==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-MAY-10 3MUX . COMPND 2 MOLECULE: PUTATIVE 4-HYDROXY-2-OXOGLUTARATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR A.J.STEIN,C.HATZOS-SKINTGES,S.CLANCY,A.JOACHIMIAK,MIDWEST CE . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 4 0 0 4 2 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 6 0 8 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 . 6 0 2 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 . 0 2 0 0 1 3 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 2 A T >> 0 0 120 0, 0.0 4,-0.9 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -41.1 55.6 43.7 28.1 2 3 A N G >4 + 0 0 58 1,-0.3 3,-0.8 2,-0.2 4,-0.2 0.927 360.0 35.6 -58.7 -48.7 57.6 45.7 30.3 3 4 A I G >4 S+ 0 0 6 1,-0.2 3,-1.9 87,-0.2 -1,-0.3 0.691 100.9 82.2 -69.8 -17.2 55.2 48.4 31.7 4 5 A Q G X4 S+ 0 0 77 -3,-0.8 3,-1.6 1,-0.3 -1,-0.2 0.866 80.5 63.2 -60.2 -30.5 52.5 45.7 31.7 5 6 A K G << S+ 0 0 104 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.668 95.1 63.4 -60.3 -22.6 53.7 44.4 35.0 6 7 A R G < S+ 0 0 20 -3,-1.9 2,-0.6 -4,-0.2 8,-0.3 0.518 80.5 95.2 -87.2 -6.6 52.8 47.7 36.5 7 8 A F S X S- 0 0 7 -3,-1.6 3,-1.9 -4,-0.3 2,-0.4 -0.776 76.5-127.2 -92.9 120.9 49.0 47.5 35.9 8 9 A Y B >> S-A 12 0A 14 4,-3.1 3,-2.5 -2,-0.6 4,-1.1 -0.521 95.7 -14.0 -63.4 122.0 46.8 46.2 38.8 9 10 A K T 34 S- 0 0 130 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.0 0.783 123.6 -68.2 47.3 33.3 44.8 43.3 37.1 10 11 A G T <4 S+ 0 0 28 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.497 127.6 84.3 72.8 4.7 45.9 44.7 33.8 11 12 A R T <4 S+ 0 0 20 -3,-2.5 203,-2.5 1,-0.3 2,-0.4 0.845 83.3 25.0-110.2 -43.5 43.8 47.9 34.3 12 13 A V B < +Ab 8 214A 1 -4,-1.1 -4,-3.1 201,-0.2 2,-0.4 -0.991 46.4 178.4-140.0 129.2 45.5 50.7 36.3 13 14 A A - 0 0 1 201,-1.8 22,-0.2 -2,-0.4 2,-0.2 -0.979 27.4-128.4-120.6 141.7 49.0 51.8 37.1 14 15 A L E -g 35 0B 1 20,-2.4 22,-2.3 -2,-0.4 2,-0.4 -0.570 12.1-157.4 -82.8 151.3 49.8 54.8 39.2 15 16 A N E +gh 36 217B 0 201,-1.9 203,-2.5 20,-0.2 2,-0.3 -0.971 27.2 154.7-126.8 115.5 52.3 57.5 38.1 16 17 A V E -gh 37 218B 0 20,-1.5 22,-3.2 -2,-0.4 2,-0.2 -0.907 38.5-109.4-133.1 160.7 53.8 59.6 40.9 17 18 A L E -g 38 0B 36 201,-0.5 2,-0.4 -2,-0.3 213,-0.2 -0.556 22.4-144.8 -88.6 155.3 57.0 61.6 41.4 18 19 A A - 0 0 17 20,-1.8 3,-0.1 -2,-0.2 211,-0.1 -0.960 9.5-152.8-117.7 145.4 60.0 60.7 43.5 19 20 A N S S- 0 0 77 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.754 79.4 -26.8 -76.4 -30.6 62.3 63.1 45.5 20 21 A N S > S- 0 0 41 1,-0.0 4,-2.5 37,-0.0 -1,-0.2 -0.922 80.7 -75.7-172.7 178.2 65.3 60.8 45.3 21 22 A I H > S+ 0 0 50 