==== 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 2WZG . COMPND 2 MOLECULE: GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR R.HURTADO-GUERRERO,T.ZUSMAN,S.PATHAK,A.F.M.IBRAHIM, . 502 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.4 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 . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 5 1 0 3 4 1 4 1 0 4 1 1 0 0 0 1 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 6 A S > 0 0 130 0, 0.0 4,-1.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -12.3 16.2 51.7 10.7 2 7 A N H > + 0 0 124 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.786 360.0 54.8 -69.5 -38.4 13.0 51.7 12.6 3 8 A E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.913 108.9 45.0 -60.3 -41.1 12.3 49.2 9.8 4 9 A L H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 112.3 51.7 -67.8 -42.2 15.4 47.3 11.0 5 10 A S H X S+ 0 0 42 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.858 109.6 49.8 -61.5 -36.9 14.4 47.6 14.7 6 11 A K H X S+ 0 0 87 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.941 110.9 48.6 -69.7 -48.0 10.9 46.3 14.0 7 12 A L H X S+ 0 0 17 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.933 111.7 50.5 -55.8 -48.6 12.2 43.3 12.1 8 13 A R H X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.916 109.2 51.1 -58.6 -42.8 14.6 42.6 14.9 9 14 A M H X S+ 0 0 102 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.923 110.4 48.5 -62.0 -44.2 11.8 42.8 17.5 10 15 A R H X S+ 0 0 62 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.899 110.4 52.0 -61.4 -41.0 9.6 40.3 15.6 11 16 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 109.4 48.5 -63.1 -46.5 12.6 37.9 15.2 12 17 A F H <>S+ 0 0 38 -4,-2.3 5,-2.9 2,-0.2 6,-0.2 0.905 116.0 44.0 -62.5 -43.7 13.3 38.0 18.9 13 18 A S H ><5S+ 0 0 59 -4,-2.3 3,-2.9 3,-0.2 -2,-0.2 0.974 110.9 54.4 -59.4 -57.6 9.5 37.4 19.7 14 19 A A H 3<5S+ 0 0 7 -4,-3.3 30,-0.5 1,-0.3 -2,-0.2 0.883 111.8 44.9 -43.3 -47.8 9.2 34.7 17.0 15 20 A L T ><5S- 0 0 3 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.3 0.137 117.0-111.7 -94.2 20.2 12.1 32.7 18.5 16 21 A N T < 5 - 0 0 88 -3,-2.9 -3,-0.2 1,-0.3 -2,-0.1 0.746 50.3 -83.9 69.2 24.8 10.9 33.1 22.1 17 22 A H T 3 - 0 0 74 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.804 31.1-174.7 -96.0 103.3 22.8 34.3 20.7 23 28 A L H > S+ 0 0 5 -2,-0.9 4,-2.8 -5,-0.4 5,-0.2 0.757 79.1 65.0 -73.0 -23.0 19.8 35.7 18.7 24 29 A H H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.965 107.9 37.0 -62.4 -52.8 21.7 38.9 18.1 25 30 A T H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.875 116.3 54.0 -70.7 -34.5 24.4 37.3 16.0 26 31 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 3,-0.2 0.976 111.4 45.9 -58.1 -51.1 21.8 34.9 14.4 27 32 A F H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 3,-0.9 0.906 112.0 50.4 -55.1 -51.4 19.6 37.9 13.4 28 33 A D H 3< S+ 0 0 72 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.824 110.0 51.5 -55.6 -37.9 22.6 39.9 12.0 29 34 A N H 3< S+ 0 0 66 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.608 119.0 35.6 -80.1 -12.4 23.7 36.8 10.0 30 35 A L H X< S+ 0 0 3 -4,-0.9 3,-2.3 -3,-0.9 -2,-0.2 0.600 91.0 91.6-107.4 -17.3 20.2 36.4 8.4 31 36 A K G >< S+ 0 0 82 -4,-2.0 3,-1.4 1,-0.3 -2,-0.1 0.716 73.3 67.3 -63.8 -25.7 19.1 40.0 8.1 32 37 A S G 3 S+ 0 0 116 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.809 118.6 27.3 -57.6 -26.3 20.4 40.5 4.5 33 38 A N G < S+ 0 0 78 -3,-2.3 2,-0.5 2,-0.0 -1,-0.3 -0.109 99.2 108.8-127.0 29.9 17.7 38.0 3.5 34 39 A L < + 0 0 10 -3,-1.4 2,-0.3 -7,-0.1 -27,-0.1 -0.957 37.9 177.0-120.1 122.7 15.1 38.5 6.2 35 40 A T > - 0 0 61 -2,-0.5 4,-1.3 1,-0.1 3,-0.3 -0.810 42.6-113.5-116.9 162.9 11.7 40.2 5.7 36 41 A L H > S+ 0 0 83 -2,-0.3 4,-0.9 1,-0.2 3,-0.4 0.913 116.3 60.2 -58.5 -38.7 8.8 40.7 8.1 37 42 A G H >4 S+ 0 0 32 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.871 103.3 50.2 -57.7 -38.6 6.7 38.3 5.9 38 43 A S H >4 S+ 0 0 0 -3,-0.3 3,-1.4 1,-0.2 -1,-0.3 0.836 96.9 67.9 -72.0 -33.1 9.2 35.5 6.5 39 44 A I H >< S+ 0 0 0 -4,-1.3 3,-2.2 -3,-0.4 4,-0.4 0.820 86.6 68.8 -61.9 -29.3 9.3 35.9 10.3 40 45 A E G X< S+ 0 0 