==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-NOV-09 2WZF . COMPND 2 MOLECULE: GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR R.HURTADO-GUERRERO,T.ZUSMAN,S.PATHAK,A.F.M.IBRAHIM, . 515 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 1 0 2 3 3 3 1 0 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 2 0 0 0 0 1 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 . 2 0 0 0 0 0 0 1 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 9 A L > 0 0 119 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -16.8 23.9 47.3 23.5 2 10 A S H > + 0 0 74 1,-0.3 4,-1.1 2,-0.3 5,-0.0 0.843 360.0 20.5-108.0 -52.5 26.5 45.9 25.2 3 11 A K H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.616 119.9 64.1 -82.5 -15.3 26.9 42.1 25.4 4 12 A L H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -2,-0.3 0.925 103.3 47.4 -65.0 -46.8 24.8 41.9 22.2 5 13 A R H X S+ 0 0 76 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.920 112.4 50.2 -54.7 -43.8 27.6 43.8 20.6 6 14 A M H X S+ 0 0 121 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.824 110.9 47.3 -71.1 -32.7 30.0 41.4 22.1 7 15 A R H X S+ 0 0 131 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.869 110.6 54.1 -68.5 -39.7 28.0 38.4 20.9 8 16 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 108.3 47.7 -63.0 -44.2 27.8 40.0 17.4 9 17 A F H <>S+ 0 0 38 -4,-2.3 5,-3.7 1,-0.2 6,-0.3 0.858 113.6 48.2 -63.9 -39.8 31.6 40.4 17.2 10 18 A S H ><5S+ 0 0 72 -4,-1.4 3,-1.3 3,-0.2 -2,-0.2 0.904 109.5 51.9 -67.3 -43.2 32.1 36.8 18.3 11 19 A A H 3<5S+ 0 0 9 -4,-2.7 30,-0.3 1,-0.3 -2,-0.2 0.890 112.6 46.0 -60.2 -41.0 29.6 35.5 15.8 12 20 A L T ><5S- 0 0 3 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.3 0.281 118.6-115.1 -89.9 9.7 31.4 37.4 13.0 13 21 A N T < 5 - 0 0 93 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.744 49.3 -81.8 74.6 25.0 34.7 36.1 14.3 14 22 A H T 3 - 0 0 84 -2,-0.3 4,-1.8 1,-0.2 -3,-0.1 -0.841 31.0-171.9 -97.6 109.5 34.9 47.4 10.7 20 28 A L H > S+ 0 0 12 -2,-0.8 4,-3.9 -5,-0.5 5,-0.2 0.849 80.5 59.7 -71.2 -33.6 32.5 45.6 13.0 21 29 A Q H > S+ 0 0 71 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.961 108.4 44.1 -59.7 -50.6 31.8 48.6 15.3 22 30 A V H > S+ 0 0 51 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.920 115.1 50.0 -61.3 -42.0 30.5 50.6 12.4 23 31 A L H >X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 3,-0.9 0.974 110.9 49.0 -57.5 -56.0 28.5 47.6 11.1 24 32 A F H >X S+ 0 0 3 -4,-3.9 4,-2.5 1,-0.2 3,-1.1 0.903 104.8 59.5 -48.7 -47.6 27.1 47.1 14.6 25 33 A N H 3< S+ 0 0 77 -4,-2.9 -1,-0.2 1,-0.3 4,-0.2 0.850 109.0 43.2 -53.0 -38.6 26.1 50.7 14.9 26 34 A D H << S+ 0 0 81 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.610 121.3 40.9 -84.6 -12.3 23.9 50.4 11.8 27 35 A L H XX S+ 0 0 1 -3,-1.1 4,-2.7 -4,-1.0 3,-1.8 0.553 84.0 94.8-108.9 -12.2 22.4 47.1 12.9 28 36 A K T 3< S+ 0 0 106 -4,-2.5 -3,-0.1 1,-0.3 -2,-0.1 0.751 80.9 63.1 -53.7 -24.0 22.0 47.8 16.6 29 37 A S T 34 S+ 0 0 97 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.793 118.6 20.0 -71.0 -32.2 18.3 48.8 15.8 30 38 A I T <4 S+ 0 0 38 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.1 0.612 96.5 108.0-115.5 -17.1 17.3 45.4 14.5 31 39 A L < + 0 0 9 -4,-2.7 2,-0.3 -7,-0.2 -27,-0.1 -0.351 42.3 176.1 -60.7 140.5 19.8 43.0 16.0 32 40 A T > - 0 0 46 1,-0.1 4,-1.1 -28,-0.1 3,-0.1 -0.929 44.6-109.9-136.4 163.3 18.6 40.7 18.8 33 41 A L H > S+ 0 0 78 -2,-0.3 4,-0.9 1,-0.2 3,-0.4 0.898 117.9 55.7 -59.1 -39.4 20.3 38.0 20.8 34 42 A D H 4 S+ 0 0 90 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.881 105.2 49.9 -59.0 -43.3 18.0 35.4 19.1 35 43 A S H >4 S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.759 