1 330,-0.1 -0.537 73.3 107.7 -78.7 110.6 26.2 32.8 13.7 20 24 A G S >> S- 0 0 0 -2,-0.7 3,-1.4 229,-0.1 4,-1.0 -0.589 83.9 -36.0-151.6-150.5 28.9 30.4 15.1 21 25 A L H 3>>S+ 0 0 10 491,-0.7 4,-3.3 325,-0.3 5,-1.4 0.802 123.0 71.4 -56.5 -28.6 29.7 26.8 16.2 22 26 A G H 34>S+ 0 0 0 490,-1.7 5,-3.0 1,-0.2 -1,-0.3 0.849 98.2 45.7 -55.3 -39.4 26.1 26.8 17.5 23 27 A N H <45S+ 0 0 0 -3,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.856 124.6 29.7 -72.7 -37.4 24.7 26.7 13.9 24 28 A F H <5S+ 0 0 1 -4,-1.0 -2,-0.2 3,-0.1 269,-0.2 0.689 135.4 19.6-102.9 -22.3 27.0 24.0 12.5 25 29 A L T X5S+ 0 0 15 -4,-3.3 4,-1.3 -5,-0.2 -3,-0.2 0.779 127.2 37.4-110.3 -55.8 27.9 21.8 15.5 26 30 A R H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.928 113.9 45.2 -55.6 -45.3 22.5 19.5 14.3 29 33 A V H X S+ 0 0 7 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.928 114.3 48.7 -63.5 -46.2 23.1 17.4 17.4 30 34 A Q H X S+ 0 0 31 -4,-2.7 4,-1.4 1,-0.2 6,-0.2 0.933 114.2 44.8 -58.6 -50.1 20.2 19.1 19.3 31 35 A A H <>S+ 0 0 2 -4,-3.1 5,-3.3 -5,-0.2 8,-0.3 0.891 114.8 49.5 -62.2 -40.4 17.8 18.5 16.4 32 36 A A H ><5S+ 0 0 2 -4,-2.4 3,-1.1 -5,-0.3 -2,-0.2 0.902 110.1 48.9 -67.6 -43.3 19.0 15.0 15.9 33 37 A E H 3<5S+ 0 0 62 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.805 112.4 50.4 -64.3 -29.9 18.7 14.0 19.6 34 38 A N T 3<5S- 0 0 22 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.027 126.9 -86.8-107.6 26.0 15.2 15.4 19.8 35 39 A G T X 5 - 0 0 32 -3,-1.1 3,-1.4 3,-0.2 2,-0.9 0.568 49.3-117.5 89.1 11.0 13.5 13.8 16.8 36 40 A G T >> S+ 0 0 2 187,-2.0 4,-1.0 -2,-0.9 -1,-0.3 0.821 118.0 59.7 -58.2 -33.1 11.1 17.5 12.9 38 42 A A H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -3,-0.2 0.829 105.0 50.4 -62.0 -33.4 9.7 17.0 16.4 39 43 A F H <> S+ 0 0 0 -3,-1.0 4,-1.9 -8,-0.3 -1,-0.2 0.820 100.2 66.0 -72.2 -32.5 12.4 19.4 17.6 40 44 A M H X S+ 0 0 8 -4,-1.3 4,-3.1 185,-0.3 5,-0.2 0.831 91.7 57.4 -67.6 -38.1 11.5 22.1 15.1 41 45 A I H X S+ 0 0 45 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.971 113.6 38.8 -58.5 -56.1 8.0 23.0 16.3 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.879 115.5 56.1 -59.7 -37.3 9.2 24.0 19.8 43 47 A Y H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.926 109.1 44.7 -60.1 -48.5 12.3 25.5 18.2 44 48 A I H X S+ 0 0 78 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.914 114.1 49.2 -61.6 -44.9 10.3 27.8 16.0 45 49 A I H X S+ 0 0 61 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.878 109.2 53.1 -64.0 -38.8 7.9 28.8 18.8 46 50 A A H X>S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-2.1 0.896 105.7 54.0 -61.7 -41.3 10.9 29.5 21.1 47 51 A F H <>S+ 0 0 29 -4,-2.0 5,-3.0 3,-0.2 -1,-0.2 0.872 114.1 41.9 -61.2 -35.8 12.3 31.8 18.4 48 52 A L H <5S+ 0 0 79 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.820 124.0 34.1 -82.0 -32.9 9.0 33.8 18.3 49 53 A L H <5S+ 0 0 47 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.649 139.9 8.2 -98.6 -17.7 8.3 33.9 22.1 50 54 A V T X5S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.4 0.659 121.6 54.1-127.1 -58.0 11.9 34.1 23.4 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.925 114.4 46.0 -57.4 -48.3 11.7 39.5 22.1 54 58 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.829 107.9 58.5 -65.0 -33.7 14.9 39.1 24.1 55 59 A M H X S+ 0 0 2 -4,-1.8 4,-2.5 -5,-0.4 5,-0.2 0.957 108.7 44.4 -57.9 -51.0 17.0 40.2 21.1 56 60 A W H X S+ 0 0 8 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.912 112.4 53.0 -59.6 -42.6 15.2 43.5 21.0 57 61 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.904 111.3 45.4 -60.8 -42.8 15.5 43.9 24.7 58 62 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.876 111.5 51.4 -71.3 -39.7 19.2 43.3 24.7 59 63 A W H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.935 113.2 47.5 -56.7 -46.2 19.8 45.7 21.8 60 64 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.928 111.4 48.1 -63.7 -48.6 17.8 48.3 23.7 61 65 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.905 113.9 49.0 -58.7 -42.8 19.6 47.8 27.0 62 66 A G H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.951 113.1 43.9 -62.3 -52.5 22.9 48.0 25.2 63 67 A R H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.925 114.7 52.2 -59.3 -43.8 22.1 51.2 23.2 64 68 A Y H < S+ 0 0 48 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.938 113.9 41.7 -55.5 -52.0 20.7 52.7 26.4 65 69 A G H ><>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 3,-1.7 0.913 110.3 57.1 -64.5 -44.2 23.8 51.9 28.4 66 70 A G H ><5S+ 0 0 8 -4,-3.1 3,-2.1 1,-0.3 -1,-0.2 0.848 95.8 64.5 -55.8 -37.4 26.2 53.0 25.7 67 71 A A T 3<5S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.753 108.7 41.9 -59.1 -23.5 24.6 56.4 25.5 68 72 A Q T < 5S- 0 0 97 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.236 127.6 -97.5-107.5 11.3 25.9 56.9 29.1 69 73 A G T < 5S+ 0 0 30 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.737 87.1 118.2 81.8 24.8 29.3 55.3 28.4 70 74 A H < + 0 0 48 -5,-2.2 -2,-0.2 -8,-0.1 -1,-0.2 -0.981 29.3 169.1-130.0 125.1 28.5 51.8 29.8 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.2 191,-0.2 0.557 58.8 67.3-108.8 -11.6 28.5 48.6 27.7 72 76 A T S >> S- 0 0 2 288,-0.1 4,-2.2 -7,-0.1 3,-0.7 -0.786 80.8-114.2-118.0 160.5 28.2 45.9 30.3 73 77 A T H 3> S+ 0 0 2 -2,-0.3 4,-2.7 17,-0.2 5,-0.4 0.695 102.1 69.9 -68.3 -27.6 25.5 44.8 32.7 74 78 A P H 3> S+ 0 0 4 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.946 117.2 26.8 -55.8 -43.8 27.0 45.5 36.1 75 79 A A H <> S+ 0 0 16 -3,-0.7 4,-1.5 2,-0.2 3,-0.2 0.896 122.5 52.8 -80.5 -44.6 26.6 49.2 35.3 76 80 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.3 3,-0.2 0.892 107.2 51.6 -61.7 -43.3 23.6 49.0 32.9 77 81 A F H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.835 109.0 53.2 -59.5 -33.2 21.5 47.0 35.4 78 82 A Y H < S+ 0 0 34 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.807 104.5 54.3 -74.3 -30.5 22.2 49.7 37.9 79 83 A L H < S+ 0 0 26 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.839 114.6 40.4 -68.5 -34.4 21.0 52.4 35.5 80 84 A L H < S+ 0 0 10 -4,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.663 131.7 25.1 -87.1 -19.2 17.7 50.5 35.1 81 85 A W S < S- 0 0 65 -4,-1.2 2,-2.7 -5,-0.2 -1,-0.3 -0.797 72.0-147.4-153.4 100.2 17.5 49.6 38.8 82 86 A R + 0 0 151 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 -0.389 60.4 114.6 -73.1 71.0 19.3 51.8 41.4 83 87 A N S >> S- 0 0 66 -2,-2.7 3,-1.9 -6,-0.1 4,-0.9 -0.998 71.2-131.0-144.4 135.6 20.1 48.9 43.8 84 88 A R H >> S+ 0 0 115 -2,-0.3 4,-1.4 1,-0.3 3,-0.5 0.835 110.2 63.0 -54.3 -34.3 23.4 47.4 44.9 85 89 A F H 3> S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.769 93.7 62.2 -62.1 -27.3 21.9 44.0 44.0 86 90 A A H <> S+ 0 0 0 -3,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.877 101.8 50.8 -66.8 -38.1 21.6 45.1 40.4 87 91 A K H < S+ 0 0 76 -4,-1.4 3,-1.2 1,-0.2 4,-0.4 0.927 112.2 46.6 -69.2 -46.0 25.8 42.0 41.6 89 93 A L H >< S+ 0 0 25 -4,-2.5 3,-1.0 1,-0.3 4,-0.3 0.803 106.1 62.9 -63.2 -28.4 23.3 40.4 39.3 90 94 A G H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 -1,-0.3 0.690 83.9 76.3 -70.8 -19.2 25.0 42.3 36.5 91 95 A V T XX S+ 0 0 1 -3,-1.2 4,-2.8 -4,-0.5 3,-2.1 0.825 82.4 67.1 -61.3 -31.4 28.2 40.4 37.2 92 96 A F H <> S+ 0 0 46 -3,-1.0 4,-2.6 -4,-0.4 -1,-0.3 0.787 90.3 64.3 -58.4 -27.3 26.7 37.4 35.4 93 97 A G H <4 S+ 0 0 1 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.507 112.9 33.5 -77.5 -5.5 26.9 39.5 32.2 94 98 A L H <> S+ 0 0 1 -3,-2.1 4,-1.6 -4,-0.2 -2,-0.2 0.650 120.0 50.9-106.6 -38.8 30.7 39.4 32.6 95 99 A W H X S+ 0 0 19 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.929 106.9 51.0 -67.7 -49.6 30.9 35.9 34.1 96 100 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.939 113.6 43.3 -57.7 -52.0 28.9 34.0 31.5 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.882 115.5 50.6 -63.1 -37.6 30.7 35.3 28.4 98 102 A L H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.937 112.7 44.2 -64.5 -48.8 34.1 34.9 30.1 99 103 A V H X S+ 0 0 0 -4,-3.0 4,-0.8 2,-0.2 5,-0.2 0.910 115.1 49.3 -63.4 -42.0 33.4 31.3 31.2 100 104 A V H >X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 3,-1.1 0.924 109.1 52.4 -61.5 -44.7 32.0 30.5 27.8 101 105 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.4 0.854 98.4 67.5 -57.7 -35.8 35.0 32.0 26.1 102 106 A I H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.781 118.3 19.9 -60.8 -29.7 37.2 29.8 28.2 103 107 A Y H S+ 0 0 3 -5,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.945 109.8 45.6 -68.3 -47.0 39.6 26.2 22.6 107 111 A I H X S+ 0 0 12 -4,-2.1 4,-1.4 1,-0.2 3,-0.4 0.903 111.7 53.8 -60.6 -40.2 37.0 24.3 20.6 108 112 A E H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.871 102.8 57.9 -58.6 -38.2 37.5 27.0 17.9 109 113 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.837 100.4 57.1 -64.8 -31.7 41.2 26.3 18.0 110 114 A W H X S+ 0 0 8 -4,-1.4 4,-3.0 -3,-0.4 5,-0.2 0.901 102.8 53.8 -62.4 -43.8 40.4 22.6 17.1 111 115 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 233,-0.2 0.858 110.9 46.5 -60.5 -36.4 38.6 23.7 13.9 112 