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.874 126.0 54.2 -66.0 -38.7 66.1 57.1 45.1 22 23 A E H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 111.0 46.3 -63.9 -39.1 65.2 56.3 48.7 23 24 A N H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 110.4 54.9 -66.3 -40.9 61.7 57.9 48.2 24 25 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.902 108.8 46.9 -57.4 -44.1 61.3 56.0 44.9 25 26 A K H X S+ 0 0 88 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.906 112.3 50.1 -65.6 -38.5 62.0 52.7 46.6 26 27 A D H X S+ 0 0 78 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.893 112.3 47.9 -67.8 -41.7 59.5 53.6 49.4 27 28 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-0.2 0.911 109.2 52.5 -61.4 -47.8 56.9 54.5 46.8 28 29 A F H <>S+ 0 0 39 -4,-2.4 5,-2.5 -5,-0.2 6,-0.2 0.916 112.3 45.8 -59.6 -40.8 57.4 51.3 44.8 29 30 A E H ><5S+ 0 0 128 -4,-2.1 3,-1.6 3,-0.2 -1,-0.2 0.932 111.4 51.9 -64.9 -46.7 56.9 49.2 48.0 30 31 A A H 3<5S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.860 112.4 45.5 -62.2 -35.0 53.8 51.2 49.0 31 32 A A T ><5S- 0 0 0 -4,-2.4 3,-2.2 -5,-0.1 -1,-0.3 0.347 109.2-123.5 -86.2 2.3 52.2 50.7 45.6 32 33 A E T < 5S- 0 0 114 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.833 72.0 -58.0 54.1 35.6 53.1 47.0 45.6 33 34 A G T 3 - i 0 68B 31 -2,-0.4 3,-1.7 27,-0.2 29,-0.2 -0.697 9.0-149.7 -97.6 129.5 62.5 64.6 35.6 41 42 A S G > S+ 0 0 3 27,-2.5 3,-1.4 -2,-0.4 -1,-0.1 0.854 98.9 62.5 -55.5 -35.8 64.9 65.4 32.8 42 43 A K G 3 S+ 0 0 80 26,-0.3 -1,-0.3 27,-0.3 27,-0.1 0.583 86.9 73.1 -71.5 -10.8 65.0 69.0 33.9 43 44 A D G < S+ 0 0 107 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.1 0.430 94.6 60.4 -82.8 2.2 66.5 68.0 37.3 44 45 A Y S < S- 0 0 57 -3,-1.4 6,-0.1 -4,-0.1 4,-0.0 -0.968 77.2-137.9-131.1 143.5 69.9 67.3 35.7 45 46 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.712 85.6 28.1 -78.1 -18.8 72.1 69.7 33.8 46 47 A T S > S- 0 0 68 1,-0.1 4,-1.8 -5,-0.1 5,-0.1 -0.922 77.1-117.2-136.2 160.6 73.0 67.3 31.0 47 48 A V H > S+ 0 0 38 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.912 115.7 57.0 -59.8 -43.9 71.4 64.3 29.2 48 49 A E H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 107.2 46.4 -56.9 -45.0 74.4 62.2 30.4 49 50 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 112.1 51.0 -67.8 -38.3 73.6 63.0 34.1 50 51 A A H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.939 110.8 49.1 -61.8 -46.1 69.9 62.3 33.6 51 52 A V H X S+ 0 0 11 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.932 110.6 50.2 -59.2 -46.5 70.6 58.9 32.0 52 53 A T H X S+ 0 0 100 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.940 114.5 44.0 -57.8 -46.3 73.0 58.0 34.9 53 54 A A H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.926 113.0 50.5 -65.8 -44.9 70.5 58.9 37.5 54 55 A X H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.897 109.2 51.3 -63.5 -38.9 67.6 57.2 35.7 55 56 A K H X S+ 0 0 113 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.899 109.6 51.8 -61.5 -39.6 69.5 54.0 35.3 56 57 A A H X S+ 0 0 43 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.910 110.5 46.4 -67.4 -42.1 70.3 54.1 39.0 57 58 A Y H >X S+ 0 0 16 -4,-2.5 4,-1.5 1,-0.2 3,-1.2 0.941 111.7 53.4 -60.0 -46.0 66.7 54.5 40.0 58 59 A G H 3<>S+ 0 0 1 -4,-2.6 5,-2.6 1,-0.3 6,-0.2 0.830 99.5 61.3 -61.4 -33.5 65.8 51.7 37.5 59 60 A K H 3<5S+ 0 0 79 -4,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.816 111.0 41.2 -60.3 -30.1 68.3 49.3 39.1 60 61 A E H <<5S+ 0 0 100 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.787 120.8 37.0 -90.5 -29.7 66.3 49.6 42.4 61 62 A I T ><5S- 0 0 3 -4,-1.5 3,-2.3 -24,-0.0 -1,-0.2 -0.204 114.3 -95.0-124.7 41.0 62.7 49.5 41.2 62 63 A D T 3 5S- 0 0 78 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.830 78.4 -64.7 56.4 35.5 62.7 47.0 38.3 63 64 A D T 3 S- 0 0 7 -29,-0.1 3,-2.0 -28,-0.1 6,-0.1 0.642 86.0 -9.8 99.0 97.4 58.2 68.2 34.2 71 72 A A T 3 S- 0 0 75 1,-0.3 3,-0.2 2,-0.1 -3,-0.0 0.838 126.3 -63.3 53.1 36.9 54.7 69.5 34.3 72 73 A G T 3 S- 0 0 12 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.657 79.4-180.0 67.7 17.1 54.4 68.9 30.5 73 74 A D X - 0 0 24 -3,-2.0 3,-1.9 1,-0.2 -1,-0.2 -0.308 20.0-159.1 -59.9 111.7 57.2 71.4 29.8 74 75 A N G > S+ 0 0 41 -2,-0.3 3,-1.4 1,-0.3 4,-0.4 0.686 84.8 75.2 -71.1 -12.3 57.7 71.4 26.0 75 76 A R G 3 S+ 0 0 185 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.683 97.1 49.9 -67.9 -17.2 61.2 72.9 26.5 76 77 A Q G <> S+ 0 0 36 -3,-1.9 4,-2.6 1,-0.1 -1,-0.3 0.392 81.1 98.4 -99.2 0.0 62.3 69.5 27.6 77 78 A A H <> S+ 0 0 1 -3,-1.4 4,-2.3 1,-0.2 5,-0.2 0.915 86.0 44.4 -58.1 -47.5 60.8 67.6 24.6 78 79 A A H > S+ 0 0 77 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.871 112.6 53.2 -66.5 -33.1 64.0 67.3 22.7 79 80 A V H > S+ 0 0 44 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.934 109.5 47.9 -65.2 -45.5 65.9 66.3 25.9 80 81 A V H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.917 110.1 52.7 -62.1 -42.8 63.5 63.5 26.6 81 82 A A H < S+ 0 0 10 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.900 111.8 46.7 -59.9 -39.3 63.7 62.3 23.0 82 83 A E H >< S+ 0 0 64 -4,-2.1 3,-1.5 1,-0.2 4,-0.5 0.898 106.4 56.3 -68.1 -41.8 67.5 62.2 23.3 83 84 A I H >X S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 4,-2.0 0.880 96.8 66.6 -57.0 -38.8 67.4 60.4 26.7 84 85 