==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 23-NOV-11 3USM . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.WANG,J.ELFERICH,E.GOUAUX . 503 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 80.3 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 . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 5.4 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 0 3 2 3 2 0 0 1 1 1 1 2 1 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 0.000 360.0 360.0 360.0 147.8 45.9 16.7 21.4 2 6 A E - 0 0 49 261,-0.0 2,-0.3 262,-0.0 178,-0.0 -0.518 360.0-167.5 -78.6 148.4 47.3 14.6 18.6 3 7 A H - 0 0 46 -2,-0.2 2,-0.2 260,-0.0 179,-0.2 -0.903 29.0 -90.2-135.3 161.5 45.0 14.0 15.6 4 8 A W - 0 0 4 258,-1.4 260,-0.2 -2,-0.3 178,-0.1 -0.534 32.1-142.2 -69.8 135.8 44.8 11.8 12.4 5 9 A A S S+ 0 0 71 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.948 76.2 11.0 -66.6 -51.8 46.4 13.5 9.4 6 10 A T > - 0 0 58 1,-0.1 4,-1.7 176,-0.1 -1,-0.1 -0.839 68.5-119.9-127.9 163.9 44.0 12.5 6.7 7 11 A R H > S+ 0 0 116 -2,-0.3 4,-2.7 2,-0.2 5,-0.1 0.880 114.9 53.2 -68.6 -39.2 40.6 10.8 6.5 8 12 A L H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.938 108.2 49.3 -60.1 -49.0 42.0 7.9 4.5 9 13 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 110.7 51.5 -59.0 -39.1 44.7 7.3 7.1 10 14 A L H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.957 110.5 47.9 -59.8 -52.4 42.0 7.3 9.8 11 15 A I H X S+ 0 0 14 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.913 114.3 45.5 -55.8 -47.4 39.9 4.8 7.9 12 16 A L H X S+ 0 0 24 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.788 111.6 53.2 -70.9 -27.3 42.9 2.5 7.3 13 17 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.927 112.7 42.9 -71.4 -46.0 44.0 2.8 10.9 14 18 A M H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.889 114.6 51.0 -64.0 -40.6 40.5 1.8 12.2 15 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.832 108.8 51.7 -66.6 -33.1 40.3 -0.9 9.6 16 20 A G H < S+ 0 0 2 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.857 109.0 51.9 -68.6 -36.4 43.7 -2.1 10.8 17 21 A N H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.979 118.4 35.2 -60.6 -58.1 42.3 -2.1 14.3 18 22 A A H < S+ 0 0 1 -4,-2.8 4,-0.2 487,-0.1 2,-0.2 0.990 105.7 70.7 -59.3 -67.2 39.3 -4.2 13.3 19 23 A V S < S+ 0 0 0 -4,-2.3 2,-0.2 486,-0.2 329,-0.1 -0.365 74.8 100.6 -62.5 123.7 40.8 -6.5 10.7 20 24 A G S >> S- 0 0 0 -2,-0.2 3,-2.5 260,-0.1 4,-1.0 -0.859 84.3 -30.4-173.6-160.5 43.2 -9.0 12.4 21 25 A L H 3>>S+ 0 0 10 1,-0.3 4,-1.4 -2,-0.2 5,-1.1 0.754 122.5 67.9 -52.2 -27.8 43.7 -12.5 13.7 22 26 A G H 34>S+ 0 0 0 483,-2.7 5,-2.2 -4,-0.2 -1,-0.3 0.798 100.8 48.8 -62.4 -29.2 40.0 -12.7 14.5 23 27 A N H <45S+ 0 0 0 -3,-2.5 -2,-0.2 482,-0.2 -1,-0.2 0.919 119.5 31.5 -77.5 -47.3 39.2 -12.7 10.8 24 28 A F H <5S+ 0 0 0 -4,-1.0 -2,-0.2 3,-0.1 -1,-0.1 0.467 135.9 20.0 -95.8 -2.7 41.6 -15.4 9.5 25 29 A L T X5S+ 0 0 12 -4,-1.4 4,-1.5 -5,-0.2 -3,-0.2 0.627 124.2 38.9-126.4 -64.6 41.6 -17.6 12.6 26 30 A R H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.918 115.2 46.2 -52.8 -44.4 36.7 -19.8 10.2 29 33 A V H X S+ 0 0 4 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.951 112.9 47.9 -62.4 -52.4 36.6 -21.9 13.4 30 34 A Q H X S+ 0 0 34 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.919 115.3 45.1 -55.4 -47.7 33.4 -20.2 14.8 31 35 A A H <>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 8,-0.3 0.890 114.1 49.1 -65.7 -41.1 31.6 -20.6 11.4 32 36 A A H ><5S+ 0 0 2 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.921 111.6 47.7 -65.6 -45.5 32.7 -24.2 10.9 33 37 A E H 3<5S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 111.3 53.3 -63.9 -30.8 31.7 -25.3 14.4 34 38 A N T 3<5S- 0 0 21 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.315 125.7 -92.2 -93.3 7.1 28.3 -23.7 14.1 35 39 A G T X 5 - 0 0 32 -3,-1.2 3,-1.4 -4,-0.2 2,-0.3 0.754 50.2-103.5 94.0 26.1 27.3 -25.3 10.8 36 40 A G T >>> S+ 0 0 3 186,-1.8 4,-1.1 189,-0.5 3,-0.8 0.804 116.9 67.8 -50.6 -34.4 25.6 -21.0 6.6 38 42 A A H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 188,-0.3 -2,-0.2 0.831 101.5 48.3 -55.8 -33.7 23.6 -21.7 9.7 39 43 A F H <> S+ 0 0 0 -3,-1.9 4,-1.4 -8,-0.3 -1,-0.3 0.713 100.2 68.8 -77.8 -23.7 26.0 -19.4 11.5 40 44 A M H S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.851 114.3 56.6 -56.5 -32.2 22.8 -14.9 13.3 43 47 A Y H X S+ 0 0 2 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.906 109.2 43.3 -65.6 -42.8 26.1 -13.4 12.3 44 48 A I H X S+ 0 0 78 -4,-2.8 4,-1.7 -3,-0.3 3,-0.3 0.947 114.7 48.5 -70.1 -49.1 24.6 -10.8 10.0 45 49 A I H >X S+ 0 0 60 -4,-2.7 4,-3.0 1,-0.3 3,-0.6 0.942 110.7 51.5 -53.6 -50.8 21.8 -9.9 12.3 46 50 A A H 3X>S+ 0 0 6 -4,-2.6 5,-1.8 -5,-0.3 4,-1.1 0.809 108.0 54.2 -56.7 -31.3 24.3 -9.5 15.2 47 51 A F H 3<>S+ 0 0 30 -4,-1.2 5,-1.9 -3,-0.3 -1,-0.3 0.844 113.8 40.5 -71.0 -34.9 26.2 -7.3 12.8 48 52 A L H <<5S+ 0 0 76 -4,-1.7 -2,-0.2 -3,-0.6 -3,-0.2 0.887 123.6 35.3 -80.2 -42.7 23.2 -5.0 12.2 49 53 A L H <5S+ 0 0 66 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.551 136.5 13.5 -92.5 -9.1 21.8 -4.9 15.7 50 54 A V T X5S+ 0 0 7 -4,-1.1 4,-2.3 -5,-0.3 5,-0.3 0.639 119.7 49.6-128.6 -63.3 25.0 -4.9 17.7 51 55 A G H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.903 117.1 45.8 -58.6 -43.0 25.4 0.7 16.7 54 58 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.854 110.6 54.7 -67.3 -36.2 28.1 -0.1 19.2 55 59 A M H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.967 111.7 43.3 -58.5 -53.9 30.7 1.0 16.6 56 60 A W H X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.907 113.1 52.8 -58.2 -44.6 29.1 4.4 16.2 57 61 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.905 110.7 46.9 -58.2 -43.1 28.6 4.7 19.9 58 62 A E H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.868 111.1 51.0 -70.5 -37.8 32.3 4.1 20.6 59 63 A W H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.949 112.8 47.6 -58.7 -48.4 33.3 6.5 17.8 60 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.933 113.8 44.7 -61.0 -51.1 31.1 9.1 19.4 61 65 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.929 113.9 52.4 -58.6 -45.7 32.3 8.6 22.9 62 66 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.946 113.4 40.6 -55.8 -55.1 35.9 8.5 21.7 63 67 A R H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.900 114.0 55.0 -62.3 -42.1 35.7 11.8 19.8 64 68 A Y H X S+ 0 0 47 -4,-2.7 4,-0.7 -5,-0.3 -2,-0.2 0.932 114.2 39.1 -56.3 -50.6 33.7 13.4 22.6 65 69 A G H ><>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 3,-0.9 0.877 112.0 58.3 -67.7 -38.6 36.3 12.6 25.2 66 70 A G H ><5S+ 0 0 3 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 0.837 96.6 61.8 -62.2 -35.2 39.2 13.3 22.9 67 71 A A H 3<5S+ 0 0 53 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.832 108.4 43.7 -58.9 -32.7 37.9 16.9 22.4 68 72 A Q T <<5S- 0 0 96 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.368 128.4 -97.8 -95.5 3.0 38.4 17.4 26.1 69 73 A G T < 5S+ 0 0 25 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.713 87.2 117.8 90.6 23.4 41.8 15.7 26.1 70 74 A H < + 0 0 46 -5,-2.6 -2,-0.2 -8,-0.1 -1,-0.2 -0.971 28.2 169.1-127.8 119.0 40.7 12.2 27.3 71 75 A G + 0 0 0 -2,-0.5 2,-0.3 288,-0.3 190,-0.2 0.432 58.5 74.3-105.4 -1.8 41.1 9.1 25.2 72 76 A T S >> S- 0 0 1 287,-0.2 4,-2.2 -7,-0.1 3,-0.7 -0.838 79.5-120.4-119.5 154.4 40.3 6.5 27.8 73 77 A T H 3> S+ 0 0 3 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.781 103.4 68.8 -61.0 -35.0 37.1 5.2 29.5 74 78 A P H 34 S+ 0 0 5 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.935 114.5 29.8 -51.3 -45.3 38.1 6.0 33.1 75 79 A A H <> S+ 0 0 13 -3,-0.7 4,-1.9 2,-0.2 3,-0.3 0.895 120.5 52.4 -78.5 -44.4 37.9 9.7 32.3 76 80 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 5,-0.3 0.913 105.1 54.0 -61.9 -46.8 35.2 9.6 29.6 77 81 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.820 110.5 50.4 -55.1 -31.1 32.8 7.6 31.7 78 82 A Y H 4 S+ 0 0 49 -4,-0.5 -1,-0.2 -5,-0.4 -2,-0.2 0.847 108.0 50.9 -77.7 -35.9 33.3 10.4 34.2 79 83 A L H < S+ 0 0 20 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.8 40.9 -65.6 -38.9 32.6 13.1 31.7 80 84 A L H < S+ 0 0 12 -4,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.850 133.8 16.1 -78.0 -36.5 29.4 11.4 30.6 81 85 A W S < S- 0 0 75 -4,-2.0 2,-1.0 -5,-0.3 -1,-0.3 -0.996 77.0-132.2-140.2 131.5 28.3 10.5 34.1 82 86 A R + 0 0 138 -2,-0.4 2,-0.3 -3,-0.2 -4,-0.1 -0.742 59.1 106.6 -92.6 106.1 29.7 12.0 37.3 83 87 A N > - 0 0 65 -2,-1.0 4,-0.6 1,-0.1 -2,-0.1 -0.967 68.2-128.5-162.9 160.7 30.6 9.2 39.8 84 88 A R H >> S+ 0 0 116 -2,-0.3 4,-2.5 2,-0.2 3,-0.6 0.836 114.1 58.4 -78.4 -36.5 33.6 7.4 41.2 85 89 A F H 3> S+ 0 0 109 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.754 97.7 61.1 -63.2 -25.3 31.9 4.1 40.2 86 90 A A H 3> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.873 107.7 43.7 -67.5 -38.0 31.9 5.5 36.6 87 91 A K H < S+ 0 0 22 -4,-2.2 3,-1.3 1,-0.2 4,-0.3 0.842 107.1 61.2 -69.4 -33.7 33.8 0.8 35.6 90 94 A G H >< S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.3 -17,-0.2 0.763 85.1 77.1 -63.1 -26.2 36.1 2.8 33.2 91 95 A V T >X S+ 0 0 1 -4,-1.4 4,-2.7 -3,-0.3 3,-1.8 0.806 83.2 66.0 -54.7 -30.5 39.0 0.8 34.5 92 96 A F H <> S+ 0 0 42 -3,-1.3 4,-2.4 -4,-0.3 -1,-0.3 0.812 86.4 68.0 -63.2 -30.5 37.8 -2.1 32.2 93 97 A G H <4 S+ 0 0 3 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.554 114.4 31.3 -66.3 -6.9 38.6 0.0 29.2 94 98 A L H <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.2 -2,-0.2 0.715 117.5 51.8-109.3 -59.0 42.2 -0.5 30.2 95 99 A W H X S+ 0 0 21 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.890 110.2 51.1 -46.8 -49.0 42.2 -3.9 31.9 