97.6 70.1 -72.6 -21.7 19.1 36.4 15.5 36 44 A I H >X S+ 0 0 8 -4,-1.1 3,-2.4 -3,-0.4 4,-0.7 0.872 87.5 63.2 -65.0 -40.1 22.8 36.2 16.4 37 45 A E G >< S+ 0 0 98 -4,-0.9 3,-0.5 -3,-0.4 -1,-0.3 0.815 100.1 56.0 -49.0 -32.4 22.7 32.4 16.6 38 46 A H G <4 S+ 0 0 11 -3,-0.9 7,-0.5 -4,-0.4 -1,-0.3 0.308 104.7 52.8 -90.2 11.8 21.8 32.5 13.0 39 47 A L G <4 S+ 0 0 0 -3,-2.4 -1,-0.2 6,-0.1 -2,-0.2 0.454 86.4 104.6-118.2 -12.1 24.9 34.4 12.1 40 48 A K S X< S- 0 0 108 -4,-0.7 3,-1.9 -3,-0.5 6,-0.4 -0.179 88.8 -71.7 -71.3 163.9 27.5 32.2 13.8 41 49 A E T 3 S+ 0 0 153 1,-0.3 -1,-0.2 -30,-0.3 3,-0.1 -0.280 124.2 44.1 -52.4 141.2 29.8 29.8 11.9 42 50 A G T 3 S+ 0 0 51 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.211 95.2 107.5 96.0 -13.8 27.8 26.9 10.6 43 51 A S S <> S- 0 0 6 -3,-1.9 4,-1.6 1,-0.1 -1,-0.4 -0.577 76.7-126.8 -92.9 160.2 25.1 29.3 9.4 44 52 A V H > S+ 0 0 0 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 112.0 55.0 -65.1 -41.9 24.3 30.3 5.8 45 53 A A H > S+ 0 0 0 -7,-0.5 4,-2.7 1,-0.2 5,-0.2 0.937 106.7 50.6 -59.8 -45.7 24.5 33.9 6.7 46 54 A Y H > S+ 0 0 24 -6,-0.4 4,-2.1 -8,-0.3 -1,-0.2 0.928 111.3 47.8 -56.4 -47.8 28.0 33.4 8.1 47 55 A A H X S+ 0 0 31 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.884 110.7 51.6 -63.3 -39.5 29.1 31.6 4.9 48 56 A I H >X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-0.5 0.945 109.6 50.4 -61.6 -47.0 27.7 34.4 2.8 49 57 A I H 3X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.868 104.6 56.7 -56.9 -41.4 29.6 37.0 4.8 50 58 A Q H 3< S+ 0 0 48 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.829 109.9 46.3 -63.0 -30.3 32.9 35.1 4.4 51 59 A E H X< S+ 0 0 104 -4,-1.2 3,-0.6 -3,-0.5 -1,-0.2 0.840 110.1 51.9 -80.0 -34.4 32.5 35.3 0.7 52 60 A L H >< S+ 0 0 4 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.835 100.1 65.2 -69.4 -31.2 31.5 39.0 0.7 53 61 A L T 3< S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 99.7 52.5 -57.6 -29.8 34.6 39.6 2.8 54 62 A K T < S+ 0 0 147 -3,-0.6 -1,-0.3 -4,-0.4 2,-0.2 0.396 103.2 70.9 -92.1 3.5 36.7 38.6 -0.2 55 63 A Q S X S- 0 0 94 -3,-1.7 3,-0.6 -4,-0.1 2,-0.0 -0.724 92.3 -85.8-114.6 169.1 35.0 41.0 -2.6 56 64 A D T 3 S+ 0 0 145 -2,-0.2 -1,-0.1 1,-0.2 5,-0.1 -0.297 107.1 26.8 -68.9 153.4 35.1 44.7 -3.0 57 65 A D T 3> S+ 0 0 80 3,-0.1 4,-2.8 1,-0.1 5,-0.3 0.791 72.0 157.8 70.3 28.1 32.8 47.0 -1.0 58 66 A A H <> + 0 0 12 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.882 65.9 56.3 -53.4 -47.4 32.5 44.4 1.8 59 67 A Q H > S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.945 116.1 35.6 -51.7 -54.0 31.5 47.0 4.4 60 68 A N H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.904 118.1 50.1 -68.1 -44.0 28.5 48.2 2.5 61 69 A K H X S+ 0 0 77 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.896 112.2 47.9 -66.6 -39.1 27.5 44.8 1.0 62 70 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.3 -1,-0.2 0.877 111.1 51.4 -67.3 -37.8 27.6 43.1 4.3 63 71 A Q H X S+ 0 0 52 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.915 113.6 42.4 -68.6 -44.5 25.6 45.8 6.0 64 72 A S H X S+ 0 0 77 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.908 116.1 50.5 -69.3 -39.1 22.8 45.7 3.4 65 73 A F H X S+ 0 0 2 -4,-2.4 4,-3.2 -5,-0.3 5,-0.2 0.981 113.9 44.0 -57.0 -59.1 22.9 41.9 3.4 66 74 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.886 112.4 51.7 -52.9 -45.9 22.7 41.7 7.1 67 75 A H H X S+ 0 0 70 -4,-2.3 4,-2.1 -5,-0.2 5,-0.3 0.938 116.1 40.1 -64.5 -44.6 19.9 44.3 7.4 68 76 A G H X S+ 0 0 12 -4,-2.2 4,-2.6 -5,-0.2 5,-0.4 0.928 115.8 50.5 -65.9 -47.1 17.8 42.6 4.9 69 77 A A H X>S+ 0 0 0 -4,-3.2 5,-2.5 -5,-0.3 4,-2.1 0.936 115.9 41.7 -58.3 -48.4 18.5 