==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-JAN-10 3LCI . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-Y.CHOU,A.H.-J.WANG,T.-P.KO . 1178 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 914 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 85 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 488 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 0 0 4 4 0 4 4 0 6 8 6 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 13 11 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 . 5 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 1 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 4 A N 0 0 135 0, 0.0 71,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.5 4.4 10.8 34.4 2 5 A L + 0 0 24 157,-0.2 2,-0.1 2,-0.0 35,-0.0 0.434 360.0 112.9 -96.9 -2.1 4.7 14.2 32.6 3 6 A R + 0 0 87 198,-0.1 2,-0.3 2,-0.0 198,-0.1 -0.464 50.3 70.2 -71.6 143.4 6.6 15.9 35.5 4 7 A G S S- 0 0 11 196,-0.2 198,-2.4 -2,-0.1 2,-0.7 -0.947 84.8 -50.6 149.3-169.7 10.2 16.8 34.8 5 8 A V E +a 202 0A 2 -2,-0.3 32,-2.2 196,-0.2 33,-0.7 -0.914 55.0 177.5-108.8 107.5 12.7 19.0 33.0 6 9 A M E -ab 203 38A 0 196,-3.1 198,-1.5 -2,-0.7 2,-0.3 -0.933 24.6-126.9-121.3 135.8 12.0 19.1 29.2 7 10 A A E -ab 204 39A 0 31,-1.8 33,-2.9 -2,-0.4 2,-0.9 -0.550 15.4-131.3 -80.1 134.2 13.7 21.0 26.4 8 11 A A E - b 0 40A 3 196,-1.9 200,-0.2 -2,-0.3 33,-0.2 -0.782 40.2-129.0 -81.9 108.8 11.8 23.1 24.0 9 12 A L - 0 0 4 31,-2.2 33,-0.3 -2,-0.9 34,-0.3 -0.354 13.0-140.0 -69.5 135.8 13.3 21.8 20.8 10 13 A L - 0 0 1 -2,-0.1 36,-0.2 195,-0.1 35,-0.1 -0.585 14.9-128.4 -89.0 156.0 14.8 24.0 18.1 11 14 A T - 0 0 2 34,-0.5 2,-0.1 -2,-0.2 13,-0.0 -0.903 21.9-143.4-110.1 104.4 14.2 23.3 14.4 12 15 A P - 0 0 0 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.405 19.2-170.2 -67.1 138.0 17.5 23.2 12.4 13 16 A F B -I 19 0B 2 251,-0.6 251,-0.4 253,-0.4 253,-0.3 -0.840 16.3-123.3-124.2 162.7 17.4 24.7 8.9 14 17 A D > - 0 0 48 4,-2.7 3,-2.2 -2,-0.3 6,-0.1 -0.315 46.3 -80.9 -95.4-176.4 20.0 24.6 6.0 15 18 A Q T 3 S+ 0 0 120 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.740 131.7 52.0 -58.1 -24.5 21.4 27.6 4.1 16 19 A Q T 3 S- 0 0 155 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.148 120.6-106.6 -99.8 19.5 18.3 27.8 2.0 17 20 A Q S < S+ 0 0 41 -3,-2.2 2,-0.2 1,-0.2 -2,-0.1 0.567 77.0 133.0 70.3 10.8 16.0 27.8 5.0 18 21 A A - 0 0 43 1,-0.1 -4,-2.7 250,-0.0 -1,-0.2 -0.569 69.8 -81.0 -90.7 158.4 14.8 24.3 4.5 19 22 A L B -I 13 0B 27 -6,-0.2 2,-0.9 -2,-0.2 -6,-0.3 -0.323 36.1-145.2 -56.7 133.9 14.5 21.7 7.3 20 23 A D > - 0 0 23 -8,-2.6 4,-2.1 1,-0.2 5,-0.1 -0.842 18.2-176.2-104.3 91.8 17.9 20.1 8.1 21 24 A K H > S+ 0 0 96 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.885 78.0 54.2 -56.9 -46.3 16.9 16.6 9.0 22 25 A A H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 112.1 44.4 -58.5 -43.0 20.4 15.4 9.9 23 26 A S H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.862 