==== 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 19-FEB-11 3QS4 . COMPND 2 MOLECULE: NA(+):NEUROTRANSMITTER SYMPORTER (SNF FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR C.L.PISCITELLI,E.GOUAUX . 507 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 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 . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 5.5 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 6 0 3 3 1 0 1 0 1 2 3 0 1 0 0 1 0 0 0 1 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 97 0, 0.0 2,-0.0 0, 0.0 261,-0.0 0.000 360.0 360.0 360.0 149.5 -33.7 20.6 -23.7 2 6 A E - 0 0 50 261,-0.0 2,-0.3 1,-0.0 178,-0.0 -0.344 360.0-171.1 -69.3 153.6 -34.3 18.3 -20.7 3 7 A H - 0 0 51 -2,-0.0 2,-0.3 261,-0.0 179,-0.2 -0.969 31.6 -93.5-143.3 159.0 -31.5 17.7 -18.2 4 8 A W - 0 0 5 258,-1.2 260,-0.2 -2,-0.3 178,-0.1 -0.581 31.8-147.1 -70.4 132.9 -30.6 15.6 -15.2 5 9 A A S S+ 0 0 79 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.937 73.5 20.3 -69.6 -49.1 -31.6 17.4 -12.0 6 10 A T > - 0 0 51 1,-0.1 4,-1.4 176,-0.1 5,-0.1 -0.676 68.7-124.4-118.7 171.7 -28.8 16.1 -9.7 7 11 A R H > S+ 0 0 79 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.807 113.2 52.1 -83.2 -33.9 -25.4 14.5 -10.0 8 12 A L H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 108.7 51.4 -65.4 -44.9 -26.4 11.5 -7.9 9 13 A G H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.953 109.1 49.5 -56.5 -54.6 -29.5 11.0 -10.1 10 14 A L H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.944 113.3 46.3 -47.9 -57.1 -27.4 11.0 -13.3 11 15 A I H X S+ 0 0 22 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.890 113.8 48.1 -55.7 -44.7 -24.9 8.5 -12.0 12 16 A L H X S+ 0 0 24 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.878 112.2 49.0 -67.2 -39.5 -27.7 6.2 -10.6 13 17 A A H X S+ 0 0 4 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.971 114.0 45.6 -61.0 -54.6 -29.6 6.3 -13.9 14 18 A M H X S+ 0 0 9 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.881 114.6 48.7 -54.6 -42.6 -26.4 5.5 -15.9 15 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.894 107.0 55.8 -66.4 -41.2 -25.5 2.8 -13.4 16 20 A G H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 103.7 55.7 -59.3 -33.7 -29.0 1.4 -13.6 17 21 A N H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.0 41.9 -64.6 -40.3 -28.6 1.1 -17.4 18 22 A A H < S+ 0 0 7 -4,-1.3 2,-0.6 -3,-0.2 -2,-0.2 0.807 99.3 80.7 -80.1 -32.2 -25.4 -1.0 -16.9 19 23 A V < + 0 0 3 -4,-2.4 2,-0.2 488,-0.2 329,-0.1 -0.675 63.8 135.5 -79.6 119.6 -26.8 -3.2 -14.1 20 24 A G S >> S- 0 0 0 -2,-0.6 3,-1.6 260,-0.1 4,-0.7 -0.795 72.0 -67.0-147.3-172.4 -28.9 -6.0 -15.5 21 25 A L H >> S+ 0 0 21 1,-0.3 4,-1.0 -2,-0.2 3,-0.7 0.806 123.2 68.8 -52.9 -31.1 -29.8 -9.7 -15.4 22 26 A G H 34>S+ 0 0 5 485,-2.0 5,-2.4 1,-0.2 3,-0.3 0.833 89.3 61.5 -58.6 -36.0 -26.3 -10.2 -16.8 23 27 A N H <45S+ 0 0 0 -3,-1.6 -1,-0.2 484,-0.3 -2,-0.2 0.870 115.2 31.2 -59.0 -39.0 -24.6 -9.0 -13.6 24 28 A F H <<5S+ 0 0 2 -4,-0.7 268,-0.4 -3,-0.7 -1,-0.2 0.440 136.8 20.6-101.9 -2.7 -26.2 -11.8 -11.5 25 29 A L T X5S+ 0 0 9 -4,-1.0 4,-1.4 -3,-0.3 -3,-0.2 0.649 120.6 41.1-129.8 -59.1 -26.4 -14.5 -14.2 26 30 A R H >5S+ 0 0 43 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.942 111.9 52.9 -67.5 -49.3 -24.1 -14.1 -17.3 27 31 A F H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.894 113.7 48.2 -52.8 -43.6 -20.8 -15.8 -12.9 29 33 A V H X S+ 0 0 3 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.948 113.9 45.3 -61.6 -51.5 -21.2 -18.4 -15.7 30 34 A Q H X S+ 0 0 31 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.947 110.7 53.3 -57.1 -51.5 -18.5 -16.8 -17.9 31 35 A A H <>S+ 0 0 0 -4,-3.2 5,-1.1 1,-0.2 8,-0.3 0.831 112.7 45.5 -54.1 -34.9 -16.1 -16.5 -15.0 32 36 A A H ><5S+ 0 0 21 -4,-1.6 3,-0.7 -5,-0.3 -1,-0.2 0.838 112.2 49.4 -78.8 -35.0 -16.6 -20.2 -14.3 33 37 A E H 3<5S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.458 