39.0 6.1 70 78 A I H <>S+ 0 0 0 -4,-2.8 5,-2.7 -5,-0.2 -2,-0.2 0.974 120.0 41.0 -65.4 -55.1 17.7 39.9 9.7 71 79 A K H <5S+ 0 0 112 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.909 128.4 28.9 -58.9 -46.2 14.6 42.0 9.1 72 80 A N H <5S+ 0 0 100 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.670 135.1 11.9 -95.9 -21.6 13.1 39.9 6.4 73 81 A V T X5S+ 0 0 17 -4,-2.1 4,-1.8 -5,-0.4 -3,-0.2 0.746 122.2 40.1-122.6 -59.0 14.2 36.3 7.1 74 82 A I H > S+ 0 0 61 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.886 114.7 52.8 -59.4 -34.6 10.4 36.6 11.2 77 85 A G H X>S+ 0 0 3 -4,-1.8 5,-2.2 2,-0.2 4,-0.8 0.952 107.2 49.5 -63.9 -50.2 11.7 33.0 11.3 78 86 A V H ><5S+ 0 0 32 -4,-3.1 3,-1.2 1,-0.2 -1,-0.2 0.924 111.0 50.4 -52.7 -47.7 12.7 33.1 14.9 79 87 A I H 3<5S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.7 53.9 -63.7 -30.0 9.3 34.5 15.9 80 88 A K H 3<5S- 0 0 94 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.574 118.5-109.1 -76.9 -14.6 7.5 31.7 13.9 81 89 A G T <<5 + 0 0 19 -3,-1.2 174,-0.5 -4,-0.8 -3,-0.2 0.734 58.4 167.0 85.3 24.5 9.4 28.9 15.7 82 90 A L < - 0 0 16 -5,-2.2 -1,-0.2 -6,-0.2 174,-0.0 -0.409 33.5-121.1 -66.4 145.1 11.6 28.0 12.7 83 91 A T > - 0 0 28 394,-0.2 4,-2.7 -2,-0.1 5,-0.2 -0.369 27.5-103.4 -80.7 166.5 14.6 25.8 13.4 84 92 A P H > S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.871 125.3 51.4 -56.2 -35.0 18.2 26.8 12.6 85 93 A D H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.902 110.0 47.1 -68.2 -42.5 18.0 24.5 9.6 86 94 A E H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 112.8 50.1 -65.4 -41.9 14.7 26.0 8.3 87 95 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.922 108.2 54.0 -59.6 -47.0 16.2 29.5 8.8 88 96 A N H X S+ 0 0 10 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.919 108.4 48.1 -55.7 -46.6 19.3 28.5 6.9 89 97 A W H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.900 109.8 53.3 -62.6 -39.3 17.3 27.4 3.9 90 98 A N H X S+ 0 0 34 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.846 109.8 47.7 -64.9 -34.4 15.2 30.6 4.0 91 99 A V H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.907 113.4 46.9 -69.0 -45.3 18.4 32.7 3.9 92 100 A A H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 7,-0.3 0.919 113.4 49.2 -62.8 -40.9 19.9 30.7 1.0 93 101 A K H < S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 111.0 49.4 -68.1 -35.1 16.6 30.9 -0.9 94 102 A A H < S+ 0 0 52 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.710 121.3 34.8 -76.7 -21.0 16.4 34.6 -0.4 95 103 A Y >X + 0 0 47 -4,-1.3 4,-1.6 -3,-0.3 3,-0.7 -0.481 69.2 159.7-130.9 61.3 20.0 35.2 -1.6 96 104 A P T 34 S+ 0 0 66 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.715 74.5 50.0 -64.9 -22.9 20.6 32.6 -4.3 97 105 A K T 34 S+ 0 0 178 1,-0.2 3,-0.3 3,-0.1 -2,-0.0 0.778 110.7 48.2 -87.6 -24.8 23.5 34.5 -5.9 98 106 A Y T <4 S+ 0 0 81 -3,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.736 126.3 29.4 -78.8 -25.8 25.4 35.0 -2.6 99 107 A Y S < S- 0 0 46 -4,-1.6 -1,-0.3 -7,-0.3 -4,-0.1 -0.667 82.6-153.7-139.6 83.9 24.9 31.3 -1.8 100 108 A E + 0 0 160 -3,-0.3 2,-0.3 -2,-0.3 -3,-0.1 -0.276 27.5 159.5 -59.6 135.0 24.6 29.0 -4.8 101 109 A H - 0 0 60 -5,-0.2 2,-0.1 -9,-0.1 -2,-0.0 -0.986 40.3 -95.5-153.0 160.2 22.6 25.8 -4.1 102 110 A E - 0 0 127 -2,-0.3 368,-0.1 1,-0.1 0, 0.0 -0.334 54.8 -86.8 -68.7 157.8 20.6 23.0 -5.8 103 111 A E - 0 0 166 1,-0.1 -1,-0.1 366,-0.1 0, 0.0 -0.219 40.3-102.1 -60.5 154.5 16.8 23.2 -6.1 104 112 A F - 0 0 30 1,-0.0 365,-0.2 370,-0.0 -1,-0.1 -0.739 50.7-129.6 -73.6 115.7 14.4 22.0 -3.5 105 113 A P - 0 0 32 0, 0.0 2,-0.6 0, 0.0 365,-0.1 -0.259 14.2-102.9 -74.2 159.6 13.3 18.6 -4.8 106 114 A D + 0 