==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-APR-11 2YGY . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.CAMPEOTTO,A.NELSON,A.BERRY,S.E.V.PHILLIPS,A.R.PEARSON . 1189 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 898 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 4 0.3 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 . 1 0.1 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 . 79 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 486 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 4 4 0 4 4 0 8 5 7 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 14 8 4 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 4 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 -1 A H > 0 0 63 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -34.8 -11.1 -26.3 -54.1 2 0 A H G > + 0 0 135 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.826 360.0 59.6 -65.8 -32.2 -11.8 -28.7 -57.0 3 1 A H G > S+ 0 0 182 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.778 100.7 57.7 -64.2 -26.1 -8.2 -28.4 -58.3 4 2 A A G X S+ 0 0 7 -3,-0.8 3,-3.1 1,-0.2 4,-0.3 0.496 71.8 110.4 -82.1 -6.1 -7.1 -29.6 -54.9 5 3 A T G X + 0 0 48 -3,-1.3 3,-1.8 1,-0.3 -1,-0.2 0.753 67.0 65.9 -37.1 -39.9 -9.1 -32.9 -55.2 6 4 A N G < S+ 0 0 96 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.533 92.2 63.8 -67.3 -5.3 -5.8 -34.9 -55.6 7 5 A L G < S+ 0 0 1 -3,-3.1 -1,-0.3 157,-0.1 -2,-0.2 0.478 76.9 114.0 -93.8 -5.6 -4.9 -34.0 -52.0 8 6 A R < + 0 0 127 -3,-1.8 2,-0.3 -4,-0.3 198,-0.1 -0.411 51.5 59.8 -66.7 138.4 -8.0 -35.9 -50.6 9 7 A G S S- 0 0 8 -2,-0.1 198,-1.8 196,-0.1 2,-0.6 -0.948 88.2 -38.9 146.9-162.3 -7.2 -38.9 -48.4 10 8 A V E -a 207 0A 2 -2,-0.3 32,-1.4 196,-0.2 33,-0.9 -0.913 53.7-175.4-109.4 111.0 -5.5 -40.4 -45.4 11 9 A M E -ab 208 43A 1 196,-3.0 198,-1.5 -2,-0.6 2,-0.3 -0.938 20.7-133.0-117.0 123.5 -2.1 -38.8 -44.7 12 10 A A E -ab 209 44A 0 31,-2.0 33,-3.5 -2,-0.5 2,-1.0 -0.552 15.5-133.8 -73.5 129.6 0.3 -39.9 -42.0 13 11 A A E - b 0 45A 1 196,-2.2 200,-0.2 -2,-0.3 33,-0.2 -0.770 36.7-128.4 -78.9 105.8 1.8 -37.0 -39.9 14 12 A L - 0 0 3 31,-2.3 33,-0.3 -2,-1.0 34,-0.2 -0.319 14.7-140.4 -68.3 135.4 5.4 -38.2 -40.0 15 13 A L - 0 0 1 195,-0.1 36,-0.2 36,-0.1 35,-0.1 -0.550 15.1-125.7 -83.5 158.0 7.4 -38.5 -36.8 16 14 A T - 0 0 2 34,-0.5 2,-0.2 -2,-0.2 242,-0.1 -0.913 20.6-147.1-109.5 106.7 11.1 -37.5 -36.7 17 15 A P - 0 0 1 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.521 16.4-166.0 -71.0 136.4 13.4 -40.3 -35.4 18 16 A F B -I 24 0B 0 251,-0.6 253,-0.5 253,-0.5 251,-0.3 -0.870 13.9-127.0-120.3 155.1 16.4 -39.1 -33.4 19 17 A D > - 0 0 43 4,-2.9 3,-1.8 -2,-0.3 6,-0.1 -0.156 47.5 -79.6 -83.8-173.6 19.6 -40.9 -32.4 20 18 A Q T 3 S+ 0 0 126 1,-0.3 -1,-0.0 2,-0.1 5,-0.0 