==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 03-JUL-12 4FY0 . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.WANG,E.GOUAUX . 503 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 80.7 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 . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 5.8 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 1 2 4 2 0 0 1 1 0 3 2 0 1 0 1 1 1 0 1 0 0 0 1 1 1 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 97 0, 0.0 2,-0.2 0, 0.0 261,-0.0 0.000 360.0 360.0 360.0 151.3 46.2 16.8 21.5 2 6 A E - 0 0 50 261,-0.0 2,-0.3 1,-0.0 178,-0.0 -0.582 360.0-165.4 -83.8 148.9 47.6 14.8 18.5 3 7 A H - 0 0 47 -2,-0.2 2,-0.3 260,-0.0 179,-0.2 -0.893 27.7 -91.9-134.7 161.9 45.4 14.1 15.6 4 8 A W - 0 0 5 258,-1.8 260,-0.2 -2,-0.3 178,-0.1 -0.558 32.3-143.0 -71.5 134.5 45.0 12.0 12.5 5 9 A A S S+ 0 0 68 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.988 75.7 12.9 -63.8 -63.6 46.6 13.7 9.4 6 10 A T > - 0 0 60 1,-0.1 4,-1.9 176,-0.1 -1,-0.1 -0.757 69.2-122.1-115.5 162.3 44.2 12.6 6.7 7 11 A R H > S+ 0 0 105 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.858 115.5 53.5 -68.1 -36.1 40.7 11.0 6.7 8 12 A L H > S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 106.9 51.0 -62.3 -47.5 42.1 8.1 4.6 9 13 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.908 111.0 50.1 -55.6 -44.0 44.9 7.5 7.2 10 14 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 3,-0.4 0.971 110.3 48.5 -56.6 -57.6 42.2 7.5 9.8 11 15 A I H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.895 114.0 46.5 -51.3 -46.5 40.0 5.0 7.9 12 16 A L H X S+ 0 0 25 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.795 110.9 52.3 -71.4 -29.0 43.0 2.7 7.3 13 17 A A H X S+ 0 0 3 -4,-1.9 4,-2.1 -3,-0.4 -2,-0.2 0.915 112.6 44.6 -71.1 -44.0 44.2 2.9 10.9 14 18 A M H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.902 113.4 51.0 -64.0 -42.8 40.7 1.9 12.2 15 19 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 -5,-0.3 -2,-0.2 0.918 108.9 51.3 -59.2 -44.8 40.5 -0.8 9.6 16 20 A G H < S+ 0 0 1 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.896 109.0 52.7 -58.6 -41.7 43.9 -2.0 10.8 17 21 A N H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.975 118.0 34.7 -55.3 -58.6 42.5 -2.0 14.3 18 22 A A H < S+ 0 0 3 -4,-2.7 2,-0.9 231,-0.1 4,-0.2 0.964 104.8 73.5 -63.7 -57.4 39.5 -4.1 13.4 19 23 A V S < S+ 0 0 0 -4,-3.3 2,-0.2 -5,-0.2 -1,-0.1 -0.478 74.0 116.3 -67.1 101.1 41.1 -6.4 10.7 20 24 A G S >> S- 0 0 0 485,-1.2 3,-2.1 -2,-0.9 4,-0.9 -0.566 81.3 -46.6-142.3-156.5 43.2 -8.8 12.7 21 25 A L H 3>>S+ 0 0 11 1,-0.3 4,-1.8 324,-0.2 5,-1.2 0.699 123.1 70.9 -58.3 -19.5 43.9 -12.4 13.7 22 26 A G H 34>S+ 0 0 6 -4,-0.2 5,-2.0 3,-0.2 -1,-0.3 0.753 96.4 50.6 -69.2 -24.2 40.1 -12.6 14.4 23 27 A N H <45S+ 0 0 0 -3,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.856 121.2 28.1 -81.5 -37.8 39.4 -12.4 10.7 24 28 A F H <5S+ 0 0 0 -4,-0.9 -2,-0.2 3,-0.1 268,-0.1 0.549 135.1 24.0-106.4 -10.8 41.7 -15.2 9.5 25 29 A L T X5S+ 0 0 12 -4,-1.8 4,-1.1 -5,-0.2 -3,-0.2 0.727 125.3 36.2-116.1 -57.8 