0 109 7,-0.1 2,-0.4 2,-0.0 9,-0.1 -0.724 46.8 177.1 -78.5 114.3 9.7 17.3 -5.3 107 115 A V - 0 0 6 -2,-0.6 7,-3.1 7,-0.3 2,-0.5 -0.989 19.5-148.7-127.7 126.3 9.1 14.9 -2.5 108 116 A T E +A 113 0A 80 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.846 18.2 175.3 -98.5 126.2 5.8 13.1 -1.9 109 117 A F E > S-A 112 0A 1 3,-3.3 3,-1.6 -2,-0.5 341,-0.2 -0.954 74.8 -21.1-133.6 108.7 4.8 12.4 1.7 110 118 A G T 3 S- 0 0 1 339,-2.3 193,-0.1 -2,-0.4 340,-0.1 0.842 128.3 -50.4 61.5 35.3 1.4 10.8 2.4 111 119 A G T 3 S+ 0 0 60 338,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.413 118.6 113.5 82.3 -3.6 0.1 12.1 -1.0 112 120 A F E < -A 109 0A 23 -3,-1.6 -3,-3.3 188,-0.0 2,-0.6 -0.851 69.1-130.1-102.2 135.1 1.4 15.6 -0.2 113 121 A K E -A 108 0A 106 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.756 40.1-114.6 -73.5 121.0 4.2 17.4 -2.1 114 122 A V - 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0 0 2 -33,-2.7 -170,-0.2 -2,-0.5 5,-0.2 -0.475 14.9-129.1 -76.1 145.8 -1.3 20.6 12.3 293 301 A N S S+ 0 0 79 -172,-1.3 -1,-0.1 -2,-0.2 -171,-0.1 0.673 80.1 111.5 -66.0 -14.9 -4.3 22.7 13.1 294 302 A D S > S- 0 0 40 -173,-0.4 3,-1.5 1,-0.1 4,-0.3 -0.247 78.3-126.7 -58.6 145.6 -4.7 23.0 9.3 295 303 A K T >> S+ 0 0 149 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.649 103.0 76.2 -73.0 -13.1 -7.7 21.3 7.7 296 304 A R H 3> S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.658 76.7 77.8 -73.3 -12.9 -5.4 19.4 5.3 297 305 A T H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.904 88.7 56.7 -56.5 -42.2 -4.5 17.2 8.3 298 306 A Q H <> S+ 0 0 74 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.859 105.0 50.5 -61.0 -37.5 -7.9 15.4 7.7 299 307 A K H X S+ 0 0 135 -4,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.929 111.5 46.6 -67.7 -45.6 -7.0 14.6 4.1 300 308 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.932 112.8 51.8 -59.2 -44.1 -3.6 13.1 5.0 301 309 A M H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.896 108.0 50.2 -60.6 -42.0 -5.3 11.2 7.8 302 310 A D H X S+ 0 0 77 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.817 106.4 56.2 -70.7 -29.6 -8.0 9.7 5.5 303 311 A T H X S+ 0 0 36 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.931 112.3 42.4 -61.0 -48.5 -5.3 8.6 3.1 304 312 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.906 111.8 53.9 -64.2 -44.6 -3.6 6.6 5.9 305 313 A A H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.882 107.9 50.2 -61.5 -38.0 -6.9 5.3 7.3 306 314 A R H X S+ 0 0 125 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.900 109.8 50.6 -69.2 -38.1 -7.9 3.9 3.9 307 315 A Y H X S+ 0 0 97 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.946 112.6 46.6 -60.8 -50.1 -4.5 2.1 3.5 308 316 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.907 109.5 54.3 -58.4 -46.8 -4.9 0.6 7.0 309 317 A K H X S+ 0 0 82 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.893 107.0 51.3 -54.2 -43.2 -8.5 -0.5 6.3 310 318 A N H X S+ 0 0 98 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.873 106.6 54.7 -64.3 -35.9 -7.3 -2.3 3.2 311 319 A I H >< S+ 0 0 15 -4,-1.7 3,-0.6 1,-0.2 -2,-0.2 0.908 107.5 48.9 -62.4 -43.3 -4.7 -4.1 5.2 312 320 A Y H 3< S+ 0 0 22 -4,-1.9 28,-0.3 1,-0.2 -1,-0.2 0.807 106.4 56.7 -67.9 -30.7 -7.2 -5.5 7.7 313 321 A D H 3< S+ 0 0 98 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 131.4 9.8 -67.2 -26.0 -9.4 -6.7 4.8 314 322 A D XX + 0 0 75 -4,-1.0 3,-0.7 -3,-0.6 4,-0.7 -0.524 67.4 167.7-157.3 78.9 -6.5 -8.7 3.6 315 323 A P H 3> + 0 0 5 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.682 66.2 79.0 -70.1 -19.8 -3.5 -8.9 6.0 316 324 A Y H 34 S+ 0 0 10 1,-0.2 4,-0.2 2,-0.2 18,-0.1 0.845 92.3 