A A T 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 89.7 64.1 -58.3 -23.9 65.4 57.6 24.9 85 86 A K T <4 S+ 0 0 95 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.782 117.6 26.9 -62.6 -28.0 68.5 56.8 22.8 86 87 A H T <4 S+ 0 0 93 -3,-2.2 2,-0.3 -4,-0.5 -2,-0.2 0.639 129.8 22.5-114.1 -24.6 70.2 55.8 26.1 87 88 A Y < - 0 0 19 -4,-2.0 -1,-0.3 1,-0.1 -35,-0.0 -0.960 48.7-172.8-152.3 130.6 67.6 54.7 28.6 88 89 A S - 0 0 36 -2,-0.3 24,-0.2 1,-0.2 -21,-0.2 0.707 18.1-175.9 -95.4 -24.8 64.1 53.4 28.0 89 90 A G - 0 0 5 1,-0.2 -23,-0.2 -23,-0.1 -1,-0.2 -0.267 50.0 -82.7 51.7-148.6 62.7 53.2 31.5 90 91 A S S S+ 0 0 4 -25,-2.6 22,-0.9 1,-0.4 2,-0.3 0.541 108.7 25.3-112.7 -20.0 59.2 51.8 31.5 91 92 A H E -jk 66 112B 0 -26,-1.8 -24,-2.7 20,-0.2 2,-0.4 -0.997 62.0-161.9-152.6 138.2 57.2 54.9 30.6 92 93 A I E -jk 67 113B 0 20,-2.4 22,-2.6 -2,-0.3 2,-0.5 -0.994 11.2-146.4-131.6 128.0 58.0 58.2 28.9 93 94 A N + 0 0 5 -26,-2.9 2,-0.3 -2,-0.4 22,-0.1 -0.814 33.1 163.6 -85.8 130.6 56.1 61.5 29.0 94 95 A Q - 0 0 0 -2,-0.5 22,-2.3 20,-0.3 2,-0.2 -0.987 38.8-110.3-146.7 154.9 56.2 63.4 25.7 95 96 A V B >> -c 116 0A 1 -2,-0.3 3,-1.6 20,-0.2 4,-0.5 -0.558 44.5-102.8 -80.6 153.4 54.5 66.2 23.8 96 97 A F G >4 S+ 0 0 0 20,-1.1 3,-1.4 1,-0.3 4,-0.4 0.850 116.4 44.9 -46.4 -54.2 52.4 65.2 20.8 97 98 A P G 34 S+ 0 0 3 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.698 110.9 55.1 -73.5 -10.8 54.8 66.2 18.0 98 99 A S G <> S+ 0 0 15 -3,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.405 80.0 91.0 -97.0 1.5 57.8 64.6 19.6 99 100 A V H S+ 0 0 3 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.899 110.0 46.1 -62.1 -43.7 57.7 59.9 16.7 101 102 A A H > S+ 0 0 20 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.885 112.9 51.5 -63.6 -39.6 61.3 60.9 17.4 102 103 A T H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.934 111.2 46.0 -66.0 -46.9 61.1 59.4 20.9 103 104 A R H ><>S+ 0 0 66 -4,-2.8 3,-0.7 52,-0.3 5,-0.5 0.935 113.9 49.3 -61.2 -45.7 59.8 56.0 19.6 104 105 A A H ><5S+ 0 0 13 -4,-2.4 3,-2.0 -5,-0.2 -2,-0.2 0.929 106.4 56.2 -59.2 -43.4 62.4 56.0 16.8 105 106 A N H 3<5S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.739 91.7 71.1 -64.8 -21.3 65.2 56.8 19.3 106 107 A L T X<5S- 0 0 13 -4,-1.2 3,-1.7 -3,-0.7 -1,-0.3 0.729 94.4-145.4 -64.7 -20.4 64.3 53.8 21.4 107 108 A G T < 5 - 0 0 54 -3,-2.0 -3,-0.1 -4,-0.4 -2,-0.1 0.857 68.1 -46.3 57.4 39.3 65.8 51.7 18.5 108 109 A G T 3 S- 0 0 107 3,-0.3 3,-2.0 51,-0.0 -2,-0.2 -0.949 76.5-129.1-127.1 106.9 35.0 72.0 23.2 123 124 A V T 3 S+ 0 0 88 -2,-0.5 50,-0.1 1,-0.2 3,-0.1 -0.335 93.9 24.4 -58.3 127.4 33.6 68.6 24.1 124 125 A G T 3 S+ 0 0 21 49,-0.3 