93 -4,-0.9 3,-1.1 -3,-0.5 -1,-0.3 0.866 97.0 54.2 -54.6 -35.9 5.7 34.7 10.6 41 46 A H G < S+ 0 0 8 -3,-1.4 7,-0.5 -4,-0.4 8,-0.3 0.335 99.5 60.9 -88.0 7.3 6.8 31.2 9.6 42 47 A L G < S+ 0 0 0 -3,-2.2 -1,-0.2 6,-0.1 -2,-0.2 0.423 83.8 111.5-104.1 -5.8 9.5 31.0 12.3 43 48 A Q S X S- 0 0 66 -3,-1.1 3,-2.3 -4,-0.4 6,-0.4 -0.235 83.4 -79.0 -73.2 157.2 7.0 31.4 15.2 44 49 A E T 3 S+ 0 0 139 -30,-0.5 -1,-0.2 1,-0.3 3,-0.1 -0.242 121.4 42.0 -50.6 135.7 6.0 28.7 17.8 45 50 A G T 3 S+ 0 0 51 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.163 94.6 111.3 101.1 -17.2 3.5 26.4 16.1 46 51 A S S <> S- 0 0 9 -3,-2.3 4,-1.7 1,-0.1 -1,-0.4 -0.506 76.0-127.5 -88.7 158.1 5.6 26.3 12.9 47 52 A V H > S+ 0 0 0 2,-0.2 4,-1.8 -2,-0.2 5,-0.2 0.915 113.9 54.6 -64.2 -41.1 7.5 23.4 11.5 48 53 A T H > S+ 0 0 0 -7,-0.5 4,-2.2 1,-0.2 3,-0.2 0.940 107.9 49.2 -61.5 -46.0 10.6 25.8 11.3 49 54 A Y H > S+ 0 0 21 -6,-0.4 4,-2.2 -8,-0.3 -1,-0.2 0.889 107.4 54.9 -54.6 -43.8 10.2 26.6 15.0 50 55 A A H X S+ 0 0 31 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.873 107.9 48.4 -63.2 -37.7 9.9 22.9 15.9 51 56 A I H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 3,-0.3 0.921 107.9 55.1 -70.4 -43.6 13.2 22.1 14.2 52 57 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.933 105.0 53.9 -51.8 -46.9 15.0 25.0 15.9 53 58 A Q H X S+ 0 0 56 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.854 111.7 44.5 -61.1 -35.6 13.9 23.6 19.3 54 59 A E H >< S+ 0 0 123 -4,-1.3 3,-0.8 -3,-0.3 -1,-0.2 0.892 111.9 51.5 -74.7 -38.5 15.4 20.3 18.5 55 60 A L H >< S+ 0 0 20 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.867 101.3 64.3 -64.1 -36.4 18.6 21.8 17.1 56 61 A L H 3< S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 96.6 56.1 -52.6 -33.5 18.9 23.9 20.4 57 62 A K T << S+ 0 0 158 -3,-0.8 -1,-0.3 -4,-0.6 2,-0.2 0.492 103.0 74.5 -81.6 -2.5 19.4 20.7 22.4 58 63 A G S X S- 0 0 41 -3,-1.8 3,-0.7 -4,-0.2 2,-0.1 -0.532 89.0 -86.4-111.9 173.7 22.3 19.7 20.3 59 64 A A T 3 S+ 0 0 78 1,-0.2 -1,-0.1 -2,-0.2 5,-0.1 -0.363 106.8 19.8 -74.8 152.9 26.0 20.6 19.8 60 65 A D T 3> S+ 0 0 87 1,-0.1 4,-2.7 3,-0.1 5,-0.2 0.776 77.0 155.4 64.5 28.5 27.0 23.4 17.5 61 66 A A H <> + 0 0 12 -3,-0.7 4,-2.7 1,-0.2 5,-0.3 0.822 62.4 58.3 -62.2 -39.8 23.5 24.8 17.6 62 67 A Q H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.952 115.6 35.8 -53.1 -54.1 24.4 28.4 16.8 63 68 A K H > S+ 0 0 137 2,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.912 117.8 50.7 -68.7 -44.5 25.9 27.4 13.5 64 69 A K H X S+ 0 0 79 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.893 112.8 46.7 -61.3 -41.7 23.5 24.6 12.7 65 70 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.906 111.0 52.5 -71.5 -39.3 20.5 26.8 13.3 66 71 A E H X S+ 0 0 41 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.936 113.2 42.8 -59.1 -47.7 22.0 29.6 11.2 67 72 A S H X S+ 0 0 78 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.905 113.6 52.1 -72.3 -34.7 22.6 27.4 8.2 68 73 A F H X S+ 0 0 3 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.969 114.6 43.2 -54.9 -53.7 19.2 25.7 8.6 69 74 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.892 108.6 57.1 -67.0 -39.5 17.5 29.1 8.6 70 75 A K H X S+ 0 0 87 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.955 116.5 35.5 -54.8 -53.1 19.5 30.6 5.8 71 76 A G H X>S+ 0 0 15 -4,-1.9 4,-3.4 2,-0.2 5,-0.5 0.906 116.9 52.4 -64.8 -45.5 18.5 27.8 3.4 72 77 A A H X>S+ 0 0 0 -4,-3.0 5,-3.0 -5,-0.2 4,-1.7 0.933 115.2 42.8 -61.8 -43.8 14.9 27.4 4.8 73 78 A I H <>S+ 0 0 2 -4,-3.0 5,-2.7 -5,-0.2 -1,-0.2 0.954 121.2 38.6 -64.8 -49.1 14.3 31.1 4.3 74 79 A K H <5S+ 0 0 127 -4,-2.2 -2,-0.2 -5,-0.4 -3,-0.2 0.899 127.3 31.6 -72.0 -39.2 16.0 31.5 0.9 75 80 A N H <5S+ 0 0 99 -4,-3.4 -3,-0.2 -5,-0.2 -1,-0.2 0.761 135.7 8.4 -94.9 -25.2 14.8 28.2 -0.6 76 81 A V T X S+ 0 0 61 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.901 114.2 50.5 -60.2 -34.3 9.6 32.0 -2.2 80 85 A G H X>S+ 0 0 4 -4,-1.7 5,-2.8 2,-0.2 4,-0.9 0.879 108.5 49.6 -69.7 -41.8 6.4 30.7 -0.6 81 86 A V H ><5S+ 0 0 42 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.962 112.6 49.1 -58.0 -48.7 5.5 34.0 1.1 82 87 A I H 