49.6 -63.9 -33.8 -1.7 -11.7 4.1 317 325 A T H X4 S+ 0 0 80 -3,-0.7 3,-1.4 1,-0.2 4,-0.2 0.935 108.9 51.0 -69.2 -46.3 -0.3 -9.4 1.4 318 326 A A H 3< S+ 0 0 35 -4,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.820 116.7 43.4 -57.0 -30.2 1.1 -6.9 4.0 319 327 A L T >< S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.2 6,-0.4 0.387 78.0 111.7 -99.1 5.1 2.8 -9.9 5.7 320 328 A K T < S+ 0 0 132 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.743 83.9 39.7 -55.2 -28.0 4.0 -11.7 2.6 321 329 A D T 3 S+ 0 0 144 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.265 93.1 103.7-107.6 10.0 7.7 -11.0 3.4 322 330 A T S X S- 0 0 15 -3,-2.3 3,-1.1 1,-0.1 4,-0.2 -0.486 85.6-105.1 -86.9 163.6 7.7 -11.5 7.2 323 331 A P G > S+ 0 0 41 0, 0.0 3,-1.7 0, 0.0 108,-0.2 0.834 117.7 61.0 -55.5 -35.8 9.0 -14.7 8.9 324 332 A L G > S+ 0 0 0 106,-0.3 3,-1.9 1,-0.3 6,-0.4 0.779 89.2 70.9 -67.8 -24.7 5.5 -16.0 9.6 325 333 A A G < S+ 0 0 19 -3,-1.1 -1,-0.3 -6,-0.4 -5,-0.1 0.619 89.0 64.4 -63.1 -14.0 4.8 -16.1 5.8 326 334 A Q G < S+ 0 0 94 -3,-1.7 41,-0.4 -4,-0.2 -1,-0.3 0.411 88.8 93.5 -89.1 0.1 7.2 -19.0 5.6 327 335 A T S <> S- 0 0 0 -3,-1.9 4,-1.6 1,-0.1 37,-0.2 -0.652 76.4-131.6-101.6 153.2 5.0 -21.3 7.8 328 336 A A H > S+ 0 0 41 35,-0.4 4,-2.4 34,-0.3 35,-0.2 0.860 109.5 59.8 -63.9 -37.0 2.3 -23.8 6.9 329 337 A F H > S+ 0 0 29 33,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.931 104.0 49.7 -56.0 -46.8 0.1 -22.2 9.5 330 338 A F H > S+ 0 0 5 -6,-0.4 4,-2.5 32,-0.3 -1,-0.2 0.918 110.3 49.2 -60.6 -45.3 0.2 -18.9 7.6 331 339 A N H X S+ 0 0 86 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.908 111.2 51.3 -61.6 -41.4 -0.6 -20.5 4.3 332 340 A K H X S+ 0 0 115 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 110.9 46.6 -60.4 -49.3 -3.6 -22.3 5.9 333 341 A C H X>S+ 0 0 4 -4,-2.5 5,-2.3 2,-0.2 4,-0.5 0.916 111.9 51.9 -59.0 -44.4 -4.9 -19.1 7.4 334 342 A Q H ><5S+ 0 0 84 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.943 110.6 47.3 -60.0 -48.2 -4.5 -17.3 4.1 335 343 A E H 3<5S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 116.0 45.2 -61.3 -33.6 -6.4 -20.0 2.2 336 344 A E H 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.412 108.3-125.1 -91.6 3.9 -9.2 -19.9 4.9 337 345 A R T <<5 - 0 0 215 -3,-1.3 -3,-0.2 -4,-0.5 -4,-0.1 0.879 42.8-178.3 52.7 42.4 -9.3 -16.1 5.0 338 346 A K < - 0 0 80 -5,-2.3 -1,-0.1 -6,-0.1 2,-0.0 -0.385 27.6-107.2 -68.0 149.9 -8.8 -16.1 8.7 339 347 A S > - 0 0 45 1,-0.1 4,-2.0 -25,-0.1 3,-0.2 -0.282 28.8-106.2 -71.0 161.6 -8.8 -12.7 10.5 340 348 A I H > S+ 0 0 4 -28,-0.3 4,-2.4 1,-0.2 5,-0.2 0.862 122.8 57.9 -55.4 -35.5 -5.6 -11.1 11.8 341 349 A F H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 105.0 47.2 -62.9 -44.6 -6.8 -12.0 15.2 342 350 A D H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 111.9 53.8 -64.2 -35.4 -7.1 -15.8 14.4 343 351 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.930 112.1 41.6 -61.5 -49.7 -3.6 -15.5 12.9 344 352 A R H X S+ 0 0 0 -4,-2.4 4,-2.1 -130,-0.2 -2,-0.2 0.904 115.3 51.2 -66.8 -40.1 -2.1 -13.9 16.1 345 353 A K H X S+ 0 0 57 -4,-2.6 4,-2.9 -132,-0.3 -2,-0.2 0.900 107.5 51.9 -66.0 -42.6 -3.9 -16.4 18.3 346 354 A G H X S+ 0 0 14 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.867 109.8 50.8 -60.2 -37.9 -2.8 -19.4 16.4 347 355 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.935 112.1 45.3 -65.2 -47.4 0.8 -18.3 16.7 348 356 A Q H X S+ 0 0 47 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.901 113.8 50.4 -64.2 -41.4 0.5 -17.8 20.4 349 357 A D H >X S+ 0 0 55 -4,-2.9 3,-1.1 1,-0.2 4,-0.7 0.925 106.5 54.3 -63.5 -44.5 -1.2 -21.1 20.8 350 358 A A H >< S+ 0 0 13 