116 A L H X S+ 0 0 20 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.917 112.1 50.0 -70.9 -43.8 41.7 25.7 12.9 113 117 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 113.9 45.1 -60.7 -44.6 44.0 22.8 13.7 114 118 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.893 109.9 55.4 -64.7 -41.2 41.9 20.4 11.7 115 119 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.946 110.3 46.4 -57.6 -48.0 41.6 23.0 8.8 116 120 A I H X S+ 0 0 67 -4,-2.5 4,-2.0 1,-0.2 6,-0.2 0.934 115.0 45.1 -57.6 -50.7 45.4 23.2 8.7 117 121 A K H <>S+ 0 0 44 -4,-2.2 5,-2.1 1,-0.2 4,-0.2 0.829 113.8 49.3 -67.4 -33.6 46.0 19.4 8.8 118 122 A F H <5S+ 0 0 5 -4,-2.7 3,-0.5 3,-0.2 -1,-0.2 0.865 109.5 53.0 -73.2 -35.8 43.2 18.7 6.2 119 123 A L H <5S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.928 113.6 41.4 -60.0 -48.1 44.7 21.3 3.9 120 124 A V T <5S- 0 0 96 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.409 113.9-117.8 -85.6 1.5 48.2 19.8 4.0 121 125 A G T 5 + 0 0 35 -3,-0.5 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1,-0.2 -1,-0.2 0.889 111.8 52.9 -65.1 -40.1 14.9 27.0 24.2 244 249 A G H X S+ 0 0 6 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.886 111.1 46.3 -60.5 -40.6 18.4 26.3 25.2 245 250 A Q H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.903 109.3 54.9 -69.9 -41.6 19.5 26.1 21.5 246 251 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 6,-0.3 0.914 112.2 44.5 -55.3 -45.6 17.6 29.3 20.8 247 252 A F H X>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-0.8 0.978 117.0 42.7 -63.0 -58.4 19.5 31.1 23.6 248 253 A F H ><5S+ 0 0 10 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.895 115.3 51.9 -56.7 -41.6 22.9 29.8 22.7 249 254 A T H 3<5S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 113.5 40.6 -66.9 -41.5 22.3 30.3 19.0 250 255 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.498 109.5-119.7 -87.0 1.2 21.2 34.0 19.2 251 256 A S T X<5 + 0 0 0 -4,-0.8 3,-1.0 -3,-0.6 6,-0.7 0.771 57.1 162.3 65.4 26.8 23.9 34.7 21.8 252 257 A L T 3 < + 0 0 0 -5,-2.0 -1,-0.2 -6,-0.3 159,-0.2 -0.615 58.8 21.6 -81.9 136.3 21.2 35.7 24.3 253 258 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.2 157,-0.1 0.468 96.7 99.9 88.6 3.5 22.1 35.8 28.0 254 259 A F S < S- 0 0 2 -3,-1.0 -2,-0.1 -7,-0.1 -154,-0.1 0.501 87.8-127.9 -94.5 -9.9 25.8 36.2 27.1 255 260 A G S > S+ 0 0 2 -4,-0.2 4,-1.8 -159,-0.1 5,-0.1 0.510 85.6 108.0 69.5 4.6 25.9 39.9 27.7 256 261 A A H > S+ 0 0 0 -5,-0.5 4,-2.2 2,-0.2 5,-0.2 0.874 72.2 47.6 -83.1 -42.0 27.4 39.9 24.2 257 262 A I H > S+ 0 0 2 -6,-0.7 4,-2.5 2,-0.2 5,-0.2 0.908 113.2 52.5 -63.0 -40.8 24.5 41.4 22.2 258 263 A I H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.948 109.5 46.4 -60.4 -50.5 24.3 44.0 24.9 259 264 A T H < S+ 0 0 1 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.896 113.6 48.8 -62.8 -41.2 27.9 45.1 24.7 260 265 A Y H >< S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.923 110.0 51.9 -61.1 -45.6 27.8 45.2 20.9 261 266 A A H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.741 92.2 74.6 -65.3 -23.3 24.6 47.3 21.0 262 267 A S T 3< S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.526 92.6 56.7 -68.3 -3.1 26.3 49.7 23.4 263 268 A Y T < S+ 0 0 4 -3,-1.6 -259,-1.6 -4,-0.1 2,-0.4 0.327 83.0 102.6-108.5 3.0 28.2 50.9 20.3 264 269 A V S < S- 0 0 3 -3,-2.1 -197,-0.1 -261,-0.2 -198,-0.1 -0.747 86.8-102.6 -81.9 131.1 25.1 51.7 18.4 265 270 A R > - 0 0 129 -2,-0.4 3,-1.3 -261,-0.2 -1,-0.1 -0.204 31.1-109.9 -58.4 145.7 24.4 55.5 18.4 266 271 A K T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -4,-0.1 -199,-0.1 0.761 117.6 35.5 -47.9 -34.5 21.7 56.6 20.8 267 272 A D T 3 S+ 0 0 100 2,-0.1 -1,-0.3 167,-0.0 -2,-0.1 0.621 91.5 114.7 -96.6 -17.4 19.2 57.4 18.0 268 273 A Q S < S- 0 0 23 -3,-1.3 167,-0.1 1,-0.1 -4,-0.1 -0.244 74.8 -98.2 -64.0 141.8 20.1 54.6 15.6 269 274 A D + 0 0 3 165,-0.2 166,-0.2 1,-0.1 -1,-0.1 -0.239 41.3 167.8 -60.1 143.0 17.5 51.9 14.9 270 275 A I > + 0 0 0 161,-0.3 4,-1.7 163,-0.2 5,-0.2 0.414 66.6 71.7-128.4 -13.2 17.7 48.6 16.7 271 276 A V H > S+ 0 0 0 166,-0.2 4,-2.1 2,-0.2 5,-0.1 0.975 109.1 28.7 -70.6 -56.3 14.3 47.2 15.8 272 277 A L H > S+ 0 0 57 2,-0.2 4,-2.4 165,-0.2 5,-0.2 0.879 123.7 51.0 -73.0 -39.3 14.9 46.4 12.1 273 278 A S H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 111.9 47.3 -62.1 -47.4 18.7 45.8 12.7 274 279 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.948 113.9 46.6 -58.7 -51.5 18.0 43.4 15.6 275 280 A L H X S+ 0 0 52 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.885 