3<5S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.814 109.6 52.5 -57.7 -33.1 6.0 35.7 -2.3 83 88 A K H 3<5S- 0 0 80 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.608 120.6-105.8 -84.5 -15.1 3.8 33.1 -4.1 84 89 A G T <<5 + 0 0 16 -3,-1.1 174,-0.5 -4,-0.9 -3,-0.2 0.631 61.5 163.8 95.9 19.8 0.9 33.5 -1.7 85 90 A L < - 0 0 14 -5,-2.8 -1,-0.2 172,-0.2 171,-0.0 -0.371 33.2-124.1 -66.1 144.1 1.4 30.3 0.2 86 91 A T > - 0 0 28 387,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.433 25.9-105.1 -81.2 164.3 -0.3 29.8 3.6 87 92 A P H > S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.872 124.4 52.1 -51.6 -43.6 1.5 29.0 6.8 88 93 A N H > S+ 0 0 50 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.922 111.1 47.2 -56.2 -49.3 0.2 25.4 6.5 89 94 A E H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.835 112.8 47.2 -66.5 -38.5 1.6 25.2 3.0 90 95 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.879 109.0 56.6 -69.1 -38.7 5.0 26.6 3.9 91 96 A N H X S+ 0 0 11 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.932 109.4 44.9 -57.2 -47.3 5.1 24.2 6.9 92 97 A W H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.928 111.9 52.3 -63.2 -44.7 4.6 21.2 4.6 93 98 A N H X S+ 0 0 27 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.853 110.1 49.1 -61.0 -36.8 7.2 22.6 2.1 94 99 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.937 110.6 49.5 -66.2 -49.2 9.7 23.0 5.0 95 100 A A H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 7,-0.2 0.910 113.1 47.8 -51.7 -47.1 9.1 19.4 6.2 96 101 A K H < S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.0 49.4 -62.7 -40.7 9.5 18.1 2.7 97 102 A A H < S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.663 118.5 39.0 -74.5 -17.1 12.8 20.1 2.2 98 103 A Y >X + 0 0 30 -4,-1.3 3,-2.0 -3,-0.4 4,-1.4 -0.406 56.8 153.2-134.3 60.5 14.3 18.9 5.5 99 104 A P T 34 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.792 75.6 65.2 -59.4 -23.5 13.5 15.2 6.1 100 105 A E T 34 S+ 0 0 128 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.701 114.6 31.1 -69.0 -17.8 16.7 15.0 8.2 101 106 A Y T <4 S+ 0 0 77 -3,-2.0 2,-0.4 1,-0.2 -1,-0.2 0.497 122.8 44.4-116.3 -12.5 15.1 17.4 10.7 102 107 A Y < - 0 0 40 -4,-1.4 2,-0.4 -7,-0.2 -1,-0.2 -0.906 66.5-149.0-144.0 114.2 11.4 16.6 10.4 103 108 A E + 0 0 187 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.645 35.0 155.3 -81.3 126.8 9.8 13.1 10.3 104 109 A H - 0 0 58 -2,-0.4 -2,-0.1 -9,-0.1 2,-0.0 -0.999 37.9-112.7-154.5 151.7 6.7 13.1 8.2 105 110 A E - 0 0 147 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.282 43.7 -88.2 -78.2 166.7 4.4 10.8 6.1 106 111 A K - 0 0 172 1,-0.1 -1,-0.1 359,-0.1 0, 0.0 -0.169 50.3 -89.3 -61.2 161.3 3.9 10.9 2.4 107 112 A L - 0 0 23 1,-0.1 358,-0.1 363,-0.0 -1,-0.1 -0.689 52.8-126.4 -70.4 119.0 1.2 13.0 0.8 108 113 A P - 0 0 29 0, 0.0 2,-0.8 0, 0.0 358,-0.1 -0.314 21.3-102.4 -69.8 158.9 -1.8 10.7 0.7 109 114 A D + 0 0 113 7,-0.1 2,-0.4 2,-0.0 9,-0.1 -0.747 49.9 169.3 -84.1 111.7 -3.7 10.0 -2.4 110 115 A V - 0 0 10 -2,-0.8 7,-2.8 7,-0.3 2,-0.4 -0.993 20.3-153.4-126.4 126.5 -6.9 12.1 -2.4 111 116 A T E +A 116 0A 63 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.845 13.5 178.9-104.2 142.1 -9.2 12.6 -5.3 112 117 A F E > S-A 115 0A 0 3,-3.0 3,-1.4 -2,-0.4 334,-0.2 -0.954 73.3 -15.4-144.3 114.3 -11.4 15.7 -5.6 113 118 A G T 3 S- 0 0 1 332,-2.2 193,-0.1 -2,-0.4 333,-0.1 0.915 129.9 -51.8 51.9 46.2 -13.7 16.3 -8.6 114 119 A G T 3 S+ 0 0 68 331,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.581 119.9 109.3 68.0 11.1 -11.8 13.6 -10.5 115 120 A F E < S-A 112 0A 23 -3,-1.4 -3,-3.0 188,-0.0 2,-0.6 -0.926 71.5-123.8-118.0 144.1 -8.4 15.2 -9.8 116 121 A K E -A 111 0A 91 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.760 37.6-115.9 -85.7 122.0 -5.7 14.0 -7.5 117 122 A V - 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0 0 0 -33,-2.6 2,-2.0 -2,-0.5 -170,-0.2 -0.429 19.9-119.4 -73.2 142.1 -7.7 28.9 -11.0 296 301 A N S S+ 0 0 72 -172,-2.1 2,-0.3 -2,-0.1 -172,-0.1 -0.580 81.2 104.8 -72.5 75.8 -6.2 30.6 -14.1 297 302 A D S >> S- 0 0 40 -2,-2.0 3,-1.5 -62,-0.2 4,-0.6 -0.992 82.3-118.0-159.7 145.7 -5.6 27.2 -15.6 298 