21,-2.0 1,-0.2 2,-0.4 0.301 107.5 89.7 103.6 -5.2 34.9 66.0 21.6 125 126 A Y E < - M 0 144C 80 -3,-2.0 -5,-0.4 19,-0.3 -3,-0.3 -0.957 51.1-166.6-132.6 142.1 38.0 67.8 20.6 126 127 A V E - M 0 143C 0 17,-2.6 17,-2.6 -2,-0.4 2,-0.6 -0.890 25.2-119.4-126.1 155.9 41.6 68.0 21.9 127 128 A N E +LM 118 142C 21 -9,-2.3 -9,-2.2 -2,-0.3 15,-0.2 -0.865 27.1 175.6 -94.5 116.3 44.5 70.4 21.2 128 129 A I + 0 0 0 13,-2.4 2,-1.9 -2,-0.6 3,-0.2 0.378 54.5 100.1 -99.9 -0.3 47.5 68.5 19.7 129 130 A S + 0 0 2 12,-0.5 8,-0.1 1,-0.2 -1,-0.1 -0.429 42.8 128.9 -84.3 63.4 49.6 71.6 19.1 130 131 A T + 0 0 12 -2,-1.9 -1,-0.2 -14,-0.2 -14,-0.1 0.246 37.5 97.4-112.1 12.1 51.7 71.0 22.3 131 132 A G S > S- 0 0 0 -3,-0.2 4,-2.8 -36,-0.1 5,-0.2 -0.406 90.3 -92.1 -88.3 177.1 55.2 71.2 20.9 132 133 A P H > S+ 0 0 56 0, 0.0 4,-0.6 0, 0.0 -57,-0.1 0.930 122.9 29.6 -57.7 -52.8 57.4 74.3 21.2 133 134 A I H >> S+ 0 0 86 267,-0.2 3,-0.7 2,-0.2 4,-0.5 0.909 120.6 52.6 -75.9 -41.9 56.5 75.9 17.8 134 135 A S H >4 S+ 0 0 2 266,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.893 106.2 54.0 -64.3 -35.8 53.0 74.5 17.6 135 136 A A H 3< S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.739 107.5 52.0 -70.2 -21.5 52.1 75.9 21.1 136 137 A A H << S+ 0 0 84 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.463 87.6 116.1 -89.4 -4.7 53.3 79.4 20.0 137 138 A G S << S- 0 0 28 -3,-1.1 260,-0.1 -4,-0.5 -3,-0.0 -0.190 74.2-122.5 -68.8 157.5 51.1 79.4 16.9 138 139 A E S S+ 0 0 200 1,-0.1 2,-0.3 258,-0.0 -1,-0.1 0.785 100.2 29.2 -70.3 -25.4 48.2 81.8 16.3 139 140 A E S S- 0 0 116 -5,-0.1 2,-0.3 255,-0.1 -2,-0.1 -0.965 79.6-140.3-130.3 151.0 45.8 78.9 15.8 140 141 A K - 0 0 76 -2,-0.3 2,-1.1 -4,-0.1 257,-0.1 -0.718 26.0-106.9-107.0 156.1 46.0 75.5 17.3 141 142 A A - 0 0 0 -2,-0.3 -13,-2.4 256,-0.2 2,-0.7 -0.786 41.6-178.3 -82.8 100.2 45.2 72.1 15.8 142 143 A I E +M 127 0C 60 -2,-1.1 -15,-0.2 -15,-0.2 250,-0.1 -0.930 15.4 167.6-106.5 107.8 41.9 71.3 17.6 143 144 A V E -M 126 0C 1 -17,-2.6 -17,-2.6 -2,-0.7 248,-0.1 -0.854 42.7 -84.3-130.3 157.4 40.8 67.9 16.4 144 145 A P E >> -M 125 0C 37 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.320 45.7-118.0 -59.8 143.1 38.3 65.2 17.1 145 146 A I H 3> S+ 0 0 8 -21,-2.0 4,-2.4 1,-0.3 5,-0.2 0.870 111.7 52.5 -52.9 -45.6 39.6 62.9 19.9 146 147 A K H 3> S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.837 106.4 53.7 -66.0 -30.2 39.7 59.8 17.7 147 148 A T H <> S+ 0 0 6 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.866 108.7 50.0 -69.8 -35.1 41.7 61.5 15.0 148 149 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.937 109.8 51.1 -65.2 -42.6 44.3 62.5 17.6 149 150 