112.5 51.1 -58.9 -41.2 15.3 41.5 13.7 276 281 A T H X S+ 0 0 52 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.940 110.1 47.9 -63.2 -49.0 17.6 41.3 10.6 277 282 A A H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.899 114.3 47.6 -58.4 -42.2 20.6 40.0 12.6 278 283 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.893 112.8 48.0 -66.8 -40.9 18.4 37.4 14.3 279 284 A T H X S+ 0 0 48 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.869 107.6 55.8 -69.8 -38.4 16.8 36.3 11.0 280 285 A L H X S+ 0 0 62 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.925 109.0 48.4 -56.8 -45.9 20.2 36.0 9.4 281 286 A N H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.915 108.6 52.2 -61.8 -45.9 21.3 33.6 12.1 282 287 A E H X>S+ 0 0 18 -4,-2.0 4,-2.8 2,-0.2 5,-0.5 0.880 110.0 49.4 -60.2 -38.6 18.1 31.5 11.8 283 288 A K H X>S+ 0 0 118 -4,-2.1 4,-1.7 1,-0.2 5,-1.4 0.937 110.9 48.9 -65.1 -47.1 18.7 31.1 8.1 284 289 A A H <>S+ 0 0 9 -4,-2.2 5,-3.3 3,-0.2 -1,-0.2 0.810 117.7 44.6 -60.4 -29.6 22.3 30.1 8.7 285 290 A E H <>S+ 0 0 0 -4,-1.9 5,-1.9 3,-0.2 -2,-0.2 0.969 122.6 26.8 -81.9 -59.0 21.1 27.6 11.3 286 291 A V H <5S+ 0 0 22 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.1 0.812 133.1 33.5 -80.3 -30.2 18.1 25.8 9.9 287 292 A I T <>> S+ 0 0 7 -5,-0.3 4,-3.2 -4,-0.2 5,-0.3 0.955 114.3 45.9 -57.6 -57.0 22.5 15.5 9.2 295 300 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.866 114.0 50.4 -57.5 -37.8 21.8 14.8 5.5 296 301 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.915 114.1 44.4 -64.5 -43.3 25.4 13.7 5.0 297 302 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.910 114.9 47.4 -67.5 -44.6 25.2 11.3 7.9 298 303 A V H X S+ 0 0 2 -4,-3.2 4,-2.1 3,-0.2 -1,-0.2 0.857 107.0 58.7 -65.8 -35.5 21.8 10.0 6.9 299 304 A A H < S+ 0 0 0 -4,-2.1 -86,-0.3 -5,-0.3 -84,-0.3 0.889 117.7 30.4 -61.3 -40.6 23.0 9.5 3.3 300 305 A F H < S+ 0 0 39 -4,-1.4 -2,-0.2 -85,-0.1 -1,-0.2 0.760 138.7 19.2 -89.9 -27.5 25.7 7.2 4.4 301 306 A F H < S- 0 0 32 -4,-2.3 4,-0.5 -5,-0.2 -3,-0.2 0.585 100.0-118.7-121.4 -18.0 24.2 5.6 7.5 302 307 A G X - 0 0 16 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 -0.029 40.7 -71.4 86.0 161.9 20.4 6.1 7.3 303 308 A V H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.929 128.1 51.6 -55.7 -54.8 18.3 8.0 9.8 304 309 A A H > S+ 0 0 81 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 113.9 43.9 -53.5 -45.6 18.4 5.5 12.7 305 310 A N H > S+ 0 0 94 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.875 110.2 55.3 -68.6 -39.1 22.2 5.3 12.6 306 311 A A H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.887 107.2 50.5 -61.6 -41.0 22.7 9.1 12.3 307 312 A V H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.899 110.3 49.4 -63.5 -42.4 20.6 9.7 15.4 308 313 A A H X S+ 0 0 58 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.886 110.3 51.2 -64.7 -40.5 22.7 7.2 17.4 309 314 A I H X S+ 0 0 27 -4,-2.4 4,-1.1 2,-0.2 3,-0.2 0.946 110.6 48.2 -60.2 -50.0 25.9 8.9 16.1 310 315 A A H < S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.903 112.9 47.7 -57.5 -44.5 24.6 12.3 17.2 311 316 A K H < S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 98.7 73.3 -66.4 -27.4 23.6 11.0 20.6 312 317 A A H < S- 0 0 69 -4,-1.6 2,-0.3 -3,-0.2 -1,-0.2 0.918 116.1 -25.5 -55.0 -50.5 27.0 9.3 20.9 313 318 A G < - 0 0 21 -4,-1.1 4,-0.3 -3,-0.3 -1,-0.1 -0.881 52.6-114.5-151.6-178.0 28.9 12.6 21.5 314 319 A A S S+ 0 0 60 -2,-0.3 4,-0.3 2,-0.1 -285,-0.1 0.696 116.8 34.2 -96.1 -25.0 28.7 16.3 20.9 315 320 A F S >>S+ 0 0 47 2,-0.1 4,-2.4 1,-0.1 5,-0.5 0.390 94.6 91.0-109.9 -0.3 31.8 16.4 18.6 316 321 A N H >>S+ 0 0 26 1,-0.2 5,-3.3 2,-0.2 4,-1.4 0.933 89.0 44.4 -60.5 -50.0 31.3 13.0 17.0 317 322 A L H 4>S+ 0 0 6 -4,-0.3 5,-2.2 3,-0.2 -1,-0.2 0.911 122.9 34.4 -64.3 -45.3 29.2 14.3 14.1 318 323 A G H 45S+ 0 0 2 -4,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.792 128.0 30.0 -84.6 -32.0 31.4 17.4 13.3 319 324 A F H <5S+ 0 0 1 -4,-2.4 -3,-0.2 3,-0.1 -2,-0.2 0.620 135.0 16.6-106.0 -15.7 34.9 16.2 14.0 320 325 A I T X S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.876 113.3 53.0 -61.5 -34.8 35.3 14.1 7.8 324 329 A A H < S+ 0 0 2 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.937 110.4 46.5 -63.2 -47.8 35.1 10.3 7.7 325 330 A I H >< S+ 0 0 4 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.917 112.0 51.4 -57.6 -45.8 32.2 10.5 5.3 326 331 A F H >< S+ 0 0 1 -4,-2.7 3,-2.5 1,-0.3 6,-0.2 0.843 97.6 66.4 -62.0 -35.6 34.0 13.1 3.1 327 332 A S T 3< S+ 0 0 33 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.636 