303 A R H >> S+ 0 0 188 -2,-0.3 4,-1.3 1,-0.3 3,-0.5 0.820 110.9 67.6 -56.0 -32.2 -6.9 24.8 -18.3 299 304 A E H 3> S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.763 87.6 69.1 -63.9 -22.9 -7.6 22.2 -15.6 300 305 A T H <> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.951 99.6 45.7 -59.8 -49.8 -10.4 24.6 -14.3 301 306 A Q H X + 0 0 77 -4,-1.9 3,-0.7 -5,-0.2 4,-0.6 -0.655 68.4 166.4-142.1 85.4 -33.7 12.9 -13.4 318 323 A P H 3> + 0 0 3 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.621 62.3 82.8 -77.5 -10.8 -34.0 14.6 -10.0 319 324 A Y H 34 S+ 0 0 8 1,-0.2 -5,-0.1 2,-0.2 18,-0.1 0.878 91.2 49.7 -66.6 -32.6 -35.8 11.6 -8.3 320 325 A T H X4 S+ 0 0 91 -3,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.951 110.5 48.9 -66.9 -47.5 -32.5 9.8 -7.6 321 326 A A H 3< S+ 0 0 34 -4,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.806 116.4 44.8 -57.4 -31.8 -30.8 12.9 -6.1 322 327 A L T >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 6,-0.4 0.200 79.6 110.9 -97.6 11.9 -33.9 13.4 -3.9 323 328 A K T < S+ 0 0 127 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.741 81.3 39.1 -71.8 -23.9 -34.4 9.8 -2.8 324 329 A D T 3 S+ 0 0 139 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.077 92.9 108.5-109.3 20.4 -33.5 10.3 0.9 325 330 A T S X S- 0 0 14 -3,-1.5 3,-1.0 1,-0.1 4,-0.5 -0.584 83.3-110.2 -92.0 159.0 -35.2 13.6 1.4 326 331 A P G > S+ 0 0 42 0, 0.0 3,-1.3 0, 0.0 101,-0.1 0.844 118.2 61.8 -56.0 -33.3 -38.4 14.0 3.5 327 332 A L G > S+ 0 0 0 99,-0.3 3,-1.9 1,-0.3 6,-0.4 0.826 90.4 67.6 -63.4 -30.8 -40.3 14.8 0.3 328 333 A A G < S+ 0 0 17 -3,-1.0 -1,-0.3 -6,-0.4 -5,-0.1 0.717 90.9 63.3 -61.0 -21.5 -39.4 11.3 -1.1 329 334 A Q G < S+ 0 0 106 -3,-1.3 41,-0.4 -4,-0.5 -1,-0.3 0.369 88.3 99.2 -83.4 4.1 -41.7 9.8 1.6 330 335 A T S <> S- 0 0 1 -3,-1.9 4,-1.6 1,-0.1 37,-0.2 -0.649 75.3-132.2 -99.1 151.1 -44.8 11.5 0.1 331 336 A A H > S+ 0 0 26 35,-2.1 4,-2.1 34,-0.3 5,-0.2 0.887 108.9 57.6 -58.7 -43.2 -47.6 10.2 -2.2 332 337 A F H > S+ 0 0 33 33,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.882 105.6 48.8 -54.7 -45.5 -47.1 13.3 -4.4 333 338 A F H > S+ 0 0 6 -6,-0.4 4,-2.3 32,-0.3 -1,-0.2 0.884 109.5 51.6 -64.0 -41.6 -43.4 12.6 -5.0 334 339 A N H X S+ 0 0 80 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.907 112.4 46.6 -66.7 -35.5 -44.1 8.9 -5.9 335 340 A R H X S+ 0 0 93 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.897 110.9 51.4 -67.2 -43.4 -46.7 10.1 -8.4 336 341 A C H X>S+ 0 0 3 -4,-2.3 5,-2.6 1,-0.2 4,-0.8 0.903 110.5 49.8 -62.7 -39.4 -44.5 12.7 -9.9 337 342 A E H <5S+ 0 0 90 -4,-2.3 3,-0.5 2,-0.2 -1,-0.2 0.899 111.1 47.7 -66.1 -44.3 -41.7 10.1 -10.3 338 343 A E H <5S+ 0 0 178 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.925 117.3 43.6 -60.4 -43.1 -44.0 7.7 -12.0 339 344 A E H <5S- 0 0 102 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.574 107.9-126.0 -76.7 -11.7 -45.3 10.5 -14.3 340 345 A G T <5 + 0 0 53 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.857 41.6 177.1 61.0 37.8 -41.8 11.9 -14.9 341 346 A K < - 0 0 70 -5,-2.6 -1,-0.1 -6,-0.2 2,-0.1 -0.374 27.2-119.2 -61.8 150.5 -42.8 15.4 -13.8 342 347 A N > - 0 0 72 -25,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.394 27.6 -90.5 -92.2 177.6 -39.8 17.7 -13.8 343 348 A I H > S+ 0 0 3 -28,-0.4 4,-2.7 1,-0.2 5,-0.2 0.824 124.6 51.7 -54.6 -40.0 -38.1 19.7 -11.0 344 349 A F H > S+ 0 0 24 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.927 110.9 46.3 -63.7 -47.0 -40.3 22.8 -11.5 345 350 A E H > S+ 0 0 86 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.858 111.9 53.7 -62.5 -37.6 -43.6 20.8 -11.4 346 351 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.958 113.6 40.8 -61.6 -52.4 -42.2 19.0 -8.3 347 352 A R H X S+ 0 0 0 -4,-2.7 4,-2.5 -130,-0.2 -2,-0.2 0.909 115.1 50.8 -62.7 -43.0 -41.5 22.3 -6.5 348 353 A K H X S+ 0 0 44 -4,-3.0 4,-3.0 -132,-0.3 -1,-0.2 0.902 109.2 52.1 -62.9 -39.8 -44.7 24.0 -7.7 349 354 A G H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.866 109.5 48.1 -66.0 -38.9 -46.8 21.1 -6.5 350 355 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.953 113.6 48.1 -63.4 -50.6 -45.3 21.1 -3.0 351 356 