113.7 48.4 -83.0 -1.1 -16.3 -21.3 -17.9 34 38 A N T 3<5S- 0 0 13 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.043 133.6 -62.3-132.5 27.8 -13.1 -19.3 -18.4 35 39 A G T X 5 - 0 0 3 -3,-0.7 3,-2.3 3,-0.1 193,-1.8 0.756 59.6-121.4 103.4 29.9 -10.8 -20.1 -15.4 36 40 A G G > S+ 0 0 15 1,-0.2 3,-2.0 2,-0.2 -1,-0.3 0.828 125.4 64.8 -65.8 -33.5 -10.4 -16.4 -10.6 38 42 A A G X S+ 0 0 1 -3,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.748 86.3 73.8 -61.4 -23.4 -8.0 -16.3 -13.5 39 43 A F G <> S+ 0 0 0 -3,-1.0 4,-1.4 -4,-0.4 -1,-0.3 0.642 81.1 72.3 -66.1 -13.7 -10.8 -14.8 -15.5 40 44 A M H <> S+ 0 0 35 -3,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.651 86.7 65.8 -76.2 -15.3 -10.3 -11.6 -13.6 41 45 A I H <> S+ 0 0 76 -3,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.981 110.8 29.8 -71.6 -58.4 -7.0 -11.0 -15.6 42 46 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.821 120.0 59.0 -70.0 -27.4 -8.5 -10.5 -19.0 43 47 A Y H X S+ 0 0 7 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.950 110.8 38.2 -64.0 -52.1 -11.7 -9.1 -17.4 44 48 A I H X S+ 0 0 87 -4,-2.0 4,-1.6 2,-0.2 5,-0.2 0.911 116.3 53.0 -65.6 -43.8 -9.9 -6.3 -15.6 45 49 A I H X S+ 0 0 57 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.893 110.9 46.8 -58.0 -42.3 -7.5 -5.7 -18.6 46 50 A A H X>S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 5,-1.9 0.837 108.2 56.6 -69.3 -33.4 -10.5 -5.4 -20.9 47 51 A F H <>S+ 0 0 29 -4,-1.7 5,-2.7 3,-0.2 -1,-0.2 0.821 113.2 40.2 -67.1 -31.6 -12.3 -3.1 -18.5 48 52 A L H <5S+ 0 0 75 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.754 123.9 36.5 -88.8 -27.5 -9.3 -0.7 -18.5 49 53 A L H <5S+ 0 0 50 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.577 136.9 8.5-104.8 -13.3 -8.5 -0.9 -22.2 50 54 A V T X5S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.4 0.594 122.9 49.4-129.4 -62.4 -12.0 -1.1 -23.7 51 55 A G H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.941 116.3 40.2 -54.9 -52.5 -12.2 4.1 -22.8 54 58 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.881 111.0 59.8 -64.7 -40.0 -15.3 3.5 -24.9 55 59 A M H X S+ 0 0 7 -4,-2.6 4,-1.9 -5,-0.4 -1,-0.2 0.932 105.2 46.8 -54.6 -53.1 -17.6 4.5 -22.0 56 60 A W H X S+ 0 0 5 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.876 109.6 56.8 -56.6 -39.7 -16.2 8.0 -21.8 57 61 A I H X S+ 0 0 0 -4,-1.4 4,-3.1 -5,-0.2 5,-0.2 0.916 105.8 48.2 -60.0 -46.3 -16.4 8.4 -25.5 58 62 A E H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.859 112.6 49.6 -65.4 -35.4 -20.2 7.6 -25.6 59 63 A W H X S+ 0 0 3 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.943 112.2 48.8 -62.3 -49.0 -20.6 10.2 -22.7 60 64 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.941 114.7 43.2 -56.9 -52.9 -18.6 12.7 -24.7 61 65 A M H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.939 114.0 51.8 -59.3 -49.4 -20.6 12.1 -27.9 62 66 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.938 114.6 41.3 -52.7 -53.5 -23.9 12.1 -26.1 63 67 A R H X S+ 0 0 1 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.916 111.2 57.7 -62.0 -44.6 -23.1 15.4 -24.3 64 68 A Y H < S+ 0 0 45 -4,-2.9 3,-0.3 -5,-0.3 -2,-0.2 0.920 112.3 40.4 -51.5 -49.7 -21.6 16.9 -27.5 65 69 A G H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-2.1 0.863 107.6 62.0 -69.3 -38.2 -24.9 16.3 -29.4 66 70 A G H ><5S+ 0 0 9 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.823 94.0 63.5 -57.9 -32.8 -27.1 17.4 -26.5 67 71 A A T 3<5S+ 0 0 65 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.598 108.2 43.1 -68.0 -9.8 -25.6 20.8 -26.6 68 72 A Q T < 5S- 0 0 89 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.113 125.1 -97.7-123.3 18.6 -27.1 21.1 -30.1 69 73 A G T < 5S+ 0 0 29 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.680 88.3 117.1 77.2 20.6 -30.5 19.6 -29.4 70 74 A H < + 0 0 41 -5,-2.3 -2,-0.2 -8,-0.1 -1,-0.2 -0.965 29.8 167.6-129.7 119.3 -29.6 16.1 -30.7 71 75 A G + 0 0 0 -2,-0.5 2,-0.3 288,-0.2 190,-0.2 0.286 59.0 75.4-111.5 8.0 -29.5 13.0 -28.6 72 76 A T S >> S- 0 0 4 287,-0.1 4,-2.5 -7,-0.1 3,-0.6 -0.907 78.9-120.4-125.9 156.0 -29.3 10.3 -31.3 73 77 A T H 3> S+ 0 0 4 -2,-0.3 4,-2.9 17,-0.3 5,-0.4 0.723 102.5 68.3 -68.8 -28.1 -26.5 9.1 -33.5 74 78 A P H 3> S+ 0 0 5 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.959 116.9 28.1 -54.7 -46.7 -28.0 9.9 -36.9 75 79 A A H <> S+ 0 0 14 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.908 122.4 52.2 -77.1 -45.1 -27.7 13.6 -36.1 76 80 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.899 108.8 49.6 -60.8 -44.3 -24.7 13.2 -33.8 77 81 A F H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.903 110.1 52.2 -59.9 -41.5 -22.6 11.3 -36.3 78 82 A Y H < S+ 0 0 56 -4,-1.0 -2,-0.2 -5,-0.4 -1,-0.2 0.897 109.3 50.0 -61.0 -41.0 -23.4 13.9 -38.9 79 83 A L H < S+ 0 0 26 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.886 114.2 43.7 -64.2 -40.5 -22.2 16.6 -36.5 80 84 A L H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.639 136.6 13.8 -77.9 -14.9 -19.0 14.7 -35.9 81 85 A W S < S- 0 0 65 -4,-1.2 2,-2.0 -5,-0.2 -1,-0.3 -0.621 74.7-144.5-165.5 93.0 -18.7 14.0 -39.6 82 86 A R + 0 0 166 -3,-0.3 2,-0.3 -2,-0.2 -4,-0.1 -0.408 58.8 114.5 -70.6 82.7 -20.8 15.9 -42.1 83 87 A N S >> S- 0 0 68 -2,-2.0 3,-2.2 1,-0.1 4,-1.0 -0.986 71.3-126.4-151.5 138.0 -21.4 13.2 -44.6 84 88 A R H 3> S+ 0 0 128 -2,-0.3 4,-1.9 1,-0.3 3,-0.5 0.841 112.1 61.4 -56.0 -33.3 -24.6 11.3 -45.7 85 89 A F H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.701 99.1 57.2 -67.0 -18.5 -22.8 8.0 -45.0 86 90 A A H <> S+ 0 0 0 -3,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.809 104.1 51.3 -79.1 -32.4 -22.5 9.2 -41.4 87 91 A K H X S+ 0 0 18 -4,-1.0 4,-1.5 -3,-0.5 -2,-0.2 0.896 110.9 48.0 -68.4 -41.3 -26.3 9.6 -41.2 88 92 A I H X S+ 0 0 59 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.908 113.1 47.1 -64.8 -43.7 -26.8 6.1 -42.5 89 93 A L H X S+ 0 0 29 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.800 108.8 56.8 -67.6 -29.0 -24.3 4.7 -40.0 90 94 A G H >< S+ 0 0 0 -4,-1.4 3,-0.9 1,-0.2 -17,-0.3 0.836 97.4 61.5 -69.8 -33.9 -26.1 6.8 -37.3 91 95 A V H >X S+ 0 0 1 -4,-1.5 3,-2.1 1,-0.3 4,-2.0 0.886 96.8 59.5 -57.6 -39.5 -29.3 5.0 -38.2 92 96 A F H 3X S+ 0 0 44 -4,-1.0 4,-1.6 1,-0.3 -1,-0.3 0.792 99.4 57.9 -60.5 -28.2 -27.7 1.8 -37.1 93 97 A G H << S+ 0 0 4 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.486 112.1 40.1 -81.1 -3.9 -27.1 3.3 -33.7 94 98 A L H <> S+ 0 0 2 -3,-2.1 4,-0.9 -4,-0.2 -2,-0.2 0.577 110.1 59.1-111.9 -24.1 -30.9 3.9 -33.4 95 99 A W H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.879 100.4 57.1 -70.9 -41.4 -31.8 0.5 -34.9 96 100 A I H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.939 107.4 43.1 -60.1 -54.9 -29.9 -1.5 -32.3 97 101 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.825 115.0 53.2 -64.1 -29.5 -31.6 -0.2 -29.1 98 102 A L H X S+ 0 0 4 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.949 112.7 41.6 -68.1 -50.6 -35.0 -0.4 -30.9 99 103 A V H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 5,-0.2 0.927 115.5 50.4 -62.3 -47.2 -34.5 -4.1 -31.9 100 104 A V H >X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 3,-1.4 0.938 109.5 51.6 -55.1 -49.0 -33.0 -5.0 -28.5 101 105 A A H 3X S+ 0 0 1 -4,-2.2 4,-1.7 252,-0.3 5,-0.4 0.883 98.3 67.3 -54.0 -41.3 -36.0 -3.3 -26.8 102 106 A I H 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.2 285,-0.2 0.757 118.4 21.3 -55.0 -28.0 -38.4 -5.3 -29.0 103 107 A Y H S+ 0 0 2 -5,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.937 108.5 49.5 -62.7 -48.7 -40.6 -9.1 -22.9 107 111 A I H >X S+ 0 0 30 -4,-1.6 4,-1.0 1,-0.2 3,-0.7 0.924 111.8 50.6 -53.5 -45.7 -37.7 -11.0 -21.2 108 112 A E H 3X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 3,-0.4 0.877 101.0 61.8 -59.3 -40.3 -38.1 -8.5 -18.4 109 113 A S