0.747 133.4 52.8 -60.3 -25.5 21.0 -41.2 -28.8 21 19 A Q T 3 S- 0 0 148 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.249 119.0-111.9 -93.7 10.3 22.4 -37.7 -29.1 22 20 A Q S < S+ 0 0 41 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.618 76.1 132.4 66.2 17.0 19.0 -36.3 -30.2 23 21 A A S S- 0 0 43 1,-0.1 -4,-2.9 250,-0.0 -1,-0.3 -0.576 72.5 -74.4 -87.3 159.5 20.3 -35.6 -33.7 24 22 A L B -I 18 0B 22 -6,-0.2 2,-1.0 -2,-0.2 -6,-0.3 -0.313 37.2-144.3 -54.8 127.7 18.3 -36.7 -36.7 25 23 A D > - 0 0 21 -8,-2.6 4,-2.4 1,-0.2 5,-0.2 -0.832 21.3-178.0 -91.9 91.1 18.5 -40.4 -37.3 26 24 A K H > S+ 0 0 100 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.888 77.2 55.0 -62.0 -42.8 18.4 -40.3 -41.2 27 25 A A H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 112.4 43.5 -59.3 -43.8 18.5 -44.1 -41.6 28 26 A S H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.875 111.2 54.4 -68.6 -39.2 15.4 -44.5 -39.4 29 27 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.934 110.0 46.8 -58.5 -46.8 13.7 -41.5 -41.1 30 28 A R H X S+ 0 0 69 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.938 111.9 51.9 -62.5 -43.1 14.2 -43.2 -44.5 31 29 A R H X S+ 0 0 110 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.924 109.4 49.5 -54.3 -48.4 12.9 -46.5 -43.0 32 30 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.873 108.6 51.8 -64.8 -39.5 9.8 -44.8 -41.7 33 31 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.972 114.2 43.5 -58.2 -52.4 9.0 -43.1 -45.0 34 32 A Q H X S+ 0 0 48 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.892 110.8 55.8 -61.4 -40.2 9.3 -46.5 -46.8 35 33 A F H X S+ 0 0 26 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.903 110.0 45.6 -55.8 -44.1 7.3 -48.2 -44.0 36 34 A N H <>S+ 0 0 0 -4,-2.2 5,-1.7 2,-0.2 3,-0.4 0.868 111.1 51.8 -69.8 -39.6 4.5 -45.7 -44.5 37 35 A I H ><5S+ 0 0 35 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.914 108.4 52.7 -59.4 -42.8 4.6 -46.2 -48.3 38 36 A Q H 3<5S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.672 100.8 61.1 -69.5 -18.7 4.4 -50.0 -47.8 39 37 A Q T 3<5S- 0 0 17 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.542 115.8-115.7 -77.9 -10.6 1.3 -49.5 -45.7 40 38 A G T < 5 + 0 0 48 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.817 52.1 171.8 75.1 31.8 -0.4 -48.0 -48.7 41 39 A I < - 0 0 5 -5,-1.7 -1,-0.2 1,-0.1 -30,-0.1 -0.498 36.5-132.5 -69.2 141.6 -0.8 -44.6 -47.0 42 40 A D S S- 0 0 62 -32,-1.4 35,-2.2 1,-0.2 2,-0.3 0.825 73.5 -32.7 -66.0 -34.4 -2.1 -41.9 -49.5 43 41 A G E -bc 11 77A 0 -33,-0.9 -31,-2.0 33,-0.2 2,-0.4 -0.980 58.1-101.6-170.5-180.0 0.6 -39.4 -48.4 44 42 A L E -bc 12 78A 0 33,-2.2 35,-2.8 -2,-0.3 2,-0.6 -0.961 12.5-150.4-123.1 139.0 2.8 -37.9 -45.8 45 43 A Y E -bc 13 79A 1 -33,-3.5 -31,-2.3 -2,-0.4 3,-0.4 -0.946 30.6-162.2-107.6 109.9 2.4 -34.7 -43.7 46 44 A V E + c 0 80A 0 33,-2.9 35,-3.5 -2,-0.6 -31,-0.1 -0.776 56.5 8.9-110.6 135.5 6.0 -33.7 -43.0 47 45 A G S S+ 0 0 5 -2,-0.4 -1,-0.2 -33,-0.3 33,-0.1 0.672 87.6 135.1 74.4 19.7 7.4 -31.3 -40.4 48 46 A G S > >S- 0 0 1 -3,-0.4 5,-1.5 -34,-0.2 3,-0.5 -0.041 79.0 -76.1 -78.8-170.1 4.1 -30.8 -38.5 49 47 A S G > 5S+ 0 0 4 1,-0.2 3,-2.0 2,-0.2 5,-0.2 0.888 134.5 57.6 -52.6 -43.5 3.7 -30.8 -34.7 50 48 A T G 3 5S+ 0 0 16 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.835 99.3 58.6 -59.5 -34.9 4.0 -34.6 -34.9 51 49 A G G < 5S- 0 0 0 -3,-0.5 -1,-0.3 -36,-0.2 -2,-0.2 0.381 114.9-116.3 -76.0 3.8 7.4 -34.3 -36.5 52 50 A E T X 5 + 0 0 0 -3,-2.0 3,-1.7 -4,-0.1 -3,-0.2 0.789 59.8 157.3 59.1 33.4 8.6 -32.3 -33.5 53 51 A A G > < + 0 0 1 -5,-1.5 3,-1.5 1,-0.3 -4,-0.1 0.787 64.0 61.3 -53.4 -33.8 9.1 -29.3 -35.8 54 52 A F G 3 S+ 0 0 25 1,-0.3 925,-0.4 -5,-0.2 924,-0.3 0.513 104.3 47.5 -85.6 -1.7 8.9 -26.8 -32.9 55 53 A V G < S+ 0 0 0 -3,-1.7 2,-0.3 923,-0.1 -1,-0.3 0.007 103.7 84.7-114.3 25.5 12.0 -28.3 -31.2 56 54 A Q S < S- 0 0 14 -3,-1.5 2,-0.1 217,-0.0 923,-0.0 -0.937 76.7-123.8-121.0 148.3 13.9 -28.2 -34.5 57 55 A S > - 0 0 45 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.369 35.2-104.3 -73.5 166.2 15.8 -25.5 -36.2 58 56 A L H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 122.5 50.9 -57.3 -46.7 14.9 -24.3 -39.7 59 57 A S H > S+ 0 0 84 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 108.9 51.0 -59.3 -43.3 17.9 -26.1 -41.2 60 58 A E H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 110.7 49.8 -60.6 -42.3 16.9 -29.4 -39.4 61 59 A R H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.897 110.7 48.7 -64.5 -40.7 13.4 -29.0 -40.8 62 60 A E H X S+ 0 0 30 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.882 108.0 55.5 -65.4 -39.2 14.6 -28.5 -44.4 63 61 A Q H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 109.3 46.4 -57.3 -47.1 16.9 -31.5 -44.0 64 62 A V H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.918 112.6 50.5 -62.0 -45.4 13.9 -33.6 -43.1 65 63 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 111.6 47.6 -58.0 -46.3 11.9 -32.2 -46.0 66 64 A E H X S+ 0 0 88 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.904 112.9 48.2 -62.7 -44.8 14.7 -32.9 -48.5 67 65 A I H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.929 111.5 48.6 -64.6 -45.0 15.2 -36.5 -47.3 68 66 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.926 111.3 50.9 -64.1 -43.0 11.5 -37.3 -47.4 69 67 A A H X S+ 0 0 8 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.923 108.7 52.7 -54.6 -47.1 11.2 -35.9 -50.9 70 68 A E H < S+ 0 0 118 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.926 117.7 37.9 -54.2 -47.9 14.3 -38.1 -51.9 71 69 A E H < S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.859 132.2 19.1 -71.1 -39.1 12.5 -41.1 -50.5 72 70 A A H >X S+ 0 0 0 -4,-2.9 3,-2.3 -5,-0.2 4,-1.5 0.538 75.0 129.5-122.1 -12.9 8.9 -40.5 -51.5 73 71 A K T 3< S+ 0 0 127 -4,-2.3 4,-0.1 -5,-0.3 29,-0.1 -0.252 88.4 9.0 -52.7 130.3 8.5 -37.9 -54.3 74 72 A G T 34 S+ 0 0 80 2,-0.4 -1,-0.3 27,-0.2 3,-0.1 0.214 118.8 74.9 86.1 -16.4 6.3 -39.4 -57.1 75 73 A K T <4 S- 0 0 135 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.853 109.2 -1.0 -94.6 -44.2 5.3 -42.4 -55.0 76 74 A I S < S- 0 0 22 -4,-1.5 -2,-0.4 -32,-0.0 -1,-0.3 -0.916 89.5 -81.0-138.8 164.3 2.8 -40.9 -52.6 77 75 A K E -c 43 0A 77 -35,-2.2 -33,-2.2 -2,-0.3 2,-0.4 -0.377 42.6-154.0 -65.5 144.8 1.5 -37.3 -52.0 78 76 A L E -c 44 0A 0 -35,-0.2 25,-1.8 23,-0.1 26,-1.6 -0.973 12.7-175.0-129.7 122.2 3.7 -35.0 -49.9 79 77 A I E -cd 45 104A 0 -35,-2.8 -33,-2.9 -2,-0.4 2,-0.7 -0.957 14.3-151.0-113.1 126.8 2.6 -32.1 -47.8 80 78 A A E -cd 46 105A 0 24,-2.6 26,-1.9 -2,-0.5 2,-0.8 -0.881 6.2-146.5-100.0 116.5 5.2 -29.9 -46.2 81 79 A H E + d 0 106A 2 -35,-3.5 26,-0.2 -2,-0.7 24,-0.1 -0.749 27.5 167.4 -79.2 113.6 4.3 -28.2 -42.9 82 80 A V + 0 0 0 24,-3.3 11,-0.3 -2,-0.8 25,-0.2 0.330 24.1 134.6-108.2 1.2 6.2 -25.0 -43.2 83 81 A G + 0 0 0 23,-0.7 2,-0.3 10,-0.1 4,-0.1 -0.334 17.1 153.0 -70.1 130.4 4.6 -23.1 -40.3 84 82 A C - 0 0 7 2,-0.3 6,-0.1 24,-0.1 864,-0.1 -0.834 57.7-103.9-130.7 176.9 6.6 -21.1 -37.8 85 83 A V S S+ 0 0 11 862,-0.3 2,-0.2 -2,-0.3 863,-0.1 0.966 106.8 72.0 -62.0 -49.8 5.6 -18.1 -35.7 86 84 A S S > S- 0 0 4 861,-0.4 4,-1.9 1,-0.1 -2,-0.3 -0.442 73.1-150.5 -69.4 132.3 7.7 -15.9 -38.0 87 85 A T H > S+ 0 0 3 1080,-1.5 4,-2.3 -2,-0.2 5,-0.2 0.887 97.9 53.0 -69.4 -38.1 6.4 -15.3 -41.5 88 86 A A H > S+ 0 0 58 1079,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.907 109.2 48.4 -65.0 -42.3 9.9 -15.1 -43.0 89 87 A E H > S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 111.8 50.4 -61.2 -45.9 10.9 -18.4 -41.5 90 88 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.878 108.9 52.1 -57.9 -41.7 7.7 -20.0 -42.9 91 89 A Q H X S+ 0 0 56 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.872 106.2 53.9 -64.1 -37.7 8.4 -18.5 -46.4 92 90 A Q H X S+ 0 0 90 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.904 110.6 45.8 -65.2 -41.4 11.9 -20.0 -46.4 93 91 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 -11,-0.3 -1,-0.2 0.868 111.3 54.0 -67.6 -36.9 10.6 -23.4 -45.6 94 92 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.892 108.0 48.5 -63.9 -42.8 7.9 -23.0 -48.3 95 93 A A H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.899 112.4 50.0 -63.4 -39.1 10.4 -22.1 -51.0 96 94 A S H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.918 106.5 