A Q H X S+ 0 0 13 -4,-2.5 4,-0.9 1,-0.2 3,-0.2 0.922 110.5 51.6 -52.6 -49.3 -45.9 24.9 -2.8 352 357 A D H >X S+ 0 0 74 -4,-3.0 4,-0.7 1,-0.2 3,-0.5 0.867 106.3 54.6 -55.9 -43.3 -49.5 24.4 -4.0 353 358 A A H 3< S+ 0 0 10 -4,-1.9 3,-0.4 1,-0.2 5,-0.3 0.854 110.9 44.3 -65.2 -36.3 -50.1 21.8 -1.4 354 359 A F H 3< S+ 0 0 13 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.550 112.3 52.3 -86.4 -6.8 -49.0 24.1 1.4 355 360 A R H << S+ 0 0 149 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.520 90.4 86.4 -92.0 -10.0 -50.9 27.1 -0.0 356 361 A S S < S- 0 0 30 -4,-0.7 -2,-0.1 -3,-0.4 -1,-0.1 0.695 72.8-152.7 -73.1 -25.8 -54.1 25.0 -0.2 357 362 A D + 0 0 94 -4,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.801 57.5 120.7 54.0 29.2 -55.6 25.5 3.3 358 363 A S > - 0 0 18 -5,-0.3 4,-2.0 1,-0.1 -1,-0.2 -0.981 53.8-161.0-127.8 120.8 -57.2 22.0 2.9 359 364 A L H > S+ 0 0 0 -2,-0.5 4,-1.8 2,-0.2 -1,-0.1 0.843 98.3 53.3 -59.8 -36.2 -56.6 19.1 5.2 360 365 A L H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 108.4 47.9 -69.9 -40.4 -58.0 16.8 2.5 361 366 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.907 111.3 51.8 -66.7 -35.9 -55.6 18.2 -0.1 362 367 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.860 107.5 52.3 -67.0 -35.0 -52.8 17.8 2.3 363 368 A Y H X S+ 0 0 8 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.932 110.8 46.9 -64.9 -45.2 -53.8 14.2 2.9 364 369 A V H < S+ 0 0 86 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.875 115.6 47.6 -64.1 -37.1 -53.7 13.5 -0.8 365 370 A F H < S+ 0 0 9 -4,-2.3 -33,-2.4 -5,-0.2 -34,-0.3 0.949 120.6 34.5 -68.7 -52.9 -50.3 15.2 -1.0 366 371 A L H < S- 0 0 2 -4,-3.2 -35,-2.1 -36,-0.2 4,-0.4 0.937 97.8-143.5 -69.5 -43.0 -48.7 13.5 1.9 367 372 A G X - 0 0 7 -4,-3.1 4,-2.5 -5,-0.3 5,-0.2 -0.072 38.8 -70.4 81.9 159.7 -50.3 10.1 1.6 368 373 A P H > S+ 0 0 51 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.863 128.2 55.1 -60.0 -38.7 -51.2 8.1 4.8 369 374 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.947 116.3 35.0 -62.3 -49.9 -47.6 7.2 5.9 370 375 A K H > S+ 0 0 7 -4,-0.4 4,-3.2 -41,-0.4 5,-0.2 0.878 115.7 55.5 -73.1 -37.0 -46.4 10.8 6.0 371 376 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.939 107.3 52.1 -59.5 -46.6 -49.8 12.1 7.2 372 377 A K H <>S+ 0 0 61 -4,-3.1 5,-2.3 -5,-0.2 4,-0.5 0.926 113.0 44.1 -52.2 -49.1 -49.5 9.7 10.1 373 378 A E H ><5S+ 0 0 98 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.922 113.2 49.4 -64.5 -45.7 -46.1 10.9 11.0 374 379 A V H 3<5S+ 0 0 7 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 120.1 37.2 -64.9 -36.1 -46.9 14.6 10.6 375 380 A F T 3<5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.333 106.1-125.1-100.2 10.3 -50.0 14.3 12.8 376 381 A K T < 5 + 0 0 190 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.891 49.4 169.4 48.3 52.0 -48.5 11.8 15.2 377 382 A L < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.628 36.2-114.0 -94.9 148.7 -51.3 9.3 14.7 378 383 A K > - 0 0 133 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.394 32.3-110.3 -69.8 157.5 -51.4 5.7 15.8 379 384 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 119.8 50.1 -55.1 -43.9 -51.3 3.0 13.1 380 385 A T H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 109.5 54.1 -67.4 -34.2 -54.9 2.0 13.8 381 386 A Q H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.917 110.5 42.8 -64.8 -47.7 -55.9 5.6 13.6 382 387 A I H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.859 111.3 57.8 -66.9 -32.6 -54.4 6.3 10.2 383 388 A K H X S+ 0 0 115 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.938 106.1 47.7 -63.1 -45.7 -55.8 2.9 9.0 384 389 A Y H X S+ 0 0 113 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.926 114.0 47.3 -60.7 -45.5 -59.3 3.9 9.8 385 390 A I H >X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 3,-0.7 0.946 112.4 48.6 -61.5 -47.9 -58.9 7.3 8.0 386 391 A D H 3< S+ 0 0 63 -4,-2.8 3,-0.4 1,-0.3 4,-0.3 0.858 107.9 54.4 -64.3 -34.6 -57.3 5.8 4.9 387 392 A D H 3< S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.786 121.7 30.8 -66.6 -26.8 -60.0 3.1 4.6 388 393 A H H XX S+ 0 0 48 -4,-1.1 3,-2.1 -3,-0.7 4,-0.5 0.325 