H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.827 96.7 62.2 -57.6 -31.1 -41.9 -9.2 -18.2 110 114 A W H S+ 0 0 41 -4,-2.3 5,-2.9 1,-0.2 -2,-0.2 0.875 116.5 44.0 -56.0 -40.3 -46.2 -16.3 -9.1 118 122 A F H ><5S+ 0 0 1 -4,-3.0 3,-1.8 3,-0.2 -1,-0.2 0.929 109.1 55.4 -71.8 -46.8 -43.6 -16.9 -6.4 119 123 A L H 3<5S+ 0 0 92 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.920 113.8 41.2 -50.1 -48.6 -44.8 -14.2 -4.1 120 124 A V T 3<5S- 0 0 86 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.369 116.3-116.8 -85.3 4.8 -48.3 -15.7 -4.0 121 125 A G T < 5 + 0 0 34 -3,-1.8 2,-1.3 1,-0.2 -3,-0.2 0.716 66.3 144.2 69.4 22.2 -46.8 -19.2 -3.8 122 126 A L < + 0 0 107 -5,-2.9 -1,-0.2 -6,-0.3 -2,-0.1 -0.608 35.7 111.9 -91.9 75.1 -48.1 -20.3 -7.2 123 127 A V S S- 0 0 16 -2,-1.3 15,-0.1 -5,-0.1 209,-0.0 -0.900 72.8 -77.3-140.9 166.0 -45.2 -22.5 -8.2 124 128 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 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52.2 -66.0 -39.4 -17.4 -9.5 -24.7 244 250 A Q H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.884 110.9 47.5 -64.9 -39.8 -18.5 -9.7 -21.0 245 251 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 6,-0.2 0.916 111.5 50.1 -66.0 -44.5 -17.2 -6.1 -20.4 246 252 A F H <>S+ 0 0 1 -4,-2.2 5,-1.6 -5,-0.2 4,-0.3 0.905 115.3 45.0 -59.4 -42.7 -18.9 -4.8 -23.5 247 253 A F H ><5S+ 0 0 28 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.964 112.7 47.2 -65.8 -56.1 -22.2 -6.5 -22.4 248 254 A T H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 113.2 49.3 -62.3 -28.8 -22.2 -5.5 -18.8 249 255 A L T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.496 103.4-130.9 -88.8 -3.8 -21.4 -1.8 -19.6 250 256 A S T X 5 + 0 0 0 -3,-1.6 3,-0.9 -4,-0.3 6,-0.5 0.819 45.2 171.6 57.8 33.1 -24.1 -1.7 -22.2 251 257 A L T 3 < + 0 0 1 -5,-1.6 -1,-0.2 -6,-0.2 159,-0.1 -0.373 56.7 17.9 -72.5 151.6 -21.7 -0.2 -24.7 252 258 A G T 3 S+ 0 0 0 157,-0.1 -1,-0.2 1,-0.1 157,-0.2 0.568 95.2 104.7 67.9 9.5 -22.6 0.3 -28.4 253 259 A V S < S- 0 0 1 -3,-0.9 -2,-0.1 -157,-0.1 -1,-0.1 0.600 85.6-125.9 -97.3 -14.3 -26.3 0.0 -27.5 254 260 A G S > S+ 0 0 4 -4,-0.2 4,-1.7 -158,-0.1 5,-0.2 0.159 84.1 105.4 93.4 -18.7 -27.0 3.7 -27.9 255 261 A A H > S+ 0 0 0 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.936 77.8 50.6 -58.6 -50.2 -28.5 4.1 -24.4 256 262 A I H > S+ 0 0 7 -6,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.896 106.9 53.9 -57.8 -45.7 -25.5 5.8 -22.9 257 263 A I H > S+ 0 0 0 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.926 111.4 44.9 -55.9 -48.4 -25.3 8.4 -25.6 258 264 A T H >< S+ 0 0 3 -4,-1.7 3,-0.9 2,-0.2 4,-0.4 0.942 113.9 47.8 -64.4 -49.7 -28.9 9.5 -25.2 259 265 A Y H >< S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.915 112.8 51.0 -53.4 -43.2 -28.7 9.6 -21.4 260 266 A A H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 -1,-0.3 0.669 94.5 72.0 -71.1 -17.3 -25.5 11.6 -21.8 261 267 A S T << S+ 0 0 1 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.590 93.2 56.7 -74.7 -9.5 -27.2 14.0 -24.2 262 268 A Y T < S+ 0 0 2 -3,-1.4 -258,-1.2 -4,-0.4 2,-0.4 0.359 81.8 106.1-102.7 1.8 -29.1 15.4 -21.2 263 269 A V S < S- 0 0 3 -3,-1.3 -197,-0.1 -260,-0.2 6,-0.0 -0.683 84.9-102.3 -76.8 133.2 -25.9 16.2 -19.4 264 270 A R > - 0 0 121 -2,-0.4 3,-1.3 -260,-0.2 -1,-0.1 -0.179 35.5 -98.9 -61.4 152.8 -25.3 20.0 -19.4 265 271 A K T 3 S+ 0 0 44 1,-0.3 -1,-0.1 -199,-0.1 -198,-0.1 0.767 120.7 21.3 -41.6 -41.4 -22.8 21.4 -21.9 266 272 A D T 3 S+ 0 0 73 167,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.418 90.5 125.9-113.5 -1.2 -20.0 21.7 -19.4 267 273 A Q S < S- 0 0 9 -3,-1.3 167,-0.1 244,-0.2 -4,-0.1 -0.385 71.1 -96.4 -63.1 132.7 -21.2 19.2 -16.7 268 274 A D + 0 0 0 165,-0.4 166,-0.2 1,-0.1 -1,-0.1 -0.035 43.6 169.3 -49.2 146.9 -18.5 16.6 -15.9 269 275 A I > + 0 0 0 161,-0.3 4,-1.3 163,-0.2 5,-0.2 0.393 67.6 70.2-133.7 -12.2 -18.6 13.2 -17.6 270 276 A V H > S+ 0 0 1 