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.925 108.9 50.4 -60.1 -47.2 44.4 58.9 18.8 150 151 A A H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 234,-0.4 0.904 111.3 48.6 -60.9 -39.6 45.0 57.5 15.3 151 152 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.919 109.6 52.4 -64.5 -42.6 47.8 60.0 14.8 152 153 A V H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.6 0.932 108.6 50.9 -60.1 -43.1 49.4 59.1 18.1 153 154 A R H ><5S+ 0 0 87 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.937 109.7 49.9 -59.4 -44.6 49.3 55.4 17.0 154 155 A D H 3<5S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 109.3 52.8 -63.5 -25.5 51.0 56.3 13.7 155 156 A X H 3<5S- 0 0 5 -4,-1.6 -52,-0.3 -3,-0.4 -1,-0.3 0.488 123.3-103.5 -87.3 -8.0 53.6 58.2 15.7 156 157 A G T <<5S+ 0 0 20 -3,-1.4 -43,-0.3 -4,-0.6 -3,-0.2 0.615 72.2 140.3 96.1 15.9 54.4 55.3 17.9 157 158 A G < - 0 0 6 -5,-2.6 -1,-0.3 -6,-0.2 -43,-0.2 -0.501 41.5-155.4 -92.6 165.6 52.6 56.3 21.1 158 159 A N + 0 0 49 -45,-3.2 29,-1.0 1,-0.2 2,-0.3 0.498 67.5 5.7-115.9 -11.9 50.6 54.2 23.5 159 160 A S E -de 114 187A 0 -46,-0.8 -44,-1.0 27,-0.1 2,-0.5 -0.980 67.6-103.4-162.8 165.6 48.2 56.6 25.3 160 161 A L E -de 115 188A 0 27,-1.9 29,-2.7 -2,-0.3 2,-0.8 -0.917 23.2-152.3 -95.8 127.1 46.9 60.1 25.5 161 162 A K E -de 116 189A 5 -46,-2.6 -44,-2.4 -2,-0.5 2,-0.8 -0.913 16.6-153.9 -94.1 111.1 48.2 62.2 28.4 162 163 A Y E -de 117 190A 0 27,-1.5 29,-2.1 -2,-0.8 3,-0.4 -0.794 25.0-158.2 -96.6 107.9 45.3 64.5 29.0 163 164 A F + 0 0 39 -46,-2.0 29,-0.1 -2,-0.8 -2,-0.1 -0.992 52.0 17.8-156.7 141.5 46.7 67.6 30.5 164 165 A P + 0 0 45 0, 0.0 -1,-0.3 0, 0.0 28,-0.2 0.357 61.9 162.3 -90.6 127.5 46.1 70.0 32.2 165 166 A X > - 0 0 0 26,-2.2 5,-0.7 -3,-0.4 4,-0.3 0.749 35.6-144.7 -78.4 -24.6 42.8 68.8 33.6 166 167 A K T > 5 - 0 0 138 25,-0.1 3,-1.7 3,-0.1 2,-0.5 0.932 57.2 -81.3 52.7 48.0 42.5 71.2 36.6 167 168 A G T 3 5S- 0 0 4 25,-2.9 3,-0.3 1,-0.3 27,-0.1 -0.498 105.0 -13.1 66.6-112.9 41.0 68.4 38.5 168 169 A L T > 5S+ 0 0 58 -2,-0.5 3,-1.7 1,-0.2 -1,-0.3 0.238 103.5 108.0-106.6 14.1 37.3 68.2 37.5 169 170 A A T < 5S+ 0 0 73 -3,-1.7 -1,-0.2 -4,-0.3 3,-0.1 0.736 90.3 36.0 -63.4 -25.1 37.1 71.6 35.7 170 171 A H T 3> S+ 0 0 71 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.883 71.4 47.4 -56.8 -46.7 34.8 66.8 33.5 172 173 A E H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 114.8 47.2 -64.6 -40.2 32.4 66.7 30.5 173 174 A E H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -49,-0.3 0.914 111.5 51.6 -62.7 -43.1 35.4 67.0 28.1 174 175 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.903 105.7 54.2 -63.4 -42.5 37.2 64.3 30.0 175 176 A R H X S+ 0 0 99 