94.3 61.1 -63.5 -12.7 37.1 10.9 2.9 328 333 A Q T < S+ 0 0 92 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.353 98.7 72.5 -93.8 4.0 35.0 8.5 0.9 329 334 A T S X S- 0 0 23 -3,-2.5 3,-2.2 -118,-0.0 4,-0.2 -0.869 96.3 -88.1-122.1 153.3 34.4 11.1 -1.8 330 335 A A T 3 S+ 0 0 98 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 -0.386 116.6 5.9 -59.8 126.0 36.6 12.6 -4.5 331 336 A G T 3> S+ 0 0 54 -2,-0.2 4,-1.8 -4,-0.1 3,-0.4 0.683 89.5 143.5 72.0 19.4 38.4 15.7 -3.1 332 337 A G H <> + 0 0 3 -3,-2.2 4,-2.1 1,-0.2 -5,-0.2 0.800 62.6 57.9 -63.2 -34.6 37.0 14.8 0.3 333 338 A T H > S+ 0 0 54 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 110.1 44.9 -61.9 -39.4 40.1 15.8 2.2 334 339 A F H > S+ 0 0 112 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.820 109.7 54.7 -73.8 -32.5 39.8 19.3 0.7 335 340 A L H X S+ 0 0 10 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.860 106.1 53.4 -66.4 -35.3 36.0 19.3 1.5 336 341 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.903 106.9 52.3 -61.8 -42.8 37.0 18.5 5.0 337 342 A F H X S+ 0 0 32 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.912 108.3 49.1 -59.5 -46.2 39.3 21.6 5.0 338 343 A L H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 110.6 52.8 -62.4 -37.4 36.4 23.8 3.8 339 344 A W H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.969 113.8 40.4 -60.2 -55.4 34.2 22.4 6.5 340 345 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -225,-0.2 0.810 113.5 54.2 -67.6 -30.8 36.7 23.1 9.3 341 346 A F H X S+ 0 0 58 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.905 108.7 50.0 -66.5 -42.0 37.7 26.5 7.8 342 347 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.932 110.9 49.0 -56.8 -48.4 34.0 27.4 7.8 343 348 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.895 109.5 53.1 -60.1 -41.1 33.8 26.3 11.5 344 349 A F H X S+ 0 0 9 -4,-2.2 4,-3.7 -233,-0.2 -1,-0.2 0.927 111.9 42.5 -62.9 -47.5 36.8 28.4 12.3 345 350 A F H X S+ 0 0 28 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.861 115.3 51.2 -66.3 -37.1 35.4 31.6 10.8 346 351 A A H < S+ 0 0 0 -4,-2.5 4,-0.3 -5,-0.2 -325,-0.3 0.859 115.6 43.2 -65.3 -35.9 32.1 30.8 12.4 347 352 A G H >X S+ 0 0 0 -4,-2.5 4,-2.4 -327,-0.2 3,-1.4 0.950 111.4 53.2 -72.2 -48.9 34.0 30.4 15.7 348 353 A L H 3X S+ 0 0 2 -4,-3.7 4,-1.7 1,-0.3 5,-0.2 0.880 104.8 52.0 -56.4 -46.8 36.2 33.4 15.4 349 354 A T H 3< S+ 0 0 3 -4,-1.9 4,-0.3 1,-0.2 -1,-0.3 0.663 115.2 45.5 -69.0 -11.8 33.5 36.0 14.7 350 355 A S H <> S+ 0 0 1 -3,-1.4 4,-1.7 -4,-0.3 -2,-0.2 0.813 106.6 54.9 -96.1 -39.2 31.7 34.7 17.9 351 356 A S H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.843 105.6 53.3 -68.3 -32.3 34.6 34.5 20.2 352 357 A I H X S+ 0 0 2 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.868 108.6 52.7 -67.4 -33.6 35.5 38.1 19.6 353 358 A A H 4 S+ 0 0 0 -4,-0.3 -2,-0.2 -5,-0.2 -1,-0.2 0.861 110.4 44.9 -66.9 -38.1 31.9 38.9 20.5 354 359 A I H < S+ 0 0 5 -4,-1.7 4,-0.3 1,-0.2 -253,-0.2 0.590 113.8 49.7 -88.9 -7.5 32.0 37.0 23.9 355 360 A M H X S+ 0 0 5 -4,-1.0 4,-1.6 -5,-0.2 3,-0.4 0.687 94.6 74.3 -94.6 -22.0 35.3 38.5 24.9 356 361 A Q H X S+ 0 0 4 -4,-1.2 4,-3.8 1,-0.2 5,-0.2 0.798 85.2 63.4 -62.7 -32.7 34.4 42.1 24.2 357 362 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.926 106.0 44.9 -59.6 -43.9 32.1 42.4 27.3 358 363 A M H > S+ 0 0 4 -3,-0.4 4,-2.0 -4,-0.3 -2,-0.2 0.902 115.3 49.3 -62.8 -41.6 35.2 41.9 29.5 359 364 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.938 110.8 48.9 -61.7 -48.1 37.1 44.3 27.3 360 365 A A H X S+ 0 0 0 -4,-3.8 4,-3.7 1,-0.2 5,-0.3 0.865 110.0 52.8 -60.2 -38.2 34.3 46.9 27.4 361 366 A F H X>S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 5,-1.0 0.917 109.2 46.9 -65.5 -44.9 34.1 46.6 31.2 362 367 A L H <5S+ 0 0 9 -4,-2.0 6,-2.7 3,-0.2 4,-0.5 0.879 120.6 40.6 -65.6 -36.4 37.8 47.2 31.8 363 368 A E H X5S+ 0 0 34 -4,-2.1 4,-0.7 4,-0.3 -2,-0.2 0.965 122.3 38.4 -72.0 -57.5 37.6 50.2 29.4 364 369 A D H <5S+ 0 0 17 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.910 131.7 21.8 -60.7 -49.5 34.3 51.6 30.5 365 370 A E T <5S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.771 132.3 33.5 -99.9 -31.8 34.6 51.0 34.3 366 371 A L T 4 - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.366 32.7-110.5 -65.9 158.5 43.3 51.5 27.4 370 375 A R H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 118.0 55.0 -58.8 -43.1 41.9 49.2 24.7 371 376 A K H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.946 112.9 40.3 -54.4 -53.3 45.3 47.6 24.4 372 377 A H