83.5 110.5-115.1 4.3 -62.7 5.8 4.6 389 394 A I G >< S+ 0 0 38 -4,-0.9 3,-1.6 -3,-0.4 -1,-0.1 0.837 72.5 61.4 -55.2 -37.9 -60.9 8.8 3.1 390 395 A S G 34 S+ 0 0 115 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.615 106.4 49.1 -65.5 -12.7 -63.0 8.7 -0.2 391 396 A E G <4 S+ 0 0 128 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.510 94.4 100.7 -98.1 -10.8 -66.1 9.3 2.0 392 397 A F << - 0 0 27 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.0 -0.550 48.4-166.8 -86.8 140.9 -64.7 12.3 4.0 393 398 A N > - 0 0 88 -2,-0.2 4,-1.9 -33,-0.0 5,-0.2 -0.507 50.8 -85.9 -95.8-177.0 -65.2 16.0 3.6 394 399 A E H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 129.3 48.6 -60.4 -41.6 -62.9 18.4 5.4 395 400 A H H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 107.5 56.4 -67.0 -43.7 -64.9 18.4 8.6 396 401 A D H > S+ 0 0 55 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.934 109.4 45.5 -47.5 -52.4 -65.0 14.6 8.6 397 402 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.923 112.8 50.6 -63.0 -42.9 -61.2 14.5 8.5 398 403 A L H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.898 105.0 56.7 -62.2 -38.6 -60.9 17.2 11.2 399 404 A L H X S+ 0 0 72 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.891 108.3 48.5 -64.5 -36.0 -63.3 15.3 13.5 400 405 A H H X S+ 0 0 47 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.895 109.3 50.7 -70.9 -37.8 -61.0 12.3 13.3 401 406 A L H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.897 110.4 52.0 -62.8 -42.5 -57.9 14.2 14.0 402 407 A I H < S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.940 110.3 45.1 -60.9 -48.1 -59.5 15.8 17.0 403 408 A S H < S+ 0 0 83 -4,-2.1 2,-1.2 -5,-0.2 -1,-0.2 0.880 104.8 68.4 -65.4 -34.2 -60.6 12.4 18.6 404 409 A D < 0 0 29 -4,-2.1 -1,-0.2 -5,-0.2 -4,-0.0 -0.709 360.0 360.0 -82.6 96.3 -57.1 11.1 17.8 405 410 A N 0 0 169 -2,-1.2 -1,-0.2 -28,-0.0 -2,-0.1 0.074 360.0 360.0-171.5 360.0 -55.2 13.3 20.4 406 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 407 419 A L 0 0 211 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 39.7 -64.4 23.3 20.8 408 420 A D > - 0 0 72 1,-0.1 4,-2.7 2,-0.0 3,-0.4 -0.809 360.0-175.5-119.2 90.4 -63.4 25.7 18.0 409 421 A F H > S+ 0 0 101 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.792 86.1 54.5 -55.7 -30.0 -63.4 23.8 14.7 410 422 A G H > S+ 0 0 47 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.903 112.8 41.2 -68.4 -43.8 -62.0 26.9 12.9 411 423 A R H > S+ 0 0 186 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.811 111.6 56.3 -72.9 -32.2 -59.1 27.2 15.4 412 424 A A H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.926 105.6 52.1 -65.0 -44.1 -58.5 23.5 15.4 413 425 A K H X S+ 0 0 46 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.914 110.0 48.4 -55.4 -47.2 -58.1 23.5 11.6 414 426 A V H X S+ 0 0 79 -4,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.925 109.8 52.4 -60.3 -47.2 -55.6 26.3 11.9 415 427 A M H X S+ 0 0 88 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.924 113.9 42.7 -54.0 -47.8 -53.7 24.4 14.6 416 428 A Y H X S+ 0 0 15 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.946 113.3 51.5 -70.1 -45.0 -53.5 21.3 12.4 417 429 A M H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.908 109.7 51.3 -51.4 -46.6 -52.6 23.3 9.3 418 430 A D H X S+ 0 0 83 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.834 104.8 56.5 -64.8 -34.2 -49.8 25.0 11.2 419 431 A I H < S+ 0 0 50 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.932 111.9 42.4 -59.0 -46.8 -48.4 21.7 12.4 420 432 A A H >< S+ 0 0 0 -4,-1.9 3,-2.4 1,-0.2 4,-0.2 0.933 108.2 60.8 -65.9 -45.3 -48.1 20.6 8.7 421 433 A K H >< S+ 0 0 76 -4,-2.6 3,-1.7 1,-0.3 4,-0.5 0.733 90.5 66.9 -55.6 -28.0 -46.7 23.9 7.5 422 434 A E T 3< S+ 0 0 149 -4,-1.1 -1,-0.3 -3,-0.4 4,-0.3 0.555 96.7 56.8 -79.8 -1.4 -43.7 23.7 9.8 423 435 A H T <> S+ 0 0 46 -3,-2.4 4,-1.9 -4,-0.1 -1,-0.3 0.459 82.5 89.8 -92.2 -7.3 -42.5 20.8 7.7 424 436 A Y H <> S+ 0 0 23 -3,-1.7 4,-2.5 -4,-0.2 3,-0.4 0.948 83.9 51.4 -58.7 -50.7 -42.6 22.9 4.5 425 437 A S H > S+ 0 0 39 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.907 109.8 49.9 -50.5 -47.3 -39.0 24.1 