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.898 108.8 49.4 -59.1 -39.6 34.2 61.9 29.8 176 177 A A H X S+ 0 0 22 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.892 109.8 51.3 -66.2 -37.9 34.2 62.3 26.0 177 178 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.930 110.0 49.9 -63.3 -43.2 38.0 61.6 25.9 178 179 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.939 110.4 49.4 -62.8 -44.9 37.4 58.4 28.0 179 180 A K H X S+ 0 0 131 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.902 111.5 49.4 -60.4 -40.5 34.6 57.2 25.7 180 181 A A H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.900 109.6 51.2 -65.9 -40.9 36.8 57.8 22.6 181 182 A C H X>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-0.7 0.911 110.0 50.1 -61.8 -39.4 39.7 56.0 24.1 182 183 A A H ><5S+ 0 0 33 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.916 110.0 49.9 -66.3 -40.8 37.4 53.0 24.9 183 184 A E H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 116.2 42.7 -62.6 -38.9 36.1 53.0 21.3 184 185 A E H 3<5S- 0 0 69 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.463 108.2-122.0 -87.2 -3.1 39.7 53.1 19.9 185 186 A G T <<5 + 0 0 58 -3,-0.7 2,-0.3 -4,-0.7 -3,-0.2 0.844 66.8 140.2 63.4 35.6 41.1 50.5 22.4 186 187 A F < - 0 0 7 -5,-2.6 26,-0.3 -6,-0.2 -1,-0.2 -0.741 51.5-110.5-116.4 156.8 43.6 53.1 23.6 187 188 A A E -e 159 0A 7 -29,-1.0 -27,-1.9 -2,-0.3 2,-0.4 -0.438 23.5-149.8 -91.1 160.8 45.0 54.0 27.0 188 189 A L E -ef 160 214A 0 25,-1.8 27,-2.2 -29,-0.2 -27,-0.2 -0.987 10.7-168.5-138.2 134.5 44.4 57.2 29.0 189 190 A E E -e 161 0A 0 -29,-2.7 -27,-1.5 -2,-0.4 2,-0.2 -0.810 14.6-158.6-125.9 87.9 46.6 59.1 31.4 190 191 A P E +e 162 0A 0 0, 0.0 27,-2.4 0, 0.0 2,-0.3 -0.489 21.3 174.5 -70.9 134.0 44.5 61.8 33.2 191 192 A T + 0 0 0 -29,-2.1 -26,-2.2 -2,-0.2 -25,-0.1 -0.997 25.9 60.7-146.1 137.7 46.8 64.5 34.7 192 193 A G S S+ 0 0 13 25,-0.5 -25,-2.9 -2,-0.3 3,-0.1 0.486 99.9 8.3 116.9 111.6 46.6 67.9 36.4 193 194 A G S S+ 0 0 51 -27,-0.3 2,-0.4 1,-0.3 -25,-0.1 0.700 78.1 152.6 70.9 21.2 45.0 68.8 39.8 194 195 A I + 0 0 6 23,-0.3 27,-0.4 -27,-0.1 25,-0.4 -0.715 15.7 164.7 -82.5 130.8 44.3 65.2 40.8 195 196 A D > - 0 0 61 -2,-0.4 4,-1.6 -3,-0.1 3,-0.5 -0.786 53.4 -86.4-137.0-179.7 44.3 64.8 44.6 196 197 A K T 4 S+ 0 0 105 -2,-0.2 4,-0.4 1,-0.2 -2,-0.0 0.788 123.7 51.2 -63.1 -28.2 43.2 62.3 47.2 197 198 A E T 4 S+ 0 0 190 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.763 120.0 31.1 -84.1 -25.2 39.6 63.7 47.2 198 199 A N T > S+ 0 0 20 -3,-0.5 4,-2.4 2,-0.1 5,-0.2 0.472 94.1 92.0-105.8 -4.1 39.0 63.6 43.4 199 200 A F H X S+ 0 0 3 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.919 86.0 