110.2 55.7 -70.1 -34.5 20.9 18.2 12.4 24 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.953 111.1 44.6 -61.9 -46.9 17.3 17.7 13.7 25 28 A R H X S+ 0 0 84 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.927 113.3 50.9 -62.7 -43.9 18.2 14.1 14.5 26 29 A R H X S+ 0 0 93 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.933 109.3 50.7 -59.2 -45.5 21.6 15.1 15.9 27 30 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.889 108.6 51.7 -61.0 -40.4 19.9 17.7 18.2 28 31 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.933 112.7 45.0 -62.9 -43.7 17.4 15.1 19.5 29 32 A Q H X S+ 0 0 60 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.854 109.3 56.5 -67.7 -34.9 20.2 12.6 20.3 30 33 A F H X S+ 0 0 58 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.908 108.8 46.8 -62.5 -41.9 22.3 15.4 21.9 31 34 A N H <>S+ 0 0 0 -4,-2.0 5,-1.6 2,-0.2 -2,-0.2 0.929 112.7 49.2 -65.4 -46.2 19.4 16.2 24.3 32 35 A I H ><5S+ 0 0 29 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.940 109.6 51.4 -58.4 -49.7 18.9 12.5 25.2 33 36 A Q H 3<5S+ 0 0 159 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.2 56.4 -60.0 -29.9 22.6 12.0 25.9 34 37 A Q T 3<5S- 0 0 21 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.325 120.8-109.1 -86.2 10.6 22.6 15.0 28.2 35 38 A G T < 5 + 0 0 43 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.816 52.6 170.8 71.5 37.0 19.8 13.4 30.2 36 39 A I < - 0 0 7 -5,-1.6 -1,-0.2 1,-0.1 -30,-0.2 -0.476 35.9-134.1 -75.6 149.0 16.8 15.5 29.5 37 40 A D S S- 0 0 64 -32,-2.2 35,-1.9 1,-0.2 2,-0.3 0.778 73.0 -43.1 -73.9 -26.7 13.5 14.1 30.8 38 41 A G E -bc 6 72A 0 -33,-0.7 -31,-1.8 33,-0.2 2,-0.4 -0.983 57.8 -95.1-179.8-175.8 11.7 14.9 27.5 39 42 A L E -bc 7 73A 0 33,-2.2 35,-2.9 -2,-0.3 2,-0.7 -0.976 10.6-149.3-130.9 142.0 11.1 17.2 24.6 40 43 A Y E -bc 8 74A 4 -33,-2.9 -31,-2.2 -2,-0.4 2,-0.4 -0.943 31.8-163.1-106.4 112.3 8.5 19.9 23.8 41 44 A V E + c 0 75A 1 33,-3.2 35,-3.6 -2,-0.7 -31,-0.1 -0.834 55.9 13.4-109.6 135.7 8.2 19.9 20.0 42 45 A G S S+ 0 0 7 -2,-0.4 -1,-0.2 -33,-0.3 36,-0.1 0.742 88.0 129.6 82.5 23.2 6.8 22.4 17.5 43 46 A G S > >S- 0 0 2 -3,-0.3 5,-1.6 -34,-0.3 3,-0.6 -0.094 81.6 -71.3 -92.7-163.6 6.4 25.3 20.0 44 47 A S G > 5S+ 0 0 6 1,-0.2 3,-2.1 2,-0.2 5,-0.2 0.926 134.6 55.4 -54.4 -46.3 7.5 28.9 19.7 45 48 A T G 3 5S+ 0 0 12 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.791 100.4 58.5 -57.8 -32.8 11.1 27.7 20.1 46 49 A G G < 5S- 0 0 0 -3,-0.6 -1,-0.3 -36,-0.2 -2,-0.2 0.391 112.1-120.4 -80.7 5.6 10.7 25.3 17.1 47 50 A E T X 5 + 0 0 0 -3,-2.1 3,-2.2 -4,-0.1 -3,-0.2 0.768 57.7 157.3 59.0 30.0 9.8 28.3 14.9 48 51 A A G > < + 0 0 1 -5,-1.6 3,-1.7 1,-0.3 -4,-0.1 0.819 61.9 63.6 -52.6 -35.8 6.5 26.6 14.3 49 52 A F G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -6,-0.2 920,-0.3 0.445 102.3 48.2 -76.9 2.4 4.8 29.9 13.4 50 53 A V G < S+ 0 0 0 -3,-2.2 2,-0.3 918,-0.1 -1,-0.3 -0.043 103.7 83.5-122.8 25.8 7.1 30.3 10.3 51 