H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.874 114.5 53.5 -65.7 -38.2 45.6 46.7 28.1 373 378 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.901 113.2 43.2 -65.2 -41.4 41.9 45.7 28.3 374 379 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.910 115.3 47.8 -70.0 -44.0 42.3 43.3 25.4 375 380 A L H X S+ 0 0 75 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.918 113.6 45.9 -66.7 -45.0 45.7 41.8 26.5 376 381 A W H X S+ 0 0 157 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.888 113.1 51.2 -64.6 -39.3 44.6 41.3 30.1 377 382 A T H X S+ 0 0 1 -4,-1.6 4,-2.3 -5,-0.3 5,-0.2 0.937 110.5 48.3 -62.1 -47.2 41.3 39.7 28.9 378 383 A A H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.851 109.5 55.0 -59.2 -35.9 43.2 37.4 26.6 379 384 A A H X S+ 0 0 44 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.873 108.6 46.1 -68.7 -39.8 45.5 36.5 29.5 380 385 A I H X S+ 0 0 29 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.927 116.5 44.6 -68.0 -46.0 42.6 35.5 31.8 381 386 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.923 115.1 48.8 -64.4 -44.4 41.0 33.4 29.1 382 387 A F H X S+ 0 0 54 -4,-2.8 4,-0.5 -5,-0.2 -2,-0.2 0.960 115.1 42.9 -60.7 -53.9 44.3 31.8 28.0 383 388 A F H >< S+ 0 0 132 -4,-2.4 3,-1.4 1,-0.2 4,-0.3 0.932 115.4 48.8 -57.4 -48.9 45.3 30.9 31.5 384 389 A S H >X S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.3 4,-0.7 0.787 98.1 69.8 -64.6 -28.5 41.9 29.6 32.5 385 390 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.3 -1,-0.3 0.697 80.5 76.5 -65.5 -19.5 41.6 27.5 29.3 386 391 A H H S+ 0 0 35 -3,-1.6 4,-2.1 -4,-0.3 7,-0.2 0.912 110.1 44.2 -66.4 -42.1 41.7 23.7 33.0 388 393 A V H < S+ 0 0 4 -4,-0.7 7,-0.3 1,-0.2 -2,-0.2 0.811 113.7 51.3 -73.0 -29.2 39.6 22.9 29.9 389 394 A M H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.771 123.4 25.0 -78.3 -26.8 42.6 21.6 28.0 390 395 A F H < S+ 0 0 74 -4,-1.4 -233,-2.7 -5,-0.2 2,-0.7 0.617 105.2 73.9-118.5 -19.2 43.9 19.2 30.7 391 396 A L B >< S-A 156 0A 15 -4,-2.1 3,-1.9 -235,-0.2 4,-0.5 -0.891 80.7-124.9-106.0 113.6 40.9 18.2 32.9 392 397 A N T 3 S+ 0 0 42 -237,-2.4 -3,-0.1 -2,-0.7 -2,-0.0 -0.296 91.9 7.6 -56.1 128.6 38.5 15.7 31.3 393 398 A K T 3> S+ 0 0 111 -5,-0.2 4,-2.0 1,-0.1 -1,-0.3 0.397 89.9 116.5 80.1 -2.0 34.9 17.0 31.3 394 399 A S H <> S+ 0 0 1 -3,-1.9 4,-2.3 -7,-0.2 5,-0.2 0.912 76.7 55.2 -59.6 -40.4 35.8 20.5 32.6 395 400 A L H > S+ 0 0 25 -4,-0.5 4,-2.5 -7,-0.3 -1,-0.2 0.925 106.3 50.3 -55.9 -47.3 34.5 21.8 29.3 396 401 A D H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.896 109.7 50.5 -58.6 -44.7 31.1 20.0 29.9 397 402 A E H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.906 112.7 45.1 -62.8 -45.0 30.8 21.5 33.4 398 403 A M H X>S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-1.0 0.906 111.4 53.1 -65.2 -42.8 31.5 25.1 32.2 399 404 A D H <5S+ 0 0 41 -4,-2.5 5,-0.4 -5,-0.2 -1,-0.2 0.859 110.6 49.1 -62.1 -35.5 29.2 24.7 29.2 400 405 A F H X>S+ 0 0 27 -4,-1.9 5,-2.9 3,-0.2 4,-0.8 0.972 115.5 37.7 -68.0 -56.1 26.4 23.6 31.6 401 406 A W H <>S+ 0 0 64 -4,-2.1 5,-1.4 3,-0.2 -2,-0.2 0.866 134.8 19.1 -69.7 -37.8 26.6 26.3 34.3 402 407 A A T <>S+ 0 0 0 -4,-2.2 5,-1.2 -5,-0.2 -3,-0.2 0.898 130.6 39.1 -96.2 -54.5 27.3 29.3 32.0 403 408 A G T 4S+ 0 0 0 -4,-1.6 4,-3.4 -5,-0.2 5,-0.6 0.939 110.3 48.0 -69.0 -47.3 13.8 40.9 31.1 416 421 A I H X>S+ 0 0 52 -4,-2.4 5,-2.2 1,-0.2 4,-1.9 0.932 114.5 46.8 -57.3 -48.2 12.4 41.3 34.6 417 422 A I H <>S+ 0 0 3 -4,-2.3 5,-2.6 3,-0.2 -1,-0.2 0.919 121.4 35.7 -61.0 -46.3 14.8 44.2 35.3 418 423 A F H <5S+ 0 0 0 -4,-2.2 9,-0.2 3,-0.2 -2,-0.2 0.917 129.5 29.1 -77.1 -46.4 14.1 46.0 32.0 419 424 A F H <5S+ 0 0 1 -4,-3.4 5,-0.3 -5,-0.2 -3,-0.2 0.706 132.9 27.4 -92.3 -22.5 10.4 45.3 31.5 420 425 A W T < - 0 0 21 -6,-0.2 4,-2.8 -5,-0.1 5,-0.2 0.204 17.6-125.3 120.4 119.8 9.0 50.0 33.6 424 429 A A H > S+ 0 0 7 -5,-0.3 4,-2.6 -4,-0.3 5,-0.1 0.869 113.6 46.0 -57.6 -38.4 7.3 48.2 30.8 425 430 A D H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 113.0 48.4 -76.2 -35.5 6.3 51.4 29.2 426 431 A K H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.887 115.2 46.3 -67.4 -39.6 9.7 53.0 29.6 427 432 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -9,-0.2 -2,-0.2 0.950 111.7 50.7 -67.2 -49.5 11.3 49.8 28.1 428 433 A W H X S+ 0 0 37 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.913 114.0 43.9 -53.5 -48.5 8.8 49.7 25.3 429 434 A E H X S+ 0 0 129 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.854 112.1 54.3 -67.3 -34.6 9.4 53.3 24.3 430 435 A E H < S+ 0 0 27 