41.8 -17.5 12.6 26 30 A R H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.926 115.4 46.4 -54.0 -45.1 36.7 -19.6 10.0 29 33 A V H X S+ 0 0 3 -4,-1.1 4,-2.9 2,-0.2 5,-0.3 0.948 112.6 48.1 -60.3 -52.6 36.6 -21.7 13.1 30 34 A Q H X S+ 0 0 35 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.857 114.6 47.0 -58.5 -37.2 33.5 -20.1 14.6 31 35 A A H <>S+ 0 0 1 -4,-2.6 5,-2.5 -5,-0.2 8,-0.3 0.866 113.8 46.7 -74.0 -38.1 31.7 -20.4 11.3 32 36 A A H ><5S+ 0 0 2 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.912 111.0 50.8 -70.5 -44.1 32.7 -24.0 10.7 33 37 A E H 3<5S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.785 110.5 52.2 -63.0 -27.9 31.8 -25.1 14.3 34 38 A N T 3<5S- 0 0 19 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.038 128.1 -87.8-104.0 25.9 28.4 -23.5 13.9 35 39 A G T X 5 - 0 0 29 -3,-1.3 3,-1.9 3,-0.2 2,-0.3 0.777 51.7-110.8 81.1 29.2 27.3 -25.1 10.6 36 40 A G T >>> S+ 0 0 3 186,-1.8 3,-1.1 189,-0.4 4,-1.0 0.846 115.5 64.7 -53.0 -38.9 25.8 -20.9 6.5 38 42 A A H <4 S+ 0 0 0 -3,-1.9 -1,-0.3 188,-0.4 -2,-0.2 0.814 100.9 52.7 -54.6 -31.7 23.7 -21.4 9.6 39 43 A F H <> S+ 0 0 0 -3,-1.6 4,-2.0 -8,-0.3 -1,-0.3 0.745 96.9 68.4 -77.1 -25.2 26.1 -19.2 11.4 40 44 A M H S+ 0 0 0 0, 0.0 4,-3.7 0, 0.0 5,-0.4 0.945 113.0 58.5 -52.5 -48.1 22.9 -14.5 13.2 43 47 A Y H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.882 109.7 43.5 -46.1 -46.9 26.3 -13.1 12.4 44 48 A I H X S+ 0 0 80 -4,-3.0 4,-1.8 -3,-0.4 -1,-0.2 0.943 114.0 48.9 -67.3 -48.6 24.7 -10.6 10.1 45 49 A I H >X S+ 0 0 61 -4,-2.7 4,-2.5 1,-0.2 3,-0.5 0.944 111.4 49.9 -56.9 -50.3 21.9 -9.7 12.5 46 50 A A H 3X>S+ 0 0 6 -4,-3.7 5,-1.9 1,-0.2 4,-1.5 0.848 108.6 54.7 -55.2 -35.3 24.4 -9.3 15.4 47 51 A F H 3<>S+ 0 0 30 -4,-1.5 5,-2.0 -5,-0.4 -1,-0.2 0.851 113.8 40.2 -67.6 -33.7 26.4 -7.0 13.0 48 52 A L H <<5S+ 0 0 75 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.782 124.4 35.1 -86.0 -29.6 23.4 -4.8 12.4 49 53 A L H <5S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.493 136.3 12.8-106.2 -6.0 22.0 -4.7 16.0 50 54 A V T X5S+ 0 0 4 -4,-1.5 4,-1.8 -5,-0.3 5,-0.3 0.595 121.1 50.2-133.5 -53.1 25.2 -4.8 18.0 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 116.5 46.5 -58.4 -44.4 25.6 0.9 16.9 54 58 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.874 110.1 55.0 -64.8 -38.3 28.4 0.1 19.4 55 59 A M H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.970 111.1 43.6 -55.8 -55.5 31.0 1.1 16.8 56 60 A W H X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.884 112.6 53.8 -57.7 -41.0 29.3 4.5 16.4 57 61 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.913 109.9 46.2 -61.8 -44.1 29.0 4.9 20.2 58 62 A E H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.884 111.9 51.3 -68.4 -39.6 32.7 4.2 20.8 59 63 A W H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.954 112.1 48.2 -56.8 -49.3 33.6 6.6 18.0 60 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.931 113.3 44.9 -59.2 -51.1 31.4 9.3 19.6 61 65 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.4 0.926 113.2 52.8 -59.3 -45.1 32.7 8.8 23.1 62 66 