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.885 108.3 51.2 -55.2 -39.0 1.4 -23.0 18.8 351 359 A F H 3< S+ 0 0 18 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.574 111.0 45.0 -84.7 -8.0 4.1 -21.6 21.1 352 360 A R H << S+ 0 0 173 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.403 89.2 92.9-104.1 2.0 2.4 -22.7 24.4 353 361 A S S << S- 0 0 34 -4,-0.7 -2,-0.1 -3,-0.7 -3,-0.1 0.774 71.2-152.8 -67.0 -30.8 1.6 -26.1 23.1 354 362 A D + 0 0 94 -4,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.612 55.7 122.4 66.9 9.7 4.7 -27.9 24.4 355 363 A S > - 0 0 9 -5,-0.3 4,-2.0 1,-0.1 -1,-0.2 -0.909 53.0-161.2-111.8 124.9 4.3 -30.4 21.5 356 364 A L H > S+ 0 0 0 -2,-0.5 4,-2.6 2,-0.2 -1,-0.1 0.869 97.3 53.1 -67.2 -35.8 6.9 -31.1 18.9 357 365 A L H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 109.7 46.4 -63.9 -46.6 4.3 -32.6 16.6 358 366 A Q H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 111.5 53.8 -61.9 -37.8 2.1 -29.5 16.9 359 367 A L H X S+ 0 0 6 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.938 108.6 48.1 -60.8 -48.5 5.2 -27.4 16.3 360 368 A Y H X S+ 0 0 20 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.936 111.2 50.2 -56.6 -47.9 6.0 -29.3 13.1 361 369 A D H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 114.0 46.7 -61.7 -34.7 2.4 -28.9 11.9 362 370 A F H < S+ 0 0 12 -4,-2.1 -33,-2.5 -5,-0.2 -34,-0.3 0.958 118.9 37.4 -69.5 -51.8 2.6 -25.2 12.6 363 371 A L H X S- 0 0 3 -4,-3.0 4,-0.5 -36,-0.2 -35,-0.4 0.824 99.1-141.9 -72.1 -35.9 6.0 -24.5 10.9 364 372 A G H X - 0 0 13 -4,-2.8 4,-2.3 -5,-0.3 5,-0.3 -0.009 36.5 -64.4 83.4 162.6 5.7 -26.8 7.9 365 373 A A H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.894 129.0 42.7 -49.2 -53.8 8.5 -28.9 6.4 366 374 A D H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 116.6 42.9 -69.3 -48.8 10.8 -26.1 5.2 367 375 A K H X S+ 0 0 14 -4,-0.5 4,-3.1 -41,-0.4 5,-0.2 0.903 113.7 54.6 -64.2 -38.9 10.7 -23.7 8.2 368 376 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 106.4 52.0 -58.3 -47.1 11.0 -26.7 10.5 369 377 A K H <>S+ 0 0 68 -4,-2.3 5,-2.4 -5,-0.3 -1,-0.2 0.891 114.1 42.8 -56.3 -41.2 14.2 -27.8 8.7 370 378 A E H ><5S+ 0 0 99 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.934 110.4 54.0 -76.0 -42.6 15.7 -24.3 9.1 371 379 A V H 3<5S+ 0 0 13 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.934 121.4 31.8 -52.9 -48.1 14.7 -23.7 12.7 372 380 A F T 3<5S- 0 0 22 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.335 106.2-127.8 -95.2 7.4 16.3 -27.0 13.8 373 381 A K T < 5 - 0 0 186 -3,-1.0 -3,-0.2 -4,-0.2 2,-0.2 0.917 41.7-175.8 46.0 58.6 19.0 -26.8 11.1 374 382 A L < - 0 0 10 -5,-2.4 -1,-0.1 -6,-0.2 2,-0.1 -0.533 26.8-113.0 -87.7 150.1 18.3 -30.3 9.8 375 383 A K > - 0 0 116 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.437 33.6-109.9 -74.6 154.5 20.3 -32.1 7.1 376 384 A E H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.834 116.8 48.0 -59.1 -36.4 18.4 -32.7 3.9 377 385 A A H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 112.3 48.4 -71.2 -44.2 18.1 -36.5 4.3 378 386 A Q H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.858 114.0 48.3 -61.2 -37.5 16.9 -36.2 7.9 379 387 A S H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.902 111.1 48.6 -73.3 -43.0 14.3 -33.6 6.8 380 388 A K H X S+ 0 0 112 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.887 110.8 51.9 -61.0 -41.6 13.1 -35.7 3.9 381 389 A Y H X S+ 0 0 103 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.942 111.9 45.4 -62.5 -46.2 12.7 -38.7 6.2 382 390 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-0.4 0.927 112.0 51.2 -62.9 -46.7 10.7 -36.7 8.7 383 391 A N H < S+ 0 0 56 