166,-0.2 4,-2.3 2,-0.2 5,-0.1 0.983 111.0 27.1 -71.8 -60.6 -15.2 11.8 -16.6 271 277 A L H > S+ 0 0 56 165,-0.2 4,-3.0 2,-0.2 5,-0.3 0.930 122.8 53.7 -67.9 -46.0 -15.8 11.3 -12.9 272 278 A S H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 114.1 42.0 -54.0 -48.4 -19.6 10.8 -13.4 273 279 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.921 113.3 52.4 -65.3 -45.6 -18.9 8.1 -16.0 274 280 A L H X S+ 0 0 54 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.888 112.0 46.5 -58.5 -41.8 -16.1 6.5 -14.0 275 281 A T H X S+ 0 0 45 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.928 108.9 54.0 -67.1 -46.9 -18.3 6.2 -10.9 276 282 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.916 111.2 46.8 -52.8 -46.9 -21.3 4.8 -12.9 277 283 A A H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.939 109.7 53.2 -60.5 -49.1 -19.1 2.1 -14.2 278 284 A T H X S+ 0 0 51 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.910 106.1 53.9 -53.8 -47.1 -17.6 1.3 -10.8 279 285 A L H X S+ 0 0 62 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.932 110.0 47.2 -52.1 -50.3 -21.1 0.9 -9.4 280 286 A N H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.891 109.8 53.3 -60.2 -41.6 -21.9 -1.6 -12.1 281 287 A E H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.935 108.5 48.5 -62.0 -48.1 -18.7 -3.5 -11.5 282 288 A K H X>S+ 0 0 125 -4,-2.5 5,-1.4 1,-0.2 4,-0.8 0.901 111.2 51.0 -58.3 -42.6 -19.2 -3.9 -7.8 283 289 A A H <>S+ 0 0 14 -4,-2.0 5,-2.0 -5,-0.2 -1,-0.2 0.811 115.7 45.0 -63.3 -29.8 -22.8 -5.1 -8.5 284 290 A E H <>S+ 0 0 0 -4,-1.6 5,-0.7 -3,-0.3 -2,-0.2 0.974 123.6 24.4 -81.3 -61.3 -21.4 -7.6 -10.9 285 291 A V H X5S+ 0 0 40 -4,-2.6 4,-0.7 3,-0.2 -3,-0.2 0.959 129.5 38.6 -73.3 -53.2 -18.3 -9.3 -9.3 286 292 A I T <5S+ 0 0 103 -4,-0.8 4,-0.3 -5,-0.5 -3,-0.2 0.989 132.9 19.2 -61.6 -64.7 -19.1 -8.8 -5.6 287 293 A L T >44 S+ 0 0 2 -3,-0.7 4,-2.6 -4,-0.4 5,-0.2 0.712 108.1 34.5-116.2 -82.7 -25.4 -15.6 -5.3 292 298 A S H > S+ 0 0 0 -4,-0.5 4,-2.8 -268,-0.4 5,-0.2 0.908 123.5 37.1 -49.6 -61.7 -26.4 -17.8 -8.3 293 299 A I H > S+ 0 0 2 -5,-0.4 4,-3.0 2,-0.2 5,-0.4 0.944 115.8 51.5 -62.0 -52.1 -23.3 -20.0 -8.6 294 300 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -74,-0.3 0.902 114.8 46.8 -50.3 -41.2 -22.6 -20.4 -4.8 295 301 A A H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 5,-0.2 0.936 112.3 47.3 -66.0 -50.1 -26.2 -21.4 -4.5 296 302 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.892 118.0 42.2 -60.5 -41.9 -26.2 -23.9 -7.4 297 303 A V H X S+ 0 0 1 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.862 110.3 56.8 -74.1 -37.2 -23.0 -25.5 -6.2 298 304 A A H < S+ 0 0 0 -4,-2.2 -86,-0.3 -5,-0.4 -2,-0.2 0.861 117.9 34.0 -60.0 -36.2 -24.0 -25.5 -2.5 299 305 A F H < S+ 0 0 30 -4,-1.8 -85,-0.2 -5,-0.1 -2,-0.2 0.817 130.0 31.1 -92.3 -35.6 -27.2 -27.5 -3.4 300 306 A F H < S- 0 0 18 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.483 108.5-120.8-101.9 -5.8 -25.9 -29.7 -6.2 301 307 A G >< - 0 0 6 -4,-2.0 3,-2.1 -5,-0.2 4,-0.3 0.249 31.6 -80.5 76.6 152.8 -22.3 -30.0 -5.1 302 308 A V G >> S+ 0 0 79 -88,-0.4 3,-0.8 1,-0.3 4,-0.6 0.665 118.9 83.5 -61.4 -15.1 -19.2 -29.0 -7.0 303 309 A A G 34 S+ 0 0 92 1,-0.3 -1,-0.3 -89,-0.2 4,-0.2 0.712 103.3 30.7 -62.3 -20.1 -19.6 -32.3 -8.9 304 310 A N G <> S+ 0 0 69 -3,-2.1 4,-3.0 -7,-0.1 5,-0.4 0.328 88.3 104.6-117.8 2.4 -22.1 -30.5 -11.1 305 311 A A H <> S+ 0 0 2 -3,-0.8 4,-1.6 -4,-0.3 -2,-0.1 0.883 86.8 45.2 -50.4 -42.8 -20.6 -27.0 -10.9 306 312 A V H X S+ 0 0 83 -4,-0.6 4,-2.4 2,-0.2 3,-0.3 0.988 113.9 45.6 -64.6 -62.1 -19.3 -27.5 -14.4 307 313 A A H > S+ 0 0 58 1,-0.2 4,-1.5 -4,-0.2 -2,-0.2 0.909 113.6 49.8 -48.6 -52.7 -22.4 -29.0 -16.0 308 314 A I H < S+ 0 0 21 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.879 109.9 51.9 -56.1 -41.1 -24.7 -26.4 -14.5 309 315 A A H >< S+ 0 0 3 -4,-1.6 3,-1.2 -5,-0.4 -1,-0.2 0.903 110.0 48.0 -62.9 -42.3 -22.3 -23.6 -15.7 310 