96 100 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.966 112.5 42.0 -59.3 -57.5 40.5 -5.5 28.9 97 101 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.839 117.0 50.5 -61.2 -32.6 42.8 -4.3 26.1 98 102 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.972 112.4 44.5 -67.1 -54.9 45.9 -4.9 28.3 99 103 A V H X S+ 0 0 0 -4,-2.9 4,-1.1 -5,-0.2 5,-0.2 0.923 117.2 45.9 -53.7 -49.5 44.9 -8.5 29.2 100 104 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 3,-0.3 0.920 109.9 54.8 -61.5 -44.2 44.0 -9.2 25.6 101 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.879 98.1 66.5 -55.9 -39.9 47.2 -7.6 24.3 102 106 A I H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.914 116.2 21.8 -50.8 -56.4 49.2 -9.9 26.6 103 107 A Y H X S+ 0 0 3 -4,-1.1 4,-2.4 -3,-0.3 3,-0.3 0.840 118.7 63.5 -81.4 -35.2 48.4 -13.1 24.8 104 108 A Y H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.925 102.4 48.9 -55.9 -48.5 47.4 -11.6 21.5 105 109 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.814 109.2 55.2 -63.2 -28.9 50.9 -10.2 20.9 106 110 A Y H X S+ 0 0 4 -4,-0.5 4,-1.9 -5,-0.3 -2,-0.2 0.925 107.5 47.1 -69.3 -45.6 52.3 -13.6 21.7 107 111 A I H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.907 110.8 54.4 -59.7 -40.9 50.1 -15.3 19.1 108 112 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 105.1 52.0 -57.5 -44.8 51.3 -12.5 16.7 109 113 A S H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.860 106.5 56.2 -62.3 -33.8 54.9 -13.4 17.5 110 114 A W H X S+ 0 0 12 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.976 106.7 47.5 -56.4 -56.6 53.9 -17.0 16.6 111 115 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 232,-0.2 0.866 112.8 50.7 -55.7 -38.1 52.7 -15.9 13.2 112 116 A L H X S+ 0 0 20 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.963 110.3 47.1 -63.4 -53.8 55.9 -13.9 12.7 113 117 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.928 113.4 48.8 -53.6 -49.6 58.2 -16.8 13.7 114 118 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.902 108.9 54.1 -57.5 -42.7 56.3 -19.2 11.4 115 119 A A H X S+ 0 0 5 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.934 111.1 46.1 -56.7 -47.2 56.5 -16.6 8.6 116 120 A I H X S+ 0 0 61 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.955 113.6 46.3 -60.9 -53.8 60.3 -16.5 9.0 117 121 A K H X>S+ 0 0 42 -4,-2.8 5,-2.4 1,-0.2 4,-1.1 0.855 114.4 48.5 -60.8 -36.3 60.8 -20.2 9.2 118 122 A F H <5S+ 0 0 5 -4,-2.6 218,-0.2 -5,-0.2 -1,-0.2 0.835 112.1 49.9 -72.7 -33.1 58.6 -20.7 6.1 119 123 A L H <5S+ 0 0 103 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.968 113.4 43.4 -66.4 -54.6 60.4 -18.0 4.2 120 124 A V H <5S- 0 0 100 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.755 117.8-118.9 -63.3 -23.8 63.9 -19.5 5.0 121 125 A G T <5 + 0 0 40 -4,-1.1 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0 22 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.933 112.0 50.8 -59.4 -48.6 27.6 -12.1 18.9 243 249 A G H X S+ 0 0 5 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.900 110.6 49.8 -55.5 -43.3 30.9 -13.0 20.5 244 250 A Q H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.905 109.5 51.3 -62.9 -42.9 32.5 -13.0 17.1 245 251 