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.847 112.8 47.6 -61.6 -31.5 8.5 -35.1 6.0 384 392 A E H < S+ 0 0 110 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.756 124.2 27.7 -83.2 -23.7 7.8 -38.6 4.6 385 393 A H H >< S+ 0 0 54 -4,-1.6 3,-2.7 -3,-0.4 -2,-0.2 0.501 85.9 99.2-116.2 -3.6 7.0 -40.4 7.8 386 394 A I G >< S+ 0 0 27 -4,-2.3 3,-1.9 1,-0.3 -3,-0.1 0.792 72.3 72.5 -60.8 -24.0 5.6 -37.7 10.1 387 395 A S G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.551 109.5 33.5 -66.1 -3.6 2.1 -38.8 9.3 388 396 A E G < S+ 0 0 136 -3,-2.7 -1,-0.3 2,-0.1 2,-0.3 0.027 96.8 119.8-135.0 27.9 2.8 -41.9 11.4 389 397 A F < - 0 0 26 -3,-1.9 2,-0.2 -7,-0.1 -3,-0.0 -0.676 48.0-151.0 -95.5 148.9 5.1 -40.4 14.0 390 398 A S > - 0 0 54 -2,-0.3 4,-2.1 1,-0.0 5,-0.2 -0.568 41.9 -98.4 -95.1 172.0 4.7 -40.2 17.8 391 399 A E H > S+ 0 0 53 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.899 128.9 51.8 -55.2 -42.0 6.2 -37.3 19.8 392 400 A K H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.904 104.9 53.6 -64.2 -45.8 9.0 -39.7 20.5 393 401 A D H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 112.4 45.4 -50.2 -51.4 9.6 -40.6 16.9 394 402 A L H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.924 112.6 50.2 -62.2 -45.0 9.9 -36.9 16.0 395 403 A L H >X S+ 0 0 8 -4,-2.4 4,-1.9 1,-0.2 3,-0.6 0.899 109.8 50.6 -61.5 -41.9 12.2 -36.2 19.0 396 404 A L H 3X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.893 109.1 50.9 -62.9 -41.2 14.6 -39.1 18.1 397 405 A N H 3< S+ 0 0 10 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.608 109.2 52.8 -72.3 -14.6 14.8 -37.9 14.5 398 406 A L H << S+ 0 0 9 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.824 109.9 47.2 -83.2 -40.1 15.7 -34.4 15.8 399 407 A I H < S+ 0 0 55 -4,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.890 127.2 8.7 -67.1 -40.8 18.5 -35.7 18.0 400 408 A S < - 0 0 26 -4,-2.1 -1,-0.2 -5,-0.2 6,-0.0 -0.998 49.4-141.9-147.7 144.1 20.0 -37.9 15.3 401 409 A D S S+ 0 0 91 -2,-0.3 -4,-0.1 1,-0.3 3,-0.1 0.452 112.3 50.1 -78.0 -0.9 19.9 -38.7 11.6 402 410 A K S >> S+ 0 0 126 -6,-0.2 3,-2.8 1,-0.1 4,-0.7 -0.499 71.4 176.5-129.3 64.9 20.4 -42.3 12.7 403 411 A P T 34 S+ 0 0 31 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.708 76.8 62.9 -43.8 -25.6 17.8 -42.6 15.5 404 412 A S T 34 S+ 0 0 119 1,-0.2 4,-0.1 -3,-0.1 -3,-0.0 0.849 93.7 59.7 -72.3 -34.1 18.8 -46.3 15.9 405 413 A E T <4 S+ 0 0 160 -3,-2.8 2,-0.3 2,-0.1 -1,-0.2 0.758 84.6 102.5 -64.3 -24.3 22.3 -45.4 17.0 406 414 A I S < S- 0 0 28 -4,-0.7 2,-1.4 -3,-0.5 3,-0.1 -0.453 73.7-134.4 -73.7 122.0 20.9 -43.4 20.0 407 415 A S >> - 0 0 50 -2,-0.3 3,-1.3 1,-0.2 4,-0.7 -0.604 24.2-176.8 -71.1 94.8 21.0 -45.1 23.4 408 416 A Q T 34 S+ 0 0 71 -2,-1.4 -1,-0.2 1,-0.3 3,-0.2 0.731 75.5 69.4 -67.9 -22.6 17.5 -44.3 24.5 409 417 A H T 34 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.677 106.8 37.9 -73.6 -15.0 18.1 -45.9 27.8 410 418 A T T <4 S+ 0 0 106 -3,-1.3 -1,-0.2 2,-0.0 2,-0.2 0.507 95.9 107.3-105.1 -10.3 20.5 -43.1 28.7 411 419 A L < - 0 0 44 -4,-0.7 2,-0.9 -3,-0.2 3,-0.1 -0.493 62.6-144.2 -74.8 134.0 18.5 -40.3 27.1 412 420 A D > - 0 0 85 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.858 18.3-174.1 -92.0 100.4 16.6 -37.8 29.2 413 421 A F H > S+ 0 0 59 -2,-0.9 4,-2.5 2,-0.2 5,-0.2 0.839 79.3 53.0 -68.3 -34.9 13.5 -37.3 27.0 414 422 A V H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.952 113.2 43.4 -65.8 -48.3 12.0 -34.5 29.1 415 423 A K H > S+ 0 0 157 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.886 114.5 50.9 -61.2 -42.2 15.2 -32.5 29.0 416 424 A A H X S+ 0 0 11 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 111.5 46.6 -64.5 -46.5 15.6 -33.2 