316 A K H 3< S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.724 94.7 77.4 -69.4 -21.6 -22.4 -25.0 -19.2 311 317 A A T 3< S- 0 0 47 -4,-1.5 4,-0.4 -5,-0.3 -1,-0.2 0.659 107.6-113.9 -64.9 -15.5 -26.2 -25.2 -19.0 312 318 A G <> - 0 0 26 -3,-1.2 4,-1.6 -4,-0.3 -1,-0.2 -0.016 16.6 -87.4 100.1 157.4 -26.3 -21.4 -19.5 313 319 A A H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.851 121.4 57.8 -69.0 -36.1 -27.2 -18.3 -17.6 314 320 A F H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.970 108.7 43.3 -59.7 -57.7 -30.9 -18.5 -18.6 315 321 A N H >>S+ 0 0 51 -4,-0.4 5,-2.3 1,-0.2 4,-2.1 0.883 112.7 56.3 -51.9 -41.2 -31.4 -22.0 -17.2 316 322 A L H <>S+ 0 0 1 -4,-1.6 5,-1.6 1,-0.2 -1,-0.2 0.864 115.5 34.6 -61.3 -39.2 -29.5 -20.9 -14.1 317 323 A G H <5S+ 0 0 0 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.723 129.1 30.4 -91.5 -24.0 -31.8 -18.0 -13.4 318 324 A F H <5S+ 0 0 3 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.546 133.0 16.9-115.6 -12.1 -35.2 -19.3 -14.4 319 325 A I T X5S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.4 -3,-0.2 0.655 121.8 41.6-121.7 -67.0 -34.9 -23.1 -13.8 320 326 A T H > S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.915 111.3 48.1 -51.8 -42.4 -36.2 -21.7 -8.7 323 329 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.883 110.4 50.6 -65.7 -40.6 -35.8 -25.4 -8.1 324 330 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.904 108.1 53.8 -61.4 -42.1 -33.2 -24.8 -5.5 325 331 A F H >< S+ 0 0 4 -4,-3.0 3,-1.8 1,-0.3 6,-0.3 0.865 98.4 62.2 -61.6 -37.9 -35.5 -22.3 -3.8 326 332 A S T 3< S+ 0 0 27 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.388 106.4 48.7 -71.3 6.9 -38.3 -24.9 -3.6 327 333 A Q T < S+ 0 0 75 -3,-1.6 2,-0.3 2,-0.1 -1,-0.3 0.278 100.1 76.4-127.9 6.0 -36.0 -26.9 -1.4 328 334 A T S X S- 0 0 27 -3,-1.8 3,-2.0 -4,-0.1 2,-0.4 -0.789 94.8 -81.0-117.4 162.4 -34.9 -24.3 1.1 329 335 A A T 3 S- 0 0 87 1,-0.3 -2,-0.1 -2,-0.3 -3,-0.0 -0.458 115.9 -6.9 -66.1 118.4 -36.6 -22.7 4.1 330 336 A G T 3> S+ 0 0 57 -2,-0.4 4,-1.4 1,-0.1 3,-0.4 0.772 89.1 151.1 66.1 26.7 -38.9 -19.9 2.8 331 337 A G H <> + 0 0 2 -3,-2.0 4,-2.8 -6,-0.3 -5,-0.2 0.780 62.7 60.6 -60.9 -30.0 -37.5 -20.5 -0.6 332 338 A T H > S+ 0 0 48 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.912 107.9 42.7 -66.4 -43.8 -40.7 -19.4 -2.3 333 339 A F H > S+ 0 0 119 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.742 113.7 55.2 -70.8 -23.5 -40.5 -15.9 -0.8 334 340 A L H X S+ 0 0 7 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.886 103.3 53.3 -73.3 -42.1 -36.8 -16.1 -1.6 335 341 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.907 106.4 55.0 -56.4 -42.6 -37.6 -16.8 -5.3 336 342 A F H X S+ 0 0 33 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.960 108.1 46.0 -54.3 -56.3 -39.8 -13.6 -5.1 337 343 A L H X S+ 0 0 17 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.866 112.5 54.7 -55.7 -37.8 -36.9 -11.5 -3.9 338 344 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.984 114.7 35.2 -59.0 -62.2 -34.8 -13.1 -6.6 339 345 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.822 115.1 58.0 -65.5 -31.8 -37.0 -12.3 -9.6 340 346 A F H X S+ 0 0 56 -4,-3.2 4,-1.8 -5,-0.3 -1,-0.2 0.913 106.6 50.1 -60.6 -43.3 -38.0 -9.0 -8.0 341 347 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.950 112.7 45.1 -56.8 -52.5 -34.2 -8.2 -8.0 342 348 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.864 107.9 58.2 -63.1 -38.5 -34.0 -9.2 -11.7 343 349 A F H X S+ 0 0 7 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.910 109.6 43.2 -59.6 -44.4 -37.1 -7.2 -12.6 344 350 A F H X S+ 0 0 27 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.798 112.2 55.5 -70.8 -28.7 -35.7 -4.0 -11.3 345 351 A A H < S+ 0 0 0 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.919 114.9 38.7 -65.5 -45.2 -32.4 -4.9 -13.0 346 352 A G H >X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 3,-1.9 