4.7 426 438 A A H 4 S+ 0 0 41 -4,-0.3 -99,-0.3 1,-0.2 -1,-0.2 0.835 113.6 46.1 -64.9 -34.3 -37.7 20.6 5.2 427 439 A F H < S+ 0 0 2 -4,-1.9 4,-0.3 -3,-0.4 -1,-0.2 0.855 119.5 40.3 -70.2 -37.6 -39.7 19.4 2.1 428 440 A Y H >< S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.2 4,-0.2 0.924 99.0 65.3 -86.1 -47.3 -38.6 22.3 -0.0 429 441 A K T >X S+ 0 0 59 -4,-2.4 4,-2.9 1,-0.3 3,-1.8 0.787 96.5 57.5 -52.5 -38.8 -34.9 23.1 0.6 430 442 A P H 3> S+ 0 0 17 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.794 90.9 73.9 -66.2 -22.8 -33.5 19.9 -0.8 431 443 A L H <4 S+ 0 0 0 -3,-2.0 -2,-0.2 -4,-0.3 -84,-0.1 0.544 115.8 21.0 -66.8 -5.6 -35.3 20.7 -4.0 432 444 A V H X>>S+ 0 0 2 -3,-1.8 5,-2.7 -4,-0.2 4,-2.5 0.578 123.4 53.2-118.0 -50.8 -32.5 23.3 -4.5 433 445 A E H 3<5S+ 0 0 64 -4,-2.9 7,-1.6 1,-0.3 6,-1.3 0.801 118.3 35.9 -60.9 -32.5 -29.7 22.1 -2.2 434 446 A E T 3<5S+ 0 0 54 -4,-2.1 -1,-0.3 5,-0.3 -3,-0.1 0.462 123.1 45.6 -98.6 -3.4 -29.5 18.5 -3.7 435 447 A I T <45S- 0 0 0 -3,-1.1 -2,-0.2 -5,-0.3 -120,-0.1 0.849 139.3 -10.3-105.2 -57.0 -30.3 19.7 -7.2 436 448 A S T <5S+ 0 0 1 -4,-2.5 -3,-0.2 -122,-0.1 -2,-0.1 0.515 117.9 81.0-117.2 -18.4 -28.1 22.7 -8.0 437 449 A G S > S+ 0 0 29 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.801 127.7 56.2 -62.8 -31.0 -24.0 22.4 -2.1 439 451 A G H > S+ 0 0 14 -6,-1.3 4,-1.9 2,-0.2 -5,-0.3 0.949 111.1 42.8 -60.9 -50.8 -25.5 18.9 -1.8 440 452 A A H > S+ 0 0 0 -7,-1.6 4,-2.2 -8,-0.2 -1,-0.2 0.877 116.5 49.3 -59.7 -38.2 -25.4 18.3 -5.6 441 453 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 -8,-0.3 -2,-0.2 0.931 107.8 52.5 -73.6 -41.6 -21.9 19.8 -5.8 442 454 A Y H <>S+ 0 0 38 -4,-2.7 5,-2.8 1,-0.2 4,-0.5 0.908 113.4 45.8 -55.0 -43.7 -20.6 17.7 -2.9 443 455 A N H ><5S+ 0 0 73 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.862 109.5 53.7 -69.1 -36.4 -21.8 14.6 -4.7 444 456 A A H 3<5S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.846 109.2 49.8 -67.9 -30.5 -20.4 15.8 -8.0 445 457 A L T 3<5S- 0 0 3 -4,-2.1 -332,-2.2 -5,-0.1 -331,-0.3 0.516 141.4 -64.6 -87.3 -7.2 -17.0 16.2 -6.4 446 458 A G T <>5S- 0 0 31 -3,-0.7 4,-0.8 -4,-0.5 -3,-0.2 0.269 70.2-119.7 146.9 -16.5 -17.0 12.7 -4.8 447 459 A G H >< - 0 0 8 -5,-2.8 4,-0.9 -6,-0.2 5,-0.1 0.101 44.0 -53.1 82.5 167.8 -19.7 12.4 -2.2 448 460 A A H >4 S+ 0 0 53 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.940 130.1 52.1 -45.2 -62.4 -20.0 11.6 1.5 449 461 A S H >4 S+ 0 0 96 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.906 106.7 53.4 -38.9 -57.8 -18.0 8.5 1.5 450 462 A N H 3< S+ 0 0 61 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.631 113.4 42.6 -61.2 -18.9 -15.1 10.1 -0.3 451 463 A F T << S+ 0 0 6 -3,-1.6 -166,-2.7 -4,-0.9 2,-0.4 0.094 98.1 85.4-119.6 20.2 -14.8 12.9 2.2 452 464 A T E < +J 284 0C 47 -3,-1.8 2,-0.3 -168,-0.2 -168,-0.2 -0.976 46.3 157.3-125.4 138.4 -15.2 11.0 5.4 453 465 A T E -J 283 0C 37 -170,-2.3 -170,-3.3 -2,-0.4 2,-0.3 -0.975 50.5 -76.8-153.2 162.7 -12.6 9.2 7.4 454 466 A T E -J 282 0C 55 -2,-0.3 -172,-0.3 -172,-0.2 2,-0.2 -0.464 60.5-104.1 -69.4 126.8 -11.9 8.0 10.9 455 467 A H + 0 0 35 -174,-2.0 2,-0.4 -2,-0.3 -174,-0.1 -0.337 42.6 178.8 -60.1 119.0 -10.9 11.0 13.0 456 468 A R - 0 0 166 -2,-0.2 2,-0.4 -3,-0.0 10,-0.0 -0.989 10.8-161.4-118.7 124.0 -7.1 11.2 13.8 457 469 A R - 0 0 192 -2,-0.4 2,-0.1 1,-0.0 -2,-0.0 -0.928 17.1-155.6-107.2 138.2 -5.7 14.1 15.8 458 470 A S - 0 0 87 -2,-0.4 2,-0.4 2,-0.1 4,-0.1 -0.403 15.9 -98.1-111.2 173.8 -2.0 14.7 15.6 459 471 A T S S- 0 0 134 -2,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.766 75.9 -26.5 -93.9 138.8 1.0 16.2 17.4 460 472 A G S S+ 0 0 63 -2,-0.4 -2,-0.1 2,-0.1 -413,-0.1 -0.104 111.7 22.6 62.4-159.4 2.3 19.7 16.8 461 473 A P S S- 0 0 22 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.039 84.1-109.2 -50.7 130.2 2.0 21.6 13.4 462 474 A M - 0 0 36 -417,-0.2 -370,-0.1 -4,-0.1 -415,-0.1 -0.414 40.4-176.6 -63.1 128.3 -0.8 20.5 11.1 463 475 A L - 0 0 13 -2,-0.2 2,-2.1 -372,-0.1 3,-0.3 -0.870 38.1-107.8-124.1 155.0 0.4 18.7 8.0 464 476 A P S S+ 0 0 0 0, 0.0 6,-0.1 0, 0.0 -2,-0.0 -0.412 74.7 123.9 -79.7 68.4 -1.5 17.4 4.9 465 477 A T + 0 0 40 -2,-2.1 -359,-0.1 -358,-0.1 -3,-0.0 0.438 63.7 45.3-115.0 -1.6 -1.0 13.7 5.9 466 478 A T S > S- 0 0 32 -3,-0.3 4,-2.5 -358,-0.1 5,-0.2 -0.919 93.4-102.7-129.2 161.9 -4.7 12.5 6.0 467 479 A P H > S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.879 120.0 45.7 -52.9 -47.8 -7.5 13.1 3.5 468 480 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.898 113.5 51.5 -67.1 -31.0 -9.3 15.8 5.4 469 481 A R H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 107.2 53.4 -68.4 -38.6 -6.0 17.6 6.2 470 482 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.899 112.3 44.3 -59.6 -41.9 -5.1 17.5 2.5 471 483 A L H X>S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.2 5,-0.5 0.923 113.5 50.4 -68.6 -43.8 -8.4 19.2 1.7 472 484 A Q H <5S+ 0 0 32 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.870 118.2 39.1 -60.6 -38.7 -8.0 21.7 4.6 473 485 A V H <5S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.906 131.8 19.2 -81.5 -38.8 -4.5 22.6 3.4 474 486 A F H <5S+ 0 0 0 -4,-2.5 -214,-2.5 -5,-0.2 -213,-0.6 0.517 124.8 38.2-114.5 -10.0 -4.9 22.6 -0.3 475 487 A C T <5S+ 0 0 0 -4,-2.3 -210,-1.6 -5,-0.2 2,-0.8 0.412 77.8 106.5-128.5 -0.5 -8.6 22.9 -1.4 476 488 A D B >< -h 265 0C 3 -5,-0.5 4,-0.9 -4,-0.3 -210,-0.2 -0.773 36.1-179.5 -98.8 108.0 -10.3 25.3 1.0 477 489 A A H > S+ 0 0 0 -212,-1.8 4,-2.1 -2,-0.8 -211,-0.2 0.741 75.3 65.3 -74.8 -26.2 -11.1 28.7 -0.6 478 490 A H H 4 S+ 0 0 33 -213,-0.6 5,-0.2 1,-0.2 -1,-0.2 0.975 103.8 40.7 -63.9 -54.4 -12.7 30.2 2.5 479 491 A D H 4 S+ 0 0 94 1,-0.2 -1,-0.2 -212,-0.1 -2,-0.2 0.829 120.7 45.4 -70.7 -25.3 -9.7 30.2 4.8 480 492 A K H < S+ 0 0 17 -4,-0.9 -1,-0.2 -394,-0.0 -2,-0.2 0.766 105.3 70.7 -83.7 -29.8 -7.4 31.4 2.0 481 493 A G S < S- 0 0 0 -4,-2.1 -354,-0.0 2,-0.1 -188,-0.0 -0.267 85.6-117.5 -87.5 174.2 -9.7 34.1 0.7 482 494 A P S S+ 0 0 2 0, 0.0 -235,-3.4 0, 0.0 2,-0.3 0.316 77.8 105.0 -94.2 8.7 -10.7 37.5 2.2 483 495 A F B -K 246 0D 1 -237,-0.3 2,-0.4 -5,-0.2 -237,-0.3 -0.660 61.2-135.9 -98.8 146.1 -14.4 36.7 2.4 484 496 A V + 0 0 51 -239,-3.7 2,-0.3 -2,-0.3 -5,-0.0 -0.799 30.0 157.3-106.6 141.6 -16.3 35.9 5.6 485 497 A S - 0 0 9 -2,-0.4 3,-0.1 -241,-0.1 -241,-0.0 -0.946 27.3-179.6-157.1 132.3 -18.9 33.2 6.0 486 498 A D + 0 0 124 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.144 53.1 118.0-120.6 38.9 -20.4 31.2 8.8 487 499 A N S S+ 0 0 91 2,-0.1 2,-0.3 -199,-0.0 -1,-0.1 0.744 78.9 25.5 -76.7 -23.7 -22.7 29.2 6.5 488 500 A I S S- 0 0 42 -3,-0.1 -221,-0.1 -221,-0.1 -3,-0.1 -0.889 99.1 -76.6-133.8 165.5 -21.1 25.9 7.4 489 501 A A - 0 0 30 -2,-0.3 -203,-0.1 1,-0.1 3,-0.1 -0.185 47.9-113.5 -55.6 149.2 -19.2 24.4 10.3 490 502 A R > - 0 0 196 -222,-0.2 -221,-1.4 1,-0.2 3,-0.7 -0.307 55.3 -66.0 -70.6 168.7 -15.5 25.4 10.8 491 503 A W T 3 S+ 0 0 26 -223,-0.3 -1,-0.2 -224,-0.2 -221,-0.1 -0.355 119.0 8.5 -62.4 136.5 -12.9 22.7 10.4 492 504 A Q T 3 S+ 0 0 71 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.888 82.9 167.4 61.1 47.7 -13.0 19.9 13.0 493 505 A T E < -i 270 0C 26 -224,-2.6 -222,-2.6 -3,-0.7 -1,-0.2 -0.816 38.2-121.3 -94.7 124.5 -16.3 20.9 14.7 494 506 A N E > -i 271 0C 46 -2,-0.5 3,-2.9 -224,-0.2 -222,-0.2 -0.463 20.1-126.8 -61.8 129.4 -17.8 18.4 17.0 495 507 A V T 3 S+ 0 0 76 -224,-2.9 -1,-0.2 1,-0.3 -223,-0.1 0.778 109.1 59.5 -50.7 -25.2 -21.3 17.6 15.8 496 508 A R T 3 0 0 160 -225,-0.3 -1,-0.3 -224,-0.1 -2,-0.1 0.496 360.0 360.0 -85.7 -0.4 -22.6 18.4 19.3 497 509 A E < 0 0 133 -3,-2.9 -4,-0.1 0, 0.0 0, 0.0 -0.118 360.0 360.0-127.0 360.0 -21.3 22.1 19.2 498 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 499 518 A L > 0 0 129 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.4 -34.8 32.4 3.6 500 519 A S T 3 + 0 0 98 1,-0.3 -279,-0.0 3,-0.0 0, 0.0 0.743 360.0 44.9 -54.7 -26.7 -34.7 34.7 0.6 501 520 A W T 3 S+ 0 0 40 2,-0.1 -1,-0.3 -282,-0.1 -280,-0.1 0.289 82.2 103.1-112.4 11.0 -35.3 31.7 -1.7 502 521 A L S < S- 0 0 45 -3,-1.6 2,-0.2 -283,-0.0 -77,-0.1 -0.850 74.3-127.9 -88.1 113.2 -38.2 29.8 0.1 503 522 A P 0 0 29 0, 0.0 -2,-0.1 0, 0.0 -75,-0.0 -0.426 360.0 360.0 -62.2 127.2 -41.4 30.6 -1.8 504 523 A S 0 0 130 -2,-0.2 0, 0.0 -149,-0.0 0, 0.0 0.967 360.0 360.0 -75.1 360.0 -44.0 31.9 0.6