25.2 417 425 A K H X S+ 0 0 59 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.952 111.7 51.3 -58.2 -51.9 12.1 -32.1 24.3 418 426 A A H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.864 107.7 54.4 -53.6 -40.5 12.4 -29.0 26.4 419 427 A M H X S+ 0 0 91 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.894 111.8 42.3 -62.2 -44.2 15.6 -28.1 24.7 420 428 A Y H X S+ 0 0 32 -4,-1.8 4,-1.9 -3,-0.3 -2,-0.2 0.929 112.1 52.9 -73.0 -43.0 14.1 -28.3 21.2 421 429 A I H X S+ 0 0 12 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.916 108.6 54.8 -52.6 -42.6 10.9 -26.5 22.2 422 430 A D H X S+ 0 0 101 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.881 103.9 51.3 -59.4 -46.0 13.2 -23.8 23.5 423 431 A I H < S+ 0 0 68 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.884 111.8 48.3 -59.0 -41.5 15.1 -23.4 20.2 424 432 A A H >< S+ 0 0 1 -4,-1.9 3,-1.8 1,-0.2 4,-0.2 0.897 105.3 58.4 -67.9 -39.1 11.8 -22.9 18.4 425 433 A K H >< S+ 0 0 98 -4,-2.2 3,-1.3 1,-0.3 4,-0.4 0.714 87.0 74.8 -67.8 -19.6 10.5 -20.4 21.0 426 434 A E T 3< S+ 0 0 167 -4,-1.0 -1,-0.3 -3,-0.4 4,-0.2 0.584 95.6 55.0 -64.3 -8.0 13.4 -18.1 20.3 427 435 A H T <> S+ 0 0 63 -3,-1.8 4,-1.7 1,-0.1 3,-0.4 0.580 79.4 94.2-100.5 -12.7 11.5 -17.3 17.1 428 436 A Y H <> S+ 0 0 27 -3,-1.3 4,-2.6 -4,-0.2 3,-0.4 0.882 85.1 46.3 -49.2 -52.2 8.2 -16.3 18.7 429 437 A S H > S+ 0 0 47 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.851 110.9 51.9 -68.6 -31.9 8.8 -12.5 18.8 430 438 A A H 4 S+ 0 0 45 -3,-0.4 -106,-0.3 -4,-0.2 -1,-0.2 0.785 114.0 45.8 -70.6 -27.8 10.1 -12.3 15.2 431 439 A F H < S+ 0 0 2 -4,-1.7 4,-0.3 -3,-0.4 -107,-0.3 0.881 120.8 38.7 -73.2 -43.7 7.0 -14.2 14.1 432 440 A Y H >< S+ 0 0 0 -4,-2.6 3,-2.3 -5,-0.2 4,-0.4 0.910 98.9 67.3 -81.0 -46.3 4.7 -12.0 16.2 433 441 A K T >X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.3 3,-1.9 0.853 97.9 55.0 -52.3 -42.0 5.9 -8.4 16.1 434 442 A P H 3> S+ 0 0 14 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.735 91.8 73.6 -63.9 -20.4 5.1 -7.9 12.4 435 443 A L H <4 S+ 0 0 0 -3,-2.3 -2,-0.2 -4,-0.3 -91,-0.1 0.636 115.5 23.2 -67.7 -13.9 1.5 -9.0 13.1 436 444 A V H X>>S+ 0 0 2 -3,-1.9 4,-2.8 -4,-0.4 5,-2.2 0.706 124.1 50.7-109.0 -51.7 1.2 -5.5 14.7 437 445 A E H 3<5S+ 0 0 57 -4,-2.5 7,-2.0 1,-0.3 6,-1.4 0.841 117.5 38.0 -58.3 -42.9 4.0 -3.4 13.0 438 446 A E T 3<5S+ 0 0 51 -4,-1.7 -1,-0.3 5,-0.3 -3,-0.1 0.456 121.8 47.1 -88.1 -3.3 3.1 -4.3 9.4 439 447 A I T <45S- 0 0 0 -3,-1.0 -2,-0.2 -5,-0.2 -128,-0.1 0.850 138.8 -12.8-103.6 -54.8 -0.6 -4.2 10.1 440 448 A S T <5S+ 0 0 0 -4,-2.8 -3,-0.2 -129,-0.1 -2,-0.1 0.535 117.7 77.9-123.0 -18.4 -1.4 -1.0 12.1 441 449 A G S > S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 -4,-0.1 0.691 127.9 55.9 -65.5 -23.8 5.1 2.0 11.7 443 451 A G H > S+ 0 0 15 -6,-1.4 4,-1.5 2,-0.2 -5,-0.3 0.908 113.4 40.8 -72.6 -44.0 5.7 -0.6 8.9 444 452 A A H > S+ 0 0 0 -7,-2.0 4,-2.5 -3,-0.4 -1,-0.1 0.874 117.3 49.2 -68.6 -41.7 2.2 -0.2 7.7 445 453 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 -8,-0.3 6,-0.3 0.909 107.0 54.7 -64.1 -43.0 2.3 3.6 8.2 446 454 A Y H <>S+ 0 0 27 -4,-2.3 5,-1.7 1,-0.2 4,-0.2 0.910 112.4 44.5 -58.5 -40.9 5.7 3.8 6.3 447 455 A N H ><5S+ 0 0 68 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.918 109.5 55.4 -67.4 -43.4 4.1 2.1 3.4 448 456 A A H 3<5S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 103.0 57.2 -59.1 -28.8 0.9 4.2 3.5 449 457 A L T 3<5S- 0 0 3 -4,-1.7 -339,-2.3 -5,-0.1 -338,-0.4 0.428 131.5 -88.6 -89.8 -0.6 3.1 7.4 3.3 450 458 A G T <>5S- 0 0 44 -3,-1.5 4,-0.7 1,-0.4 -3,-0.2 0.169 80.7-160.5 124.0 -4.4 4.6 6.4 0.0 451 459 A G T 4< - 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