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.852 109.3 47.7 -68.2 -34.9 13.1 52.8 24.7 431 436 A I H < S+ 0 0 0 -4,-2.4 -161,-0.3 1,-0.2 -2,-0.2 0.914 115.5 43.4 -70.8 -43.5 13.1 49.8 22.3 432 437 A N H >< S+ 0 0 23 -4,-1.9 3,-2.5 -5,-0.2 -2,-0.2 0.717 84.6 114.6 -78.1 -22.3 11.0 51.6 19.6 433 438 A R T 3< S+ 0 0 85 -4,-1.6 -163,-0.2 1,-0.3 -162,-0.1 -0.254 90.5 4.9 -55.1 127.3 12.9 54.9 19.8 434 439 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -165,-0.1 -165,-0.2 0.507 94.4 157.7 77.2 4.3 14.7 55.6 16.5 435 440 A G < - 0 0 26 -3,-2.5 -1,-0.2 -166,-0.2 3,-0.1 -0.407 44.6-151.9 -67.8 130.6 13.2 52.5 15.0 436 441 A I S S+ 0 0 97 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.821 95.0 15.9 -64.6 -32.3 13.0 52.3 11.2 437 442 A I S S- 0 0 66 -5,-0.0 2,-0.3 -3,-0.0 -165,-0.2 -0.930 87.8-120.3-132.6 161.0 10.0 50.0 12.0 438 443 A K - 0 0 174 -2,-0.3 3,-0.1 -167,-0.1 -6,-0.0 -0.678 30.0-103.5 -99.1 156.6 8.0 49.6 15.2 439 444 A V - 0 0 7 -2,-0.3 5,-0.1 -11,-0.2 -7,-0.0 -0.636 48.7 -98.7 -74.9 131.3 7.6 46.4 17.2 440 445 A P > - 0 0 70 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.239 31.3-120.0 -49.5 136.8 4.1 44.9 16.6 441 446 A R T >> S+ 0 0 197 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.801 109.5 66.6 -52.2 -34.1 1.8 45.8 19.5 442 447 A I H >> S+ 0 0 113 1,-0.3 4,-1.4 2,-0.2 3,-0.8 0.839 90.0 64.8 -58.3 -33.5 1.3 42.2 20.3 443 448 A Y H <> S+ 0 0 34 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.624 87.7 69.4 -69.4 -13.3 4.9 41.8 21.4 444 449 A Y H <> S+ 0 0 23 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.2 0.920 105.8 39.1 -66.8 -43.1 4.4 44.2 24.2 445 450 A Y H S+ 0 0 118 -3,-0.8 4,-2.0 -4,-0.6 5,-1.4 0.783 113.9 55.6 -79.1 -28.4 2.3 41.7 26.0 446 451 A V H <>S+ 0 0 16 -4,-1.4 5,-3.1 3,-0.2 -2,-0.2 0.960 112.1 42.7 -61.9 -51.7 4.5 38.9 24.9 447 452 A M H <5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 119.6 42.8 -62.7 -41.9 7.6 40.6 26.5 448 453 A R H <5S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.836 136.9 2.4 -77.6 -34.0 5.7 41.6 29.7 449 454 A Y T X5S+ 0 0 120 -4,-2.0 4,-1.5 -5,-0.1 -3,-0.2 0.753 126.0 48.2-122.0 -47.3 3.8 38.4 30.4 450 455 A I H > S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.917 115.6 46.5 -59.2 -44.6 8.9 35.7 31.5 453 458 A A H X S+ 0 0 53 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.852 112.1 53.0 -65.3 -35.0 6.3 33.1 32.3 454 459 A F H X S+ 0 0 46 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.930 114.2 40.3 -63.6 -48.1 7.7 30.9 29.5 455 460 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.885 114.0 53.2 -70.6 -40.4 11.2 31.1 30.9 456 461 A A H X S+ 0 0 40 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.938 111.9 44.1 -62.0 -49.0 10.2 30.8 34.6 457 462 A V H X S+ 0 0 93 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.910 113.5 53.0 -61.3 -42.8 8.1 27.6 34.0 458 463 A L H X S+ 0 0 15 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.942 109.7 46.7 -56.2 -52.9 11.0 26.2 31.8 459 464 A L H X S+ 0 0 33 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.876 112.7 50.7 -59.5 -40.8 13.6 26.8 34.6 460 465 A V H X S+ 0 0 62 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.972 112.3 44.1 -62.0 -56.2 11.3 25.2 37.2 461 466 A V H X S+ 0 0 43 -4,-2.7 4,-1.6 1,-0.3 5,-0.3 0.854 115.1 51.5 -57.0 -36.3 10.6 22.1 35.2 462 467 A W H X>S+ 0 0 19 -4,-2.4 4,-1.9 -5,-0.3 5,-1.6 0.923 112.8 45.8 -61.2 -46.0 14.3 22.1 34.4 463 468 A A H <5S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.9 46.0 -68.9 -42.0 15.1 22.4 38.1 464 469 A R H <5S+ 0 0 181 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.867 126.1 23.3 -71.1 -36.2 12.6 19.7 39.4 465 470 A E H <5S+ 0 0 100 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.660 129.0 25.4-111.3 -18.9 13.4 17.0 36.9 466 471 A Y T X5S+ 0 0 76 -4,-1.9 4,-1.6 -5,-0.3 -3,-0.2 0.758 106.0 60.1-122.8 -37.9 16.9 17.3 35.4 467 472 A I H > S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.940 107.3 48.9 -64.7 -42.2 19.1 16.8 40.6 469 474 A K H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.922 114.8 44.3 -59.1 -47.4 20.2 13.9 38.4 470 475 A I H X S+ 0 0 50 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.887 114.1 49.3 -68.1 -40.1 23.1 15.8 37.0 471 476 A M H < S+ 0 0 86 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.897 115.7 42.4 -63.5 -41.9 24.2 17.2 40.3 472 477 A E H < S+ 0 0 156 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.793 112.0 50.7 -79.8 -29.7 24.1 13.9 42.1 473 478 A E H < S+ 0 0 155 