53.9 -66.6 -44.1 12.4 -25.1 -50.0 97 95 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.891 109.8 49.3 -54.4 -43.5 9.3 -27.4 -50.2 98 96 A K H ><5S+ 0 0 86 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.932 110.4 50.2 -61.3 -45.3 8.8 -26.1 -53.7 99 97 A R H 3<5S+ 0 0 156 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 110.2 50.3 -61.4 -38.0 12.5 -26.8 -54.6 100 98 A Y H 3<5S- 0 0 38 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.539 119.3-107.6 -82.0 -7.5 12.3 -30.4 -53.2 101 99 A G T <<5 + 0 0 18 -3,-1.0 -27,-0.2 -4,-0.6 -3,-0.2 0.727 54.1 168.9 89.9 25.9 9.1 -31.2 -55.2 102 100 A F < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.1 -23,-0.1 -0.324 34.7-139.2 -64.8 154.2 6.4 -31.3 -52.5 103 101 A D S S+ 0 0 63 -25,-1.8 2,-0.3 1,-0.2 -24,-0.2 0.722 78.5 0.5 -85.0 -27.4 2.8 -31.4 -53.6 104 102 A A E -d 79 0A 0 -26,-1.6 -24,-2.6 30,-0.2 2,-0.3 -0.973 60.5-135.1-154.5 162.1 1.5 -28.9 -51.0 105 103 A V E -de 80 136A 0 30,-2.5 32,-2.0 -2,-0.3 2,-0.3 -0.811 17.9-167.4-114.2 165.8 2.5 -26.7 -48.1 106 104 A S E -de 81 137A 0 -26,-1.9 -24,-3.3 -2,-0.3 -23,-0.7 -0.981 3.8-168.0-149.8 149.9 0.8 -26.3 -44.7 107 105 A A E - e 0 138A 0 30,-1.4 32,-1.6 -2,-0.3 2,-0.1 -0.979 19.3-132.9-145.5 131.6 1.1 -23.8 -41.8 108 106 A V E - e 0 139A 0 -2,-0.3 32,-0.2 30,-0.1 -24,-0.1 -0.447 49.3 -88.1 -71.9 150.1 -0.3 -23.8 -38.3 109 107 A T - 0 0 0 30,-1.2 -1,-0.1 -2,-0.1 38,-0.1 -0.504 58.2 -98.6 -60.2 125.4 -1.9 -20.6 -37.3 110 108 A P - 0 0 0 0, 0.0 5,-0.3 0, 0.0 -25,-0.1 -0.257 56.0-166.0 -55.7 135.2 1.0 -18.5 -35.9 111 109 A F + 0 0 11 3,-0.1 2,-2.2 1,-0.1 35,-0.1 -0.365 46.9 45.5-122.3-174.1 1.0 -18.8 -32.1 112 110 A Y S S+ 0 0 15 33,-0.6 -1,-0.1 925,-0.2 927,-0.0 -0.402 102.6 64.2 74.5 -65.1 2.3 -17.5 -28.8 113 111 A Y S S- 0 0 8 -2,-2.2 2,-0.6 834,-0.1 924,-0.1 -0.731 96.1-112.7 -84.0 135.8 1.8 -13.8 -29.6 114 112 A P - 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0 0 23 -6,-0.3 2,-0.9 -38,-0.1 -1,-0.3 -0.868 42.2-160.9 -97.2 117.5 -5.9 -19.5 -31.5 148 146 A K - 0 0 158 -2,-0.6 2,-0.2 -3,-0.1 -1,-0.0 -0.720 9.7-169.4-104.5 82.8 -9.7 -19.6 -31.4 149 147 A L - 0 0 21 -2,-0.9 2,-0.1 1,-0.1 -2,-0.0 -0.471 14.9-135.3 -71.1 137.1 -11.0 -19.0 -35.0 150 148 A T > - 0 0 69 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.449 28.4-107.6 -77.1 165.9 -14.7 -18.3 -35.5 151 149 A L H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 122.3 55.1 -63.3 -40.1 -16.6 -20.1 -38.4 152 150 A D H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 109.3 47.4 -55.4 -44.9 -16.7 -16.8 -40.3 153 151 A Q H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 110.4 51.3 -66.4 -41.1 -12.9 -16.6 -40.0 154 152 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.914 107.6 53.9 -62.1 -42.4 -12.4 -20.2 -41.0 155 153 A N H X S+ 0 0 29 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.877 109.4 47.7 -60.5 -38.9 -14.5 -19.6 -44.1 156 154 A T H < S+ 0 0 66 -4,-1.6 4,-0.4 2,-0.2 3,-0.3 0.898 111.8 50.5 -67.6 -41.4 -12.3 -16.6 -45.1 157 155 A L H >< S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.917 109.2 49.4 -64.3 -45.8 -9.1 -18.6 -44.6 158 156 A V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.681 110.9 50.9 -73.4 -16.5 -10.2 -21.6 -46.7 159 157 A T T 3< S+ 0 0 82 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.401 78.9 121.2 -98.6 2.5 -11.2 -19.4 -49.6 160 158 A L S X S- 0 0 12 -3,-1.2 3,-2.1 -4,-0.4 2,-0.1 -0.379 81.8 -91.1 -57.7 141.6 -7.9 -17.4 -49.7 161 159 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.407 114.7 24.0 -59.0 128.3 -6.4 -17.8 -53.2 162 160 A G T 3 S+ 0 0 41 1,-0.3 -26,-3.0 -2,-0.1 2,-0.5 0.289 88.0 127.3 97.3 -5.9 -4.0 -20.8 -53.2 163 161 A V E < +f 136 0A 11 -3,-2.1 -1,-0.3 -28,-0.2 -26,-0.2 -0.753 24.9 167.5 -88.4 124.3 -5.7 -22.6 -50.3 164 162 A G E + 0 0 4 -28,-2.6 23,-0.8 -2,-0.5 2,-0.3 0.463 57.3 8.0-114.2 -6.6 -6.6 -26.2 -51.2 165 163 A A E -fg 137 187A 0 -29,-1.4 -27,-2.4 21,-0.1 2,-0.4 -0.987 55.3-130.3-166.6 169.3 -7.5 -27.8 -47.9 166 164 A L E -fg 138 188A 1 21,-2.0 23,-2.6 -2,-0.3 2,-0.9 -0.998 10.1-150.5-132.3 123.9 -8.1 -27.5 -44.2 167 165 A K E -fg 139 189A 6 -29,-3.9 -27,-3.1 -2,-0.4 2,-1.1 -0.877 20.6-161.4 -91.2 104.9 -6.5 -29.6 -41.5 168 166 A Q E +fg 140 190A 0 21,-2.5 23,-2.2 -2,-0.9 2,-1.3 -0.755 16.6 175.4 -93.4 90.2 -9.3 -29.5 -38.9 169 167 A T + 0 0 9 -29,-2.8 -26,-0.5 -2,-1.1 2,-0.3 -0.578 43.2 111.9 -95.6 70.1 -7.7 -30.5 -35.6 170 168 A S - 0 0 17 -2,-1.3 22,-0.3 -29,-0.1 21,-0.3 -0.993 63.6-146.1-141.3 142.7 -10.9 -29.8 -33.6 171 169 A G + 0 0 31 -2,-0.3 2,-1.0 20,-0.1 595,-0.4 0.340 69.6 110.3 -86.1 4.4 -13.2 -32.2 -31.8 172 170 A D > + 0 0 75 1,-0.2 4,-1.7 593,-0.1 593,-0.1 -0.704 41.6 178.7 -88.1 98.7 -16.2 -30.0 -32.6 173 171 A L H > S+ 0 0 3 -2,-1.0 4,-1.5 591,-0.3 -1,-0.2 0.600 77.6 63.3 -83.7 -11.0 -18.2 -32.1 -35.1 174 172 A Y H > S+ 0 0 23 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.941 107.2 44.4 -66.7 -51.9 -21.0 -29.5 -35.5 175 173 A Q H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.893 108.0 58.7 -59.5 -40.8 -18.3 -27.2 -36.9 176 174 A M H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.938 109.8 43.9 -52.3 -48.1 -17.0 -30.0 -39.1 177 175 A E H X S+ 0 0 8 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.871 111.3 53.3 -66.1 -39.5 -20.4 -30.3 -40.7 178 176 A Q H X S+ 0 0 30 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.867 108.6 50.2 -63.8 -39.7 -20.8 -26.5 -41.0 179 177 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.936 111.9 47.3 -63.0 -47.2 -17.5 -26.3 -42.8 180 178 A R H < S+ 0 0 48 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.892 110.6 52.7 -61.4 -40.1 -18.6 -29.1 -45.2 181 179 A R H < S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.901 113.6 42.6 -63.0 -41.7 -21.9 -27.5 -45.8 182 180 A E H < S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 125.3 33.6 -74.0 -32.2 -20.3 -24.2 -46.7 183 181 A H >< + 0 0 13 -4,-2.1 3,-1.2 -5,-0.1 -1,-0.2 -0.738 63.3 175.2-131.0 82.4 -17.5 -25.7 -48.9 184 182 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.761 83.8 40.8 -61.4 -27.0 -18.7 -28.9 -50.7 185 183 A D T 3 S+ 0 0 88 2,-0.1 2,-0.2 0, 0.0 -181,-0.1 0.401 86.3 122.0-102.7 0.3 -15.5 -29.4 -52.7 186 184 A L < - 0 0 0 -3,-1.2 2,-0.5 -6,-0.2 -21,-0.1 -0.437 67.1-123.5 -69.8 132.6 -13.0 -28.5 -49.9 187 185 A V E -g 165 0A 0 -23,-0.8 -21,-2.0 -2,-0.2 2,-0.5 -0.670 35.9-170.0 -71.3 121.0 -10.4 -31.1 -48.9 188 186 A L E -g 166 0A 0 -2,-0.5 17,-1.6 -23,-0.2 18,-0.9 -0.894 7.3-159.0-129.4 99.1 -11.2 -31.5 -45.2 189 187 A Y E -gh 167 206A 0 -23,-2.6 -21,-2.5 -2,-0.5 2,-0.4 -0.656 16.0-133.0 -86.6 126.9 -8.8 -33.5 -43.1 190 188 A N E -gh 168 207A 0 16,-2.6 18,-1.7 -2,-0.4 -21,-0.2 -0.660 21.2-169.4 -71.9 127.2 -10.0 -34.9 -39.7 191 189 A G + 0 0 9 -23,-2.2 2,-0.8 -2,-0.4 -22,-0.2 0.701 63.3 70.7 -99.1 -25.1 -7.3 -34.0 -37.2 192 190 A Y > - 0 0 61 -24,-0.4 3,-1.9 -22,-0.3 4,-0.2 -0.870 63.1-161.1 -99.4 109.5 -8.2 -36.0 -34.1 193 191 A D G > S+ 0 0 7 -2,-0.8 3,-1.6 1,-0.3 4,-0.3 0.820 85.6 66.9 -55.0 -37.5 -7.5 -39.7 -34.7 194 192 A E G 3 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.1 576,-0.1 0.448 109.6 35.1 -70.3 -3.8 -9.8 -40.8 -31.8 195 193 A I G <> S+ 0 0 5 -3,-1.9 4,-2.8 2,-0.1 3,-0.4 0.172 78.7 125.9-128.6 15.3 -12.9 -39.5 -33.6 196 194 A F H <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.846 74.7 47.0 -42.5 -54.0 -12.0 -40.3 -37.2 197 195 A A H > S+ 0 0 2 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.912 115.6 45.6 -57.9 -45.7 -15.1 -42.3 -38.0 198 196 A S H > S+ 0 0 4 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.849 111.5 53.0 -68.9 -34.1 -17.4 -39.6 -36.5 199 197 A G H X>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 4,-1.1 0.890 108.0 49.2 -67.4 -44.7 -15.5 -36.9 -38.3 200 198 A L H ><5S+ 0 0 17 -4,-2.5 3,-0.6 3,-0.2 -2,-0.2 0.928 112.0 50.3 -56.0 -47.2 -15.8 -38.5 -41.7 201 199 A L H 3<5S+ 0 0 7 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.891 107.8 52.3 -60.9 -39.1 -19.6 -38.9 -41.0 202 200 A A H 3<5S- 0 0 14 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.665 137.9 -80.9 -71.9 -19.8 -19.8 -35.2 -40.1 203 201 A G T <<5S+ 0 0 9 -4,-1.1 -3,-0.2 -3,-0.6 -2,-0.1 0.443 81.8 136.5 137.7 2.4 -18.2 -34.4 -43.4 204 202 A A < - 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