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 113.4 40.7 -55.3 -54.3 36.3 8.7 21.8 63 67 A R H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.906 114.9 54.0 -62.2 -42.8 36.0 12.0 19.9 64 68 A Y H < S+ 0 0 47 -4,-2.7 4,-0.4 -5,-0.3 3,-0.2 0.954 115.3 36.6 -56.6 -57.2 34.0 13.6 22.8 65 69 A G H ><>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 3,-1.3 0.858 113.5 59.4 -65.5 -36.0 36.5 12.8 25.5 66 70 A G H ><5S+ 0 0 3 -4,-2.3 3,-2.2 -5,-0.4 -1,-0.2 0.849 93.8 64.0 -62.0 -36.4 39.4 13.5 23.1 67 71 A A T 3<5S+ 0 0 55 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.721 106.6 45.9 -60.0 -20.0 38.2 17.0 22.5 68 72 A Q T < 5S- 0 0 95 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.099 129.0 -95.2-111.3 20.1 39.0 17.6 26.2 69 73 A G T < 5S+ 0 0 29 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.791 88.7 117.6 74.9 30.6 42.4 15.9 26.2 70 74 A H < + 0 0 45 -5,-1.9 -2,-0.2 -8,-0.2 -1,-0.2 -0.991 28.8 167.8-132.9 127.6 41.2 12.5 27.3 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 288,-0.2 190,-0.2 0.362 57.9 75.0-117.7 2.9 41.5 9.2 25.3 72 76 A T S >> S- 0 0 2 287,-0.2 4,-2.2 -7,-0.1 3,-0.7 -0.847 78.0-121.3-121.6 157.0 40.7 6.6 27.9 73 77 A T H 3> S+ 0 0 3 -2,-0.3 4,-2.5 17,-0.2 5,-0.3 0.742 103.0 69.5 -68.6 -28.3 37.5 5.4 29.7 74 78 A P H 34 S+ 0 0 5 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.905 115.0 29.0 -56.5 -37.9 38.6 6.2 33.2 75 79 A A H <> S+ 0 0 15 -3,-0.7 4,-2.1 2,-0.1 3,-0.3 0.865 120.5 52.8 -87.3 -42.2 38.3 9.9 32.4 76 80 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.915 105.3 54.0 -62.6 -45.7 35.7 9.8 29.7 77 81 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.816 110.4 50.0 -56.4 -30.6 33.2 7.8 31.9 78 82 A Y H 4 S+ 0 0 47 -5,-0.3 -2,-0.2 -4,-0.3 -1,-0.2 0.886 107.6 51.2 -76.3 -40.7 33.7 10.6 34.4 79 83 A L H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.850 117.2 41.1 -62.5 -34.5 33.1 13.3 31.9 80 84 A L H < S+ 0 0 11 -4,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.790 132.3 20.7 -82.9 -30.5 29.9 11.5 30.9 81 85 A W S < S- 0 0 74 -4,-1.6 2,-1.0 -5,-0.3 -1,-0.3 -0.925 75.2-135.9-145.7 114.8 28.9 10.7 34.5 82 86 A R + 0 0 143 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.1 -0.578 62.6 104.3 -73.6 101.1 30.2 12.5 37.6 83 87 A N S > S- 0 0 63 -2,-1.0 4,-0.9 1,-0.1 3,-0.4 -0.904 71.0-128.1-175.8 144.5 31.1 9.6 40.0 84 88 A R H >> S+ 0 0 120 -2,-0.3 4,-2.5 1,-0.2 3,-0.8 0.891 112.3 59.4 -64.9 -39.9 34.0 7.6 41.4 85 89 A F H 3> S+ 0 0 105 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.749 97.8 60.9 -61.9 -24.1 32.3 4.4 40.4 86 90 A A H 3> S+ 0 0 0 -3,-0.4 4,-1.1 2,-0.2 -1,-0.3 0.860 107.1 44.5 -69.4 -36.6 32.4 5.8 36.8 87 91 A K H < S+ 0 0 76 -4,-2.5 3,-0.7 1,-0.2 4,-0.4 0.925 112.9 44.7 -55.9 -46.6 36.3 2.4 38.7 89 93 A L H >< S+ 0 0 22 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.802 107.7 61.1 -65.8 -29.4 34.2 1.1 35.8 90 94 A G H >< S+ 0 0 0 -4,-1.1 3,-1.6 1,-0.2 -17,-0.2 0.742 86.4 74.9 -68.4 -24.1 36.5 3.1 33.5 91 95 A V T XX S+ 0 0 1 -4,-1.2 4,-2.7 -3,-0.7 3,-2.1 0.819 82.9 66.8 -59.2 -32.1 39.5 1.0 