49.7 -59.3 -46.3 41.1 60.6 42.5 200 201 A E H > S+ 0 0 56 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.923 112.2 47.5 -61.8 -43.2 38.3 58.1 42.8 201 202 A T H > S+ 0 0 63 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 113.5 47.5 -62.6 -45.3 35.9 60.1 40.7 202 203 A I H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.937 116.1 43.4 -66.3 -42.5 38.4 60.7 38.0 203 204 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.911 110.9 55.8 -69.4 -40.6 39.5 57.1 37.8 204 205 A R H X S+ 0 0 72 -4,-2.9 4,-3.1 -5,-0.3 5,-0.3 0.882 101.5 57.1 -59.5 -40.4 35.9 55.9 38.0 205 206 A I H X S+ 0 0 11 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.938 109.9 45.4 -56.2 -44.5 34.9 57.9 34.9 206 207 A A H <>S+ 0 0 0 -4,-1.3 5,-2.3 2,-0.2 -2,-0.2 0.932 116.2 44.0 -66.9 -44.4 37.6 56.2 32.9 207 208 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.908 110.4 54.9 -70.2 -38.4 36.7 52.7 34.1 208 209 A E H 3<5S+ 0 0 54 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.5 53.0 -58.7 -34.6 33.0 53.3 33.7 209 210 A A T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.470 119.2-116.1 -79.2 -2.5 33.7 54.2 30.1 210 211 A N T < 5 + 0 0 109 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.800 50.1 169.7 66.2 33.1 35.5 50.9 29.7 211 212 A V < - 0 0 0 -5,-2.3 -1,-0.3 1,-0.2 3,-0.1 -0.634 26.8-148.2 -65.1 127.4 38.9 52.3 29.1 212 213 A E S S+ 0 0 111 -2,-0.4 2,-0.4 -26,-0.3 -1,-0.2 0.925 75.6 25.9 -72.0 -44.6 41.1 49.2 29.3 213 214 A Q + 0 0 32 -27,-0.2 -25,-1.8 -3,-0.1 2,-0.4 -0.985 67.3 179.2-128.4 128.1 44.3 50.8 30.7 214 215 A V B -bf 12 188A 0 -203,-2.5 -201,-1.8 -2,-0.4 -25,-0.2 -0.983 12.6-171.5-128.5 135.3 44.5 53.9 32.7 215 216 A I - 0 0 0 -27,-2.2 2,-0.3 -2,-0.4 -201,-0.2 -0.831 14.5-163.6-125.6 91.1 47.6 55.6 34.3 216 217 A P - 0 0 0 0, 0.0 -201,-1.9 0, 0.0 2,-0.5 -0.580 11.0-141.7 -73.8 137.9 46.4 58.5 36.6 217 218 A H E -h 15 0B 2 -27,-2.4 -25,-0.5 -2,-0.3 2,-0.5 -0.873 18.2-176.7-101.4 127.2 49.2 61.0 37.5 218 219 A V E +h 16 0B 1 -203,-2.5 -201,-0.5 -2,-0.5 -23,-0.1 -0.968 17.5 153.2-128.3 113.1 49.2 62.3 41.0 219 220 A Y > + 0 0 44 -2,-0.5 3,-1.9 -25,-0.4 4,-0.1 0.572 59.5 6.8-109.9-109.3 51.9 64.9 41.7 220 221 A S G > S+ 0 0 99 1,-0.3 3,-1.8 2,-0.2 -25,-0.1 0.729 112.0 73.6 -60.8 -24.4 52.1 67.8 44.2 221 222 A S G 3 S+ 0 0 45 -27,-0.4 -1,-0.3 1,-0.3 -25,-0.2 0.678 106.1 37.7 -62.7 -18.3 48.9 66.9 46.1 222 223 A I G < S+ 0 0 0 -3,-1.9 9,-3.1 -27,-0.1 2,-0.5 0.153 94.8 104.6-118.9 17.6 50.7 64.0 47.7 223 224 A I B < S-N 230 0D 44 -3,-1.8 2,-0.5 7,-0.2 7,-0.3 -0.862 74.6-120.9-104.0 130.8 54.1 65.6 48.2 224 225 A D > - 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