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.414 82.4 115.5 -96.2 1.3 25.7 11.6 39.5 474 479 A T < - 0 0 51 -4,-0.5 2,-0.1 -3,-0.4 -3,-0.0 -0.286 69.7-105.6 -77.6 155.8 28.9 13.5 38.6 475 480 A H > - 0 0 99 1,-0.1 3,-2.0 -2,-0.0 4,-0.2 -0.469 38.0-110.0 -69.2 149.0 32.5 12.5 39.1 476 481 A W T > S+ 0 0 175 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.733 110.4 76.0 -57.5 -24.6 34.2 14.4 42.0 477 482 A T T >> S+ 0 0 10 1,-0.3 3,-1.1 2,-0.2 4,-0.9 0.651 74.3 78.8 -64.5 -15.9 36.4 16.3 39.5 478 483 A V H <> S+ 0 0 15 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.805 84.6 64.3 -59.9 -26.8 33.5 18.5 38.6 479 484 A W H <> S+ 0 0 154 -3,-1.8 4,-2.7 -4,-0.2 -1,-0.2 0.756 91.5 62.4 -71.2 -25.1 34.2 20.4 41.8 480 485 A I H <> S+ 0 0 60 -3,-1.1 4,-2.2 -4,-0.3 -1,-0.2 0.942 110.6 39.0 -60.6 -46.7 37.5 21.5 40.5 481 486 A T H X S+ 0 0 0 -4,-0.9 4,-2.8 2,-0.2 5,-0.3 0.914 115.9 50.8 -71.9 -43.6 35.7 23.4 37.7 482 487 A R H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.926 111.6 49.4 -57.8 -46.0 32.9 24.6 40.0 483 488 A F H X S+ 0 0 160 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.941 113.1 46.9 -58.3 -48.0 35.5 25.8 42.4 484 489 A Y H X S+ 0 0 60 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.935 113.5 44.6 -64.4 -47.2 37.4 27.7 39.7 485 490 A I H X S+ 0 0 4 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.763 110.4 55.7 -73.7 -23.1 34.5 29.4 38.0 486 491 A I H X S+ 0 0 105 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.885 107.2 50.6 -69.8 -39.6 33.0 30.4 41.4 487 492 A G H X S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.876 106.1 55.7 -60.2 -39.3 36.4 32.0 42.1 488 493 A L H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.909 106.7 49.6 -60.1 -41.4 36.0 33.8 38.7 489 494 A F H X S+ 0 0 40 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.904 110.9 49.6 -63.7 -40.3 32.7 35.2 39.8 490 495 A L H X S+ 0 0 113 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 109.9 52.2 -62.6 -44.2 34.3 36.4 43.0 491 496 A F H X S+ 0 0 81 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.917 111.0 45.5 -57.5 -47.5 37.1 38.0 41.0 492 497 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.868 109.8 55.1 -69.0 -35.5 34.7 39.9 38.8 493 498 A T H X S+ 0 0 44 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.898 106.8 51.8 -61.0 -39.6 32.6 40.9 41.8 494 499 A F H X S+ 0 0 112 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.850 108.0 51.5 -65.3 -34.3 35.8 42.4 43.2 495 500 A L H X S+ 0 0 18 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.880 107.8 50.9 -70.6 -38.9 36.5 44.3 40.0 496 501 A V H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.854 110.3 51.3 -64.4 -35.6 33.0 45.8 40.1 497 502 A F H X S+ 0 0 86 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.914 110.2 47.9 -65.6 -44.4 33.7 46.8 43.6 498 503 A L H X S+ 0 0 64 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.871 109.4 54.8 -64.4 -36.5 36.9 48.5 42.6 499 504 A A H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 107.0 48.8 -64.5 -42.3 35.1 50.2 39.7 500 505 A E H X S+ 0 0 24 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.848 111.4 51.3 -67.7 -32.2 32.6 51.8 42.1 501 506 A R H X S+ 0 0 103 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.932 109.9 47.7 -67.0 -47.7 35.4 53.0 44.4 502 507 A R H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.892 112.7 51.6 -59.2 -39.5 37.3 54.6 41.5 503 508 A R H X S+ 0 0 103 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.911 109.0 48.3 -64.1 -45.0 34.0 56.2 40.4 504 509 A N H X S+ 0 0 84 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.812 112.7 50.0 -67.2 -29.2 33.3 57.6 43.9 505 510 A H H X S+ 0 0 141 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.874 110.9 46.7 -76.2 -40.1 36.9 59.0 44.1 506 511 A E H X S+ 0 0 85 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.795 110.2 55.5 -72.3 -28.2 36.8 60.7 40.7 507 512 A S H < S+ 0 0 72 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.918 112.0 41.1 -69.6 -44.8 33.4 62.2 41.6 508 513 A A H < S+ 0 0 91 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.844 111.4 58.0 -70.1 -34.5 34.6 63.8 44.8 509 514 A G H < 0 0 62 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.712 360.0 360.0 -68.7 -21.1 37.8 64.8 43.1 510 515 A T < 0 0 159 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.1 0.492 360.0 360.0-133.1 360.0 35.8 66.8 40.5 511 ! 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 G 0 0 2 0, 0.0 -490,-1.7 0, 0.0 -491,-0.7 0.000 360.0 360.0 360.0 360.0 27.2 31.8 19.2