34.7 92 96 A F H <> S+ 0 0 45 -3,-0.9 4,-2.5 -4,-0.4 -1,-0.3 0.774 87.3 69.9 -59.8 -25.3 38.2 -1.9 32.6 93 97 A G H <4 S+ 0 0 3 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.511 112.4 28.7 -72.2 -5.2 39.0 0.2 29.5 94 98 A L H <> S+ 0 0 0 -3,-2.1 4,-2.2 -4,-0.1 -2,-0.2 0.614 118.3 56.1-116.7 -39.7 42.7 -0.2 30.4 95 99 A W H X S+ 0 0 21 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.945 108.7 47.8 -57.6 -52.1 42.6 -3.6 32.1 96 100 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.957 113.9 43.9 -57.8 -56.4 40.9 -5.3 29.1 97 101 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.851 115.6 50.6 -61.0 -33.5 43.3 -3.9 26.4 98 102 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.984 112.4 44.3 -65.3 -57.4 46.3 -4.7 28.6 99 103 A V H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 5,-0.2 0.912 116.8 46.7 -51.4 -48.7 45.3 -8.3 29.3 100 104 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.898 109.0 54.6 -64.3 -41.3 44.4 -8.9 25.7 101 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.4 0.919 98.7 67.0 -54.8 -44.7 47.6 -7.3 24.5 102 106 A I H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.883 116.9 19.1 -45.2 -57.1 49.6 -9.7 26.7 103 107 A Y H X S+ 0 0 8 -4,-1.1 4,-2.5 -3,-0.2 5,-0.2 0.820 118.8 64.3 -88.0 -32.7 48.7 -12.9 24.8 104 108 A Y H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -3,-0.2 0.936 102.6 49.4 -55.4 -49.6 47.7 -11.3 21.5 105 109 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.850 109.1 54.2 -59.7 -34.4 51.2 -10.0 20.9 106 110 A Y H X S+ 0 0 4 -4,-0.6 4,-2.0 -5,-0.4 -2,-0.2 0.945 108.5 46.8 -65.1 -49.1 52.6 -13.4 21.7 107 111 A I H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 110.7 54.2 -57.5 -44.8 50.4 -15.1 19.1 108 112 A E H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.932 105.2 52.5 -52.1 -48.7 51.4 -12.4 16.7 109 113 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.873 104.9 57.8 -58.9 -36.3 55.0 -13.2 17.4 110 114 A W H X S+ 0 0 13 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.979 105.7 47.8 -52.8 -58.5 54.1 -16.8 16.6 111 115 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.870 111.6 52.0 -54.2 -38.9 52.9 -15.8 13.1 112 116 A L H X S+ 0 0 21 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.970 109.9 46.7 -60.4 -55.3 56.1 -13.8 12.6 113 117 A G H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.902 113.4 49.4 -53.7 -45.7 58.4 -16.7 13.5 114 118 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.913 108.9 52.7 -60.9 -43.9 56.4 -19.0 11.3 115 119 A A H X S+ 0 0 4 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.937 111.2 47.9 -55.9 -47.6 56.6 -16.5 8.4 116 120 A I H X S+ 0 0 60 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.958 113.1 45.4 -58.6 -55.3 60.4 -16.4 8.9 117 121 A K H X>S+ 0 0 42 -4,-2.7 5,-2.5 1,-0.2 4,-1.8 0.873 114.1 49.4 -59.4 -39.4 60.9 -20.1 9.0 118 122 A F H <5S+ 0 0 5 -4,-2.6 218,-0.3 -5,-0.2 -1,-0.2 0.825 110.9 50.5 -70.2 -32.2 58.6 -20.7 6.0 119 123 A L H <5S+ 0 0 101 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.949 113.9 43.5 -67.0 -50.1 60.5 -18.0 4.0 120 124 A V H <5S- 0 0 98 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.789 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-97.9 1.0 16.9 -22.4 17.7 234 240 A D X> - 0 0 61 -3,-1.6 3,-1.2 1,-0.2 4,-1.0 -0.832 59.2-162.4 -94.3 108.2 20.4 -23.0 19.2 235 241 A P H 3> S+ 0 0 84 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.843 87.6 68.0 -56.1 -35.0 21.3 -20.1 21.5 236 242 A G H 3> S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.819 95.9 54.0 -55.4 -35.3 24.9 -21.2 21.3 237 243 A V H <> S+ 0 0 0 -3,-1.2 4,-2.2 -6,-0.3 -1,-0.2 0.900 110.4 45.6 -66.7 -42.2 25.0 -20.1 17.7 238 244 A W H X S+ 0 0 87 -4,-1.0 4,-2.8 -3,-0.3 -2,-0.2 0.902 113.0 50.0 -67.5 -42.8 23.7 -16.6 18.5 239 245 A I H X S+ 0 0 37 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.916 111.7 49.0 -60.0 -44.3 26.2 -16.3 21.5 240 246 A A H X S+ 0 0 16 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.899 110.8 50.9 -62.4 -42.0 29.0 -17.3 19.1 241 247 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.956 111.9 45.7 -60.5 -52.8 27.9 -14.8 16.6 242 248 A V H X S+ 0 0 24 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.932 112.1 51.8 -56.5 -49.4 27.8 -11.9 19.1 243 249 A G H X S+ 0 0 12 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.901 109.9 50.0 -53.4 -43.5 31.2 -13.0 20.5 244 250 A Q H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.884 109.5 51.1 -64.6 -39.8 32.6 -12.9 17.0 245 251 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 6,-0.3 0.968 111.7 46.7 -61.6 -53.2 31.2 -9.5 16.3 246 252 A F H X>S+ 0 0 2 -4,-2.8 5,-1.9 2,-0.2 4,-0.6 0.942 116.4 45.2 -51.2 -53.6 32.7 -8.1 19.5 247 253 A A H ><5S+ 0 0 11 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.961 116.1 43.5 -57.4 -56.3 36.0 -9.7 18.8 248 254 A T H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 116.0 46.2 -64.0 -36.6 36.3 -8.7 15.1 249 255 A L H 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.445 106.6-123.3 -88.2 1.5 35.1 -5.1 15.5 250 256 A S T X<5 + 0 0 0 -3,-1.2 3,-0.7 -4,-0.6 6,-0.7 0.838 53.0 165.2 61.3 33.5 37.4 -4.5 18.5 251 257 A L T 3 < + 0 0 0 -5,-1.9 -1,-0.2 -6,-0.3 159,-0.1 -0.657 59.5 16.0 -85.5 136.2 34.3 -3.6 20.6 252 258 A G T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 157,-0.1 157,-0.1 0.394 98.9 99.7 85.1 -3.1 34.6 -3.4 24.3 253 259 A F S < S- 0 0 7 -3,-0.7 -2,-0.1 -7,-0.2 -153,-0.1 0.654 87.4-129.3 -86.7 -18.3 38.4 -3.3 24.1 254 260 A G S > S+ 0 0 3 -4,-0.3 4,-1.4 -158,-0.1 -3,-0.1 0.476 82.0 108.3 81.5 2.6 38.6 0.4 24.5 255 261 A A H > S+ 0 0 0 -5,-0.4 4,-2.7 2,-0.2 5,-0.3 0.934 72.0 52.4 -76.3 -49.2 40.8 0.7 21.4 256 262 A I H > S+ 0 0 2 -6,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.900 110.2 51.0 -52.6 -44.3 38.2 2.2 19.1 257 263 A I H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.933 109.7 48.7 -60.0 -48.5 37.6 4.9 21.7 258 264 A T H < S+ 0 0 2 -4,-1.4 4,-0.3 1,-0.2 3,-0.2 0.893 113.2 46.8 -61.7 -42.7 41.3 5.7 22.1 259 265 A Y H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.894 110.7 53.6 -63.9 -39.0 41.7 6.0 18.3 260 266 