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 6,-0.3 0.929 112.5 46.5 -60.1 -46.3 30.9 -9.7 16.2 246 252 A F H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 4,-0.4 0.952 116.5 43.5 -59.0 -52.3 32.3 -8.2 19.4 247 253 A F H ><5S+ 0 0 11 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.921 115.0 46.5 -63.1 -47.7 35.8 -9.6 19.0 248 254 A T H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.8 46.7 -68.8 -35.5 36.2 -8.9 15.3 249 255 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.420 109.3-120.8 -87.2 1.5 35.0 -5.3 15.4 250 256 A S T X 5 + 0 0 0 -3,-0.9 6,-0.8 -4,-0.4 3,-0.7 0.828 55.1 163.7 62.4 32.9 37.2 -4.5 18.4 251 257 A L T 3 < + 0 0 0 -5,-2.2 -1,-0.2 -6,-0.3 159,-0.2 -0.696 60.0 16.0 -86.9 132.3 34.0 -3.6 20.4 252 258 A G T 3 S+ 0 0 0 -2,-0.4 -1,-0.2 157,-0.1 157,-0.1 0.418 97.8 99.7 89.1 -0.8 34.3 -3.5 24.2 253 259 A F S < S- 0 0 0 -3,-0.7 -2,-0.1 -7,-0.2 -153,-0.1 0.491 88.2-128.2 -92.1 -5.6 38.1 -3.4 24.0 254 260 A G S > S+ 0 0 2 -4,-0.2 4,-1.7 152,-0.1 5,-0.1 0.486 84.2 108.9 69.6 1.4 38.2 0.4 24.5 255 261 A A H > S+ 0 0 0 -5,-0.4 4,-2.8 2,-0.2 5,-0.3 0.940 71.8 50.2 -73.2 -50.3 40.4 0.5 21.4 256 262 A I H > S+ 0 0 2 -6,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.883 111.7 51.1 -55.2 -40.6 37.9 2.0 19.1 257 263 A I H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 110.0 47.7 -62.9 -49.0 37.3 4.7 21.7 258 264 A T H < S+ 0 0 1 -4,-1.7 4,-0.4 1,-0.2 3,-0.2 0.911 114.0 47.1 -60.5 -44.9 41.0 5.5 22.1 259 265 A Y H >< S+ 0 0 1 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.887 111.5 52.3 -61.6 -38.9 41.5 5.7 18.3 260 266 A A H >< S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 0.744 94.2 70.3 -72.2 -24.0 38.4 7.9 18.0 261 267 A S T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.3 -192,-0.2 0.673 93.8 58.2 -67.0 -15.6 39.6 10.3 20.6 262 268 A Y T < S+ 0 0 2 -3,-1.1 -258,-1.4 -4,-0.4 2,-0.5 0.385 83.4 101.8 -95.2 1.9 42.2 11.4 18.1 263 269 A V S < S- 0 0 2 -3,-1.8 -197,-0.1 -260,-0.2 -196,-0.1 -0.755 86.0-106.1 -83.7 129.9 39.5 12.4 15.6 264 270 A R > - 0 0 119 -2,-0.5 3,-1.5 -260,-0.2 -197,-0.1 -0.214 27.8-114.2 -56.8 145.2 39.0 16.1 15.5 265 271 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -4,-0.1 -198,-0.1 0.816 114.2 44.2 -50.1 -38.3 35.7 17.3 17.2 266 272 A D T 3 S+ 0 0 107 2,-0.1 -1,-0.3 167,-0.0 2,-0.1 0.554 90.6 104.0 -90.4 -8.8 34.2 18.5 13.9 267 273 A Q S < S- 0 0 58 -3,-1.5 2,-0.4 1,-0.1 167,-0.1 -0.397 79.8 -99.4 -77.4 152.8 35.2 15.5 11.7 268 274 A D + 0 0 12 1,-0.1 4,-0.3 -2,-0.1 166,-0.1 -0.566 36.1 173.9 -77.3 122.2 32.6 12.9 10.7 269 275 A I S > S+ 0 0 0 -2,-0.4 4,-1.4 163,-0.4 5,-0.2 0.496 70.3 70.4 -98.3 -7.3 32.6 9.7 12.6 270 276 A V H > S+ 0 0 0 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.974 105.8 30.5 -74.8 -55.9 29.5 8.2 10.9 271 277 A L H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.847 121.3 53.3 -75.2 -34.6 30.7 7.4 7.4 272 278 A S H > S+ 0 0 3 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.948 112.6 44.3 -62.7 -49.7 34.2 6.7 8.6 273 279 A G H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.945 113.8 48.8 -59.6 -51.9 32.9 4.2 11.2 274 280 A L H X S+ 0 0 52 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.891 112.1 50.5 -55.9 -40.8 30.5 2.6 8.8 275 281 A T H X S+ 0 0 46 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.908 110.7 48.2 -65.5 -43.1 33.3 2.3 6.3 276 282 A A H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.942 113.8 46.4 -62.1 -48.9 35.7 0.7 8.8 277 283 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.932 113.3 49.1 -59.2 -47.7 33.1 -1.8 9.9 278 284 A T H X S+ 0 0 49 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.918 110.1 51.3 -58.6 -46.1 32.1 -2.7 6.4 279 285 A L H X S+ 0 0 39 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 110.0 50.7 -56.7 -44.4 35.8 -3.1 5.4 280 286 A N H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.926 110.1 48.3 -60.2 -46.9 36.2 -5.5 8.4 281 287 A E H X>S+ 0 0 17 -4,-2.6 4,-2.6 2,-0.2 5,-0.6 0.906 111.4 50.5 -61.8 -42.5 33.2 -7.6 7.5 282 288 A K H X>S+ 0 0 111 -4,-2.6 5,-1.3 1,-0.2 4,-1.0 0.920 110.9 49.0 -59.2 -44.2 34.4 -7.8 3.9 283 289 A A H <>S+ 0 0 1 -4,-2.5 5,-2.2 -5,-0.2 -1,-0.2 0.750 118.1 43.6 -66.6 -23.0 37.8 -8.9 5.2 284 290 A E H <>S+ 0 0 0 -4,-1.4 5,-1.8 3,-0.2 -2,-0.2 0.960 122.7 25.3 -87.4 -64.6 36.1 -11.5 7.4 285 291 A V H <5S+ 0 0 19 -4,-2.6 -3,-0.2 3,-0.2 -2,-0.1 0.886 131.3 37.1 -73.6 -40.7 33.3 -13.2 5.4 286 292 A I T < > S+ 0 0 0 -3,-0.8 4,-1.4 -4,-0.4 5,-0.2 0.837 112.6 26.9-104.4 -73.7 40.8 -19.4 2.7 292 298 A S H X S+ 0 0 1 -4,-0.8 4,-2.7 2,-0.2 3,-0.3 0.954 123.0 44.1 -62.1 -56.9 41.1 -21.9 5.6 293 299 A I H > S+ 0 0 5 -5,-0.3 4,-2.9 1,-0.2 5,-0.3 0.929 112.5 49.9 -58.6 -52.2 37.7 -23.7 5.4 294 300 A P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -74,-0.3 0.827 114.2 47.5 -58.6 -31.3 37.5 -24.1 1.6 295 301 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 -3,-0.3 5,-0.3 0.924 111.8 47.7 -74.0 -47.5 41.1 -25.6 1.7 296 302 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.5 0.906 116.3 44.8 -58.3 -43.5 40.3 -28.0 4.6 297 303 A V H X S+ 0 0 1 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.847 109.9 58.2 -67.8 -35.0 37.1 -29.1 2.8 298 304 A A H < S+ 0 0 0 -4,-1.4 -86,-0.3 -5,-0.3 -2,-0.2 0.970 119.6 25.4 -59.1 -56.5 39.1 -29.3 -0.4 299 305 A F H < S+ 0 0 37 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.951 138.9 22.0 -74.9 -52.9 41.6 -31.8 0.9 300 306 A F H X S- 0 0 29 -4,-2.4 4,-0.6 -5,-0.3 -3,-0.2 0.471 105.2-119.8 -99.1 -3.2 39.8 -33.6 3.7 301 307 A G H X - 0 0 13 -4,-1.2 4,-2.2 -5,-0.5 -1,-0.2 -0.025 38.1 -66.3 81.4 168.5 36.2 -33.0 2.8 302 308 A V H > S+ 0 0 58 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.939 128.3 48.4 -59.1 -56.6 33.4 -31.2 4.7 303 309 A A H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 116.1 43.3 -52.3 -53.5 33.0 -33.6 7.6 304 310 A N H X S+ 0 0 96 -4,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.864 111.5 55.6 -62.5 -37.3 36.7 -33.8 8.3 305 311 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.938 109.7 45.6 -59.3 -47.9 37.1 -30.1 7.9 306 312 A V H X S+ 0 0 30 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.898 111.1 53.6 -62.2 -42.0 34.5 -29.4 10.5 307 313 A A H X S+ 0 0 55 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.925 110.1 47.0 -57.7 -46.6 36.1 -32.0 12.8 308 314 A I H X S+ 0 0 19 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.887 110.0 53.9 -62.7 -40.5 39.5 -30.2 12.5 309 315 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.922 110.4 45.7 -60.4 -44.9 37.8 -26.9 13.2 310 316 A K H 3< S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.782 99.2 73.8 -67.5 -27.1 36.3 -28.3 16.4 311 317 A A H 3< S- 0 0 71 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.866 116.6 -47.8 -55.0 -40.2 39.7 -29.7 17.2 312 318 A G S+ 0 0 48 -2,-0.3 4,-0.8 1,-0.2 3,-0.3 0.890 119.4 36.7 -78.0 -41.7 41.4 -22.7 17.1 314 320 A F H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.613 101.4 77.5 -86.4 -13.5 45.1 -22.9 16.2 315 321 A N H >>S+ 0 0 28 1,-0.2 5,-2.7 2,-0.2 4,-0.6 0.853 98.6 42.6 -65.4 -35.1 44.8 -26.4 14.7 316 322 A L H <>S+ 0 0 5 -4,-0.6 5,-2.0 -3,-0.3 -1,-0.2 0.908 122.6 36.3 -76.7 -45.0 43.3 -25.1 11.5 317 323 A G H <5S+ 0 0 1 -4,-0.8 -2,-0.2 3,-0.2 -3,-0.1 0.922 126.4 30.9 -76.3 -48.0 45.6 -22.1 11.0 318 324 A F H <5S+ 0 0 1 -4,-2.4 -3,-0.2 3,-0.1 -1,-0.1 0.572 134.1 17.6 -92.9 -9.7 49.0 -23.3 12.2 319 325 A I T X5S+ 0 0 4 -4,-0.6 4,-1.8 -5,-0.5 -3,-0.2 0.696 120.8 42.1-124.7 -65.7 48.8 -27.0 11.4 320 326 A T H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.838 112.3 54.7 -64.5 -30.7 50.3 -25.4 6.0 323 329 A A H < S+ 0 0 0 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.832 109.4 47.7 -69.1 -33.3 50.1 -29.2 5.8 324 330 A I H >< S+ 0 0 1 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 0.890 111.6 50.1 -70.9 -41.8 47.7 -28.8 3.0 325 331 A F H >< S+ 0 0 1 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.882 99.7 64.8 -63.7 -38.8 50.0 -26.2 1.3 326 332 A S T 3< S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 5,-0.2 0.693 95.7 60.3 -59.6 -18.2 53.0 -28.6 1.6 327 333 A Q T < S+ 0 0 72 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.364 99.0 71.7 -91.4 3.8 51.2 -31.0 -0.7 328 334 A T S X S- 0 0 24 -3,-2.5 3,-1.6 1,-0.0 4,-0.2 -0.835 97.9 -85.1-119.4 157.9 51.1 -28.4 -3.5 329 335 A A T 3 S+ 0 0 97 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 -0.406 116.8 4.2 -61.7 127.7 53.8 -26.9 -5.8 330 336 A G T 3> S+ 0 0 59 -2,-0.2 4,-1.4 -4,-0.1 -1,-0.3 0.848 86.9 148.8 63.1 35.2 55.5 -24.0 -4.0 331 337 A G H <> + 0 0 5 -3,-1.6 4,-2.4 1,-0.2 -5,-0.2 0.804 62.6 59.1 -70.7 -31.3 53.4 -24.7 -0.9 332 338 A T H > S+ 0 0 46 2,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.944 106.6 46.4 -62.4 -49.2 56.1 -23.5 1.5 333 339 A F H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 110.7 54.3 -60.7 -37.6 56.1 -20.1 -0.0 334 340 A L H X S+ 0 0 10 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.921 107.1 50.1 -62.4 -45.2 52.3 -20.1 0.1 335 341 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.921 108.3 54.3 -56.5 -44.9 52.5 -20.9 3.8 336 342 A F H X S+ 0 0 29 -4,-2.4 4,-2.2 -218,-0.2 -2,-0.2 0.932 107.5 48.5 -55.3 -50.1 54.9 -18.0 4.2 337 343 A L H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.923 110.8 53.3 -55.7 -44.9 52.4 -15.6 2.5 338 344 A W H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.947 112.1 41.9 -54.4 -54.1 49.8 -17.0 4.8 339 345 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -224,-0.3 0.766 112.7 54.5 -70.0 -25.6 51.7 -16.4 8.0 340 346 A F H X S+ 0 0 60 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