0.940 113.0 55.7 -69.0 -48.9 -34.2 -5.2 -16.3 347 353 A L H 3X S+ 0 0 1 -4,-3.3 4,-2.0 1,-0.3 5,-0.3 0.886 101.9 55.1 -53.5 -47.7 -36.6 -2.3 -15.7 348 354 A T H 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.594 116.2 41.7 -64.5 -8.6 -33.7 0.2 -15.1 349 355 A S H <> S+ 0 0 0 -3,-1.9 4,-2.1 -4,-0.2 -2,-0.2 0.779 107.6 55.8-104.8 -40.9 -32.4 -0.9 -18.5 350 356 A S H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.851 107.0 51.7 -63.6 -36.0 -35.5 -1.2 -20.6 351 357 A I H X S+ 0 0 4 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.831 113.7 45.0 -67.9 -31.4 -36.4 2.5 -19.9 352 358 A A H 4 S+ 0 0 0 -5,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.781 109.3 55.9 -79.2 -29.1 -32.9 3.4 -21.0 353 359 A I H < S+ 0 0 2 -4,-2.1 -252,-0.3 1,-0.2 4,-0.2 0.601 111.5 43.9 -80.3 -11.4 -33.1 1.2 -24.0 354 360 A M H X S+ 0 0 5 -4,-0.7 4,-1.4 -5,-0.2 -1,-0.2 0.588 92.6 79.8-106.9 -15.9 -36.3 2.9 -25.2 355 361 A Q H X S+ 0 0 4 -4,-0.7 4,-3.7 1,-0.2 5,-0.2 0.874 85.2 61.3 -61.9 -39.9 -35.2 6.5 -24.6 356 362 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.931 105.7 45.6 -52.4 -51.0 -33.1 6.8 -27.8 357 363 A M H > S+ 0 0 5 -4,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.841 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2,-0.2 -1,-0.2 0.921 113.3 51.7 -66.8 -45.7 -42.1 -2.0 -29.6 381 387 A F H X S+ 0 0 57 -4,-3.1 4,-0.6 -5,-0.2 -2,-0.2 0.942 114.2 43.7 -56.4 -50.8 -45.3 -3.6 -28.3 382 388 A F H >< S+ 0 0 142 -4,-2.8 3,-1.8 -5,-0.2 4,-0.3 0.965 114.6 48.4 -57.4 -55.8 -46.4 -4.6 -31.8 383 389 A S H >X S+ 0 0 3 -4,-2.5 3,-1.9 -5,-0.3 4,-0.6 0.800 98.5 70.1 -57.1 -32.2 -43.0 -5.8 -32.8 384 390 A A H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.3 3,-0.7 0.747 81.3 75.1 -59.8 -24.2 -42.7 -7.9 -29.7 385 391 A H H S+ 0 0 37 -3,-1.9 4,-1.7 -4,-0.3 -1,-0.3 0.849 109.6 45.6 -72.4 -35.5 -42.8 -11.7 -33.4 387 393 A V H << S+ 0 0 4 -3,-0.7 7,-0.3 -4,-0.6 -2,-0.2 0.811 113.8 48.5 -76.5 -32.2 -40.6 -12.5 -30.3 388 394 A M H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.842 125.0 25.6 -76.8 -34.5 -43.5 -14.0 -28.3 389 395 A F H < S+ 0 0 69 -4,-1.5 -233,-2.9 -5,-0.2 2,-0.7 0.707 107.2 72.0-108.6 -25.4 -44.9 -16.2 -31.0 390 396 A L B >< S-A 155 0A 15 -4,-1.7 3,-1.5 -5,-0.2 4,-0.5 -0.856 81.4-127.1 -99.2 116.4 -42.1 -17.1 -33.4 391 397 A N T 3 S+ 0 0 41 -237,-2.7 -3,-0.1 -2,-0.7 -2,-0.1 -0.332 88.4 8.8 -63.0 134.9 -39.5 -19.5 -31.9 392 398 A K T 3> S+ 0 0 111 -5,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.399 91.0 113.8 77.4 -2.3 -35.9 -18.3 -32.0 393 399 A S H <> S+ 0 0 2 -3,-1.5 4,-2.5 -7,-0.3 5,-0.3 0.934 76.1 55.5 -59.9 -45.9 -36.8 -14.8 -33.2 394 400 A L H > S+ 0 0 37 -4,-0.5 4,-2.7 -7,-0.3 -1,-0.2 0.915 106.9 49.8 -49.9 -48.5 -35.5 -13.6 -29.9 395 401 A D H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 109.8 50.8 -59.8 -43.1 -32.1 -15.3 -30.6 396 402 A E H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.923 113.1 43.7 -63.9 -47.1 -31.9 -13.8 -34.1 397 403 A M H X>S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-1.4 0.929 112.4 53.1 -62.7 -46.5 -32.6 -10.2 -32.9 398 404 A D H <>S+ 0 0 20 -4,-2.7 5,-0.8 -5,-0.3 -1,-0.2 0.801 113.0 47.2 -59.9 -29.4 -30.2 -10.6 -30.0 399 405 A F H X>S+ 0 0 21 -4,-1.6 5,-3.8 3,-0.2 4,-0.9 0.987 118.6 32.2 -76.2 -66.5 -27.5 -11.8 -32.4 400 406 A W H <>S+ 0 0 53 -4,-2.2 5,-2.5 3,-0.2 -3,-0.2 0.928 137.6 20.5 -60.0 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45.9 -56.0 -47.0 -10.8 17.6 -30.6 426 432 A A H X S+ 0 0 0 -4,-3.2 4,-1.5 -9,-0.3 -2,-0.2 0.933 110.5 53.3 -61.0 -48.5 -12.4 14.4 -29.2 427 433 A W H >X S+ 0 0 30 -4,-3.4 4,-2.5 1,-0.2 3,-0.6 0.929 112.9 42.4 -54.0 -51.7 -9.9 14.3 -26.3 428 434 A E H 3X S+ 0 0 123 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.857 110.8 57.8 -63.2 -35.2 -10.7 17.9 -25.3 429 435 A E H 3< S+ 0 0 18 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.751 111.1 44.1 -65.7 -24.1 -14.4 17.1 -25.9 430 436 A I H << S+ 0 0 0 -4,-1.5 -161,-0.3 -3,-0.6 -2,-0.2 0.906 117.6 40.5 -83.8 -48.8 -14.0 14.4 -23.3 431 437 A N H >< S+ 0 0 9 -4,-2.5 3,-2.3 -5,-0.2 -2,-0.2 0.715 86.1 114.3 -77.3 -22.8 -12.1 16.2 -20.6 432 438 A R T 3< S+ 0 0 82 -4,-2.2 -163,-0.2 1,-0.3 -162,-0.1 -0.208 89.7 5.1 -53.7 135.3 -13.9 19.5 -20.9 433 439 A G T 3 S+ 0 0 17 1,-0.2 -165,-0.4 -165,-0.1 2,-0.3 0.441 94.1 155.6 71.1 -0.7 -15.9 20.3 -17.7 434 440 A G < - 0 0 9 -3,-2.3 -1,-0.2 -166,-0.2 -167,-0.1 -0.420 44.4-151.7 -68.0 121.1 -14.4 17.2 -16.1 435 441 A I S S+ 0 0 83 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.935 95.3 20.3 -49.5 -48.9 -14.2 17.3 -12.3 436 442 A I S S- 0 0 61 -3,-0.0 2,-0.3 0, 0.0 -165,-0.2 -0.851 90.8-122.2-115.7 157.9 -11.2 15.1 -12.8 437 443 A K - 0 0 125 -2,-0.3 3,-0.1 -167,-0.1 -6,-0.0 -0.745 28.5-105.1 -99.3 149.3 -9.2 14.7 -16.0 438 444 A V - 0 0 7 -2,-0.3 5,-0.1 -11,-0.1 -7,-0.1 -0.560 50.2 -94.9 -69.3 130.0 -8.7 11.5 -17.9 439 445 A P > - 0 0 71 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.222 34.1-119.8 -47.5 130.5 -5.1 10.2 -17.3 440 446 A R T > S+ 0 0 202 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.622 108.7 69.4 -52.2 -15.0 -3.0 11.4 -20.2 441 447 A I T >> S+ 0 0 112 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.748 82.4 69.5 -78.5 -24.4 -2.3 7.8 -21.1 442 448 A Y H <> S+ 0 0 28 -3,-2.6 4,-3.1 1,-0.2 5,-0.3 0.673 80.6 78.2 -69.5 -16.9 -5.8 7.0 -22.3 443 449 A Y H <> S+ 0 0 34 -3,-0.6 4,-1.4 -4,-0.3 -1,-0.2 0.931 102.6 36.0 -55.3 -47.4 -5.3 9.2 -25.3 444 450 A Y H <>>S+ 0 0 116 -3,-0.8 4,-2.8 -4,-0.3 5,-1.2 0.858 113.8 58.3 -76.1 -37.4 -3.3 6.5 -27.0 445 451 A V H <>S+ 0 0 15 -4,-1.3 5,-3.7 1,-0.2 -2,-0.2 0.949 111.7 41.0 -54.0 -52.0 -5.5 3.7 -25.6 446 452 A M H <5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 117.8 48.3 -66.6 -33.8 -8.5 5.2 -27.2 447 453 A R H <5S- 0 0 75 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.832 136.1 -4.6 -80.6 -33.4 -6.7 6.0 -30.4 448 454 A Y T X5S+ 0 0 106 -4,-2.8 4,-2.4 -5,-0.1 5,-0.2 0.696 127.2 52.1-125.3 -55.7 -5.0 2.7 -31.1 449 455 A I H > S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.924 111.6 54.0 -57.6 -44.5 -10.0 0.2 -31.7 452 458 A A H X S+ 0 0 54 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 110.3 47.4 -53.4 -49.2 -7.5 -2.6 -32.3 453 459 A F H X S+ 0 0 56 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.966 111.1 48.9 -55.5 -58.1 -9.3 -4.7 -29.6 454 460 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.794 111.3 52.1 -56.8 -30.8 -12.8 -4.1 -31.0 455 461 A A H X S+ 0 0 35 -4,-2.2 4,-3.3 -5,-0.2 -1,-0.2 0.954 109.9 46.3 -70.0 -51.8 -11.5 -5.1 -34.4 456 462 A V H X>S+ 0 0 76 -4,-2.4 4,-1.7 2,-0.2 5,-0.6 0.907 114.0 50.7 -55.7 -44.0 -10.0 -8.4 -33.3 457 463 A L H X5S+ 0 0 14 -4,-2.8 4,-1.4 -5,-0.2 5,-0.3 0.967 114.3 42.1 -58.7 -55.3 -13.1 -9.1 -31.3 458 464 A L H X5S+ 0 0 33 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.923 124.4 37.8 -58.1 -46.2 -15.4 -8.4 -34.3 459 465 A V H X5S+ 0 0 69 -4,-3.3 4,-2.0 2,-0.2 3,-0.4 0.999 117.7 41.8 -72.1 -70.8 -13.2 -10.2 -36.8 460 466 A V H X5S+ 0 0 79 -4,-1.7 4,-0.6 1,-0.3 -3,-0.2 0.797 123.4 44.1 -48.4 -31.6 -11.7 -13.3 -35.0 461 467 A W H <X S+ 0 0 18 -4,-1.7 3,-1.1 -3,-0.4 4,-1.1 0.803 100.5 61.2 -69.3 -29.6 -17.2 -13.3 -36.7 463 469 A R H 3< S+ 0 0 193 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.905 111.8 37.8 -62.1 -41.8 -15.2 -15.9 -38.5 464 470 A E T 3< S+ 0 0 72 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.286 124.6 37.9-106.5 46.4 -16.4 -18.6 -36.1 465 471 A Y T X> S+ 0 0 14 -3,-1.1 4,-1.4 -2,-0.1 3,-1.0 0.288 102.9 52.7-150.7 -67.4 -20.0 -17.3 -35.6 466 472 A I H 3X S+ 0 0 50 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.876 99.9 64.7 -52.5 -46.7 -21.8 -15.9 -38.5 467 473 A P H 3> S+ 0 0 62 0, 0.0 4,-0.9 0, 0.0 5,-0.4 0.856 104.9 48.0 -47.0 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