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 -5,-0.3 -1,-0.2 0.728 93.9 70.7 -68.7 -22.9 38.6 8.1 18.1 261 267 A S T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.675 93.7 56.9 -68.7 -15.7 40.1 10.5 20.7 262 268 A Y T < S+ 0 0 2 -3,-1.4 -258,-1.8 -4,-0.3 2,-0.5 0.248 83.6 103.5 -99.3 10.7 42.6 11.6 18.1 263 269 A V S < S- 0 0 2 -3,-1.7 -197,-0.1 -260,-0.2 -196,-0.1 -0.842 84.9-106.0 -92.9 125.6 39.8 12.6 15.7 264 270 A R > - 0 0 122 -2,-0.5 3,-1.1 -260,-0.2 -2,-0.1 -0.176 29.1-114.5 -52.5 139.7 39.3 16.4 15.5 265 271 A K T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -4,-0.1 -198,-0.1 0.766 114.4 43.0 -47.3 -33.6 36.1 17.5 17.4 266 272 A D T 3 S+ 0 0 108 2,-0.1 -1,-0.3 167,-0.0 -2,-0.1 0.725 90.6 103.5 -90.1 -23.9 34.5 18.7 14.1 267 273 A Q S < S- 0 0 51 -3,-1.1 2,-0.2 1,-0.1 167,-0.1 -0.126 78.8 -98.1 -62.0 156.9 35.5 15.8 11.8 268 274 A D + 0 0 10 1,-0.1 166,-0.2 166,-0.1 -1,-0.1 -0.516 37.2 171.8 -78.0 141.8 32.9 13.1 10.8 269 275 A I > + 0 0 0 161,-0.3 4,-2.2 163,-0.3 5,-0.3 0.519 68.8 69.3-120.0 -18.4 32.8 9.8 12.6 270 276 A V H > S+ 0 0 0 160,-0.2 4,-2.7 2,-0.2 5,-0.2 0.994 107.7 31.1 -66.4 -65.8 29.6 8.3 11.1 271 277 A L H > S+ 0 0 40 165,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 122.1 53.0 -62.5 -38.8 30.7 7.7 7.5 272 278 A S H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.972 112.1 43.0 -59.9 -56.9 34.3 7.0 8.7 273 279 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.925 113.5 52.2 -54.9 -49.0 33.3 4.4 11.3 274 280 A L H X S+ 0 0 52 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.892 110.0 49.7 -55.8 -42.1 30.8 2.8 8.9 275 281 A T H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.915 110.8 49.0 -64.6 -44.6 33.5 2.5 6.3 276 282 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.947 113.1 46.9 -59.5 -49.7 36.0 0.9 8.7 277 283 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.920 112.3 50.0 -58.6 -46.4 33.4 -1.6 9.9 278 284 A T H X S+ 0 0 53 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.906 109.4 51.7 -60.3 -43.1 32.4 -2.4 6.3 279 285 A L H X S+ 0 0 41 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.919 109.6 50.7 -58.1 -45.2 36.0 -2.9 5.4 280 286 A N H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.912 110.4 48.5 -59.7 -44.7 36.4 -5.3 8.3 281 287 A E H X>S+ 0 0 19 -4,-2.5 4,-2.5 2,-0.2 5,-0.6 0.907 111.1 50.0 -64.2 -42.8 33.4 -7.3 7.3 282 288 A K H X>S+ 0 0 117 -4,-2.6 4,-1.4 1,-0.2 5,-1.2 0.933 111.9 48.7 -58.5 -46.6 34.6 -7.6 3.7 283 289 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 3,-0.2 -1,-0.2 0.819 118.4 42.0 -62.2 -31.3 38.0 -8.7 5.0 284 290 A E H <>S+ 0 0 0 -4,-1.7 5,-1.6 3,-0.2 -2,-0.2 0.976 122.7 28.4 -83.7 -63.0 36.3 -11.3 7.3 285 291 A V H <5S+ 0 0 21 -4,-2.5 -3,-0.2 3,-0.2 -2,-0.1 0.821 132.3 34.6 -72.2 -31.6 33.4 -12.9 5.4 286 292 A I T < > S+ 0 0 0 -3,-0.8 4,-1.6 -4,-0.3 5,-0.2 0.794 112.0 29.4-108.5 -72.9 41.0 -19.3 2.6 292 298 A S H X S+ 0 0 1 -4,-0.7 4,-2.8 2,-0.2 3,-0.2 0.960 123.1 41.5 -60.2 -61.2 41.2 -21.8 5.5 293 299 A I H > S+ 0 0 4 -5,-0.3 4,-3.0 1,-0.2 5,-0.3 0.928 114.2 50.7 -57.3 -51.5 37.8 -23.5 5.3 294 300 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -74,-0.3 0.857 114.2 46.5 -56.2 -35.0 37.7 -23.8 1.5 295 301 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.2 5,-0.2 0.934 112.1 48.2 -73.0 -48.4 41.2 -25.4 1.5 296 302 A A H X>S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.6 0.942 115.5 45.6 -54.4 -50.3 40.5 -27.8 4.4 297 303 A V H X5S+ 0 0 1 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.852 109.0 58.4 -60.6 -35.7 37.3 -28.8 2.7 298 304 A A H <5S+ 0 0 0 -4,-1.5 -86,-0.4 -5,-0.3 -83,-0.4 0.885 117.7 29.3 -63.0 -39.9 39.2 -29.1 -0.6 299 305 A F H <5S+ 0 0 37 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.867 138.4 17.2 -90.4 -40.1 41.7 -31.6 0.8 300 306 A F H X5S- 0 0 32 -4,-2.9 4,-0.6 -5,-0.2 -3,-0.2 0.443 104.5-116.4-115.5 -4.7 39.7 -33.6 3.4 301 307 A G H X< - 0 0 14 -4,-1.3 4,-2.2 -5,-0.6 -1,-0.2 -0.044 40.1 -65.0 85.3 167.7 36.1 -32.8 2.6 302 308 A V H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 128.5 49.9 -56.2 -56.8 33.4 -30.9 4.6 303 309 A A H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 115.1 42.8 -51.2 -54.2 33.1 -33.4 7.5 304 310 A N H X S+ 0 0 92 -4,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.849 111.0 57.1 -63.3 -35.2 36.8 -33.6 8.2 305 311 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.933 109.4 45.1 -59.2 -46.4 37.1 -29.8 7.7 306 312 A V H X S+ 0 0 29 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.879 111.2 53.5 -65.2 -39.5 34.5 -29.3 10.5 307 313 A A H X S+ 0 0 56 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.927 110.8 46.1 -60.1 -46.3 36.3 -31.9 12.7 308 314 A I H X S+ 0 0 18 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.883 110.2 54.3 -63.2 -40.4 39.6 -30.1 12.3 309 315 A A H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.912 109.9 46.5 -59.9 -43.5 37.8 -26.8 13.0 310 316 A K H 3< S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.759 98.0 73.6 -69.8 -25.0 36.4 -28.2 16.3 311 317 A A H 3< S- 0 0 69 -4,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.835 117.6 -60.4 -57.8 -33.9 39.9 -29.6 17.1 312 318 A G << - 0 0 21 -4,-0.8 4,-0.5 -3,-0.7 -1,-0.2 -0.909 38.2-100.3 164.9 169.8 41.0 -26.1 17.9 313 319 A A S >> S+ 0 0 45 -2,-0.3 4,-1.0 2,-0.2 3,-0.7 0.943 120.1 37.6 -77.6 -51.5 41.5 -22.5 16.7 314 320 A F H 3>>S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.6 0.709 103.0 74.8 -74.0 -20.9 45.3 -22.7 16.1 315 321 A N H 3>>S+ 0 0 30 1,-0.2 5,-2.7 3,-0.2 4,-0.6 0.849 101.0 41.9 -59.6 -34.5 45.0 -26.2 14.8 316 322 A L H <4>S+ 0 0 3 -3,-0.7 5,-2.1 -4,-0.5 -1,-0.2 0.886 121.9 36.3 -81.4 -42.2 43.5 -24.9 11.5 317 323 A G H <5S+ 0 0 1 -4,-1.0 -2,-0.2 3,-0.2 -3,-0.1 0.845 127.7 31.1 -82.3 -36.0 45.8 -21.9 10.9 318 324 A F H <5S+ 0 0 1 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.630 134.2 18.3-100.9 -17.4 49.1 -23.1 12.2 319 325 A I T X S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 111.9 53.9 -63.4 -35.9 50.4 -25.2 6.0 323 329 A A H X S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.871 109.6 48.0 -63.5 -38.4 50.3 -29.0 5.8 324 330 A I H >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.921 110.2 52.2 -64.8 -45.4 47.8 -28.6 2.9 325 331 A F H >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.3 -2,-0.2 0.873 98.9 64.2 -58.5 -39.3 50.1 -26.1 1.3 326 332 A S H 3< S+ 0 0 34 -4,-2.2 -1,-0.3 1,-0.3 5,-0.2 0.739 95.2 60.8 -59.3 -22.3 53.1 -28.5 1.5 327 333 A Q T << S+ 0 0 75 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.3 0.350 98.9 72.0 -88.6 6.0 51.2 -30.8 -0.8 328 334 A T S X S- 0 0 26 -3,-2.4 3,-1.7 -4,-0.1 2,-0.4 -0.784 97.2 -86.4-118.0 163.7 51.2 -28.2 -3.6 329 335 A A T 3 S+ 0 0 94 1,-0.3 -2,-0.1 -2,-0.3 -3,-0.0 -0.549 116.6 3.2 -70.7 123.7 53.8 -26.7 -5.9 330 336 A G T 3> S+ 0 0 57 -2,-0.4 4,-1.8 -4,-0.1 -1,-0.3 0.771 87.2 148.0 69.9 26.7 55.5 -23.8 -4.1 331 337 A G H <> + 0 0 3 -3,-1.7 4,-2.2 1,-0.2 -5,-0.2 0.749 63.4 59.2 -65.8 -25.7 53.4 -24.6 -1.1 332 338 A T H > S+ 0 0 47 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.953 106.7 44.8 -68.0 -51.0 56.2 -23.4 1.3 333 339 A F H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.886 111.6 55.8 -57.6 -39.2 56.3 -19.9 -0.2 334 340 A L H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.931 106.1 49.9 -59.0 -47.8 52.5 -20.0 -0.1 335 341 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.947 107.5 54.8 -53.3 -50.8 52.7 -20.8 3.6 336 342 A F H X S+ 0 0 30 -4,-2.6 4,-2.1 -218,-0.3 -2,-0.2 0.890 107.9 48.7 -51.1 -45.2 55.1 -17.8 4.0 337 343 A L H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.931 110.1 52.9 -61.5 -45.7 52.5 -15.5 2.4 338 344 A W H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.955 113.6 41.2 -51.2 -56.2 49.8 -16.9 4.7 339 345 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -224,-0.2 0.785 112.8 54.2 -68.8 -29.1 51.8 -16.2 7.9 340 346 A F H X S+ 0 0 57 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.948 109.2 48.4 -67.9 -49.3 53.0 -12.9 6.7 341 347 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.954 111.6 50.1 -49.0 -55.3 49.5 -11.8 6.1 342 348 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.873 108.9 54.4 -52.5 -39.6 48.6 -13.1 9.5 343 349 A F H X S+ 0 0 10 -4,-1.9 4,-2.9 -232,-0.2 -2,-0.2 0.951 110.0 42.5 -64.5 -52.7 51.5 -11.1 10.9 344 350 A F H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.936 113.3 54.9 -58.2 -45.1 50.5 -7.7 9.5 345 351 A A H < S+ 0 0 0 -4,-2.7 -324,-0.2 -5,-0.3 -1,-0.2 0.882 112.9 43.0 -53.8 -42.2 46.9 -8.4 10.5 346 352 A G H >X S+ 0 0 0 -4,-2.1 4,-2.4 -326,-0.2 3,-1.7 0.953 112.6 50.6 -69.6 -52.1 48.1 -9.0 14.0 347 353 A L H 3X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.3 5,-0.3 0.916 104.0 57.0 -53.2 -51.3 50.5 -6.1 14.3 348 354 A T H 3< S+ 0 0 4 -4,-2.6 -1,-0.3 1,-0.2 4,-0.2 0.598 114.9 41.5 -60.3 -9.4 48.0 -3.5 13.1 349 355 A S H <> S+ 0 0 0 -3,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.753 108.3 56.3-104.9 -39.5 45.8 -4.6 16.0 350 356 A S H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 3,-0.3 0.923 105.5 52.3 -60.7 -46.0 48.4 -5.0 18.7 351 357 A I H >X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 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