54 A Q S < S- 0 0 16 -3,-1.7 2,-0.1 217,-0.0 918,-0.1 -0.912 77.0-120.9-125.9 154.8 6.4 26.7 9.2 52 55 A S > - 0 0 36 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.410 35.7-103.3 -85.8 168.9 3.6 25.1 7.2 53 56 A L H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 122.2 49.3 -60.6 -45.6 1.4 22.4 8.7 54 57 A S H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 109.1 53.5 -64.1 -34.2 3.2 19.6 6.7 55 58 A E H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 109.7 47.7 -64.8 -43.7 6.6 21.0 7.7 56 59 A R H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.872 111.7 50.2 -63.8 -37.7 5.5 20.8 11.4 57 60 A E H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.887 106.9 55.5 -67.3 -38.7 4.2 17.2 10.9 58 61 A Q H X S+ 0 0 64 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.902 109.3 46.9 -60.2 -41.6 7.5 16.3 9.3 59 62 A V H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.932 111.3 50.1 -67.5 -45.6 9.4 17.5 12.3 60 63 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.925 111.5 49.6 -58.2 -45.4 7.1 15.7 14.8 61 64 A E H X S+ 0 0 86 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.926 111.4 47.3 -61.5 -47.2 7.4 12.4 12.8 62 65 A I H X S+ 0 0 8 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.930 111.8 50.7 -62.2 -43.7 11.2 12.5 12.7 63 66 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.896 109.3 50.9 -61.9 -39.6 11.5 13.3 16.4 64 67 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.924 107.6 53.4 -63.5 -42.5 9.2 10.4 17.3 65 68 A E H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 117.1 39.7 -58.1 -37.7 11.4 8.1 15.1 66 69 A E H < S+ 0 0 41 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.832 132.6 16.1 -82.1 -36.1 14.4 9.3 17.1 67 70 A A H >X S+ 0 0 0 -4,-2.9 3,-2.7 -5,-0.1 4,-1.4 0.596 78.8 127.9-118.8 -13.5 13.1 9.5 20.7 68 71 A K T 3< S+ 0 0 122 -4,-2.3 4,-0.1 -5,-0.4 29,-0.1 -0.192 86.8 12.8 -48.8 130.7 9.8 7.6 21.0 69 72 A G T 34 S+ 0 0 82 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.467 119.4 71.4 80.8 1.3 10.2 5.2 23.9 70 73 A K T <4 S+ 0 0 129 -3,-2.7 2,-0.3 1,-0.5 -2,-0.2 0.706 108.7 1.6-114.5 -38.4 13.3 6.8 25.3 71 74 A I S < S- 0 0 21 -4,-1.4 -1,-0.5 -32,-0.0 -2,-0.4 -0.946 88.9 -81.2-145.6 162.3 12.1 10.1 26.7 72 75 A K E -c 38 0A 68 -35,-1.9 -33,-2.2 -2,-0.3 2,-0.4 -0.396 42.3-155.7 -67.4 144.2 8.7 11.9 27.0 73 76 A L E -c 39 0A 0 -35,-0.2 25,-2.1 23,-0.1 26,-1.3 -0.976 10.7-173.6-129.2 119.9 7.5 13.6 23.9 74 77 A I E -cd 40 99A 0 -35,-2.9 -33,-3.2 -2,-0.4 2,-0.6 -0.951 12.5-151.9-113.3 126.3 5.1 16.5 23.9 75 78 A A E -cd 41 100A 0 24,-2.9 26,-1.8 -2,-0.5 2,-0.9 -0.869 4.9-149.1-102.1 118.3 3.8 17.8 20.6 76 79 A H E + d 0 101A 1 -35,-3.6 26,-0.2 -2,-0.6 24,-0.1 -0.767 24.7 168.4 -85.4 108.7 2.7 21.5 20.3 77 80 A V + 0 0 0 24,-2.5 11,-0.3 -2,-0.9 12,-0.2 0.253 24.7 140.7-103.8 10.7 -0.0 21.4 17.7 78 81 A G + 0 0 0 23,-0.7 2,-0.3 -36,-0.1 26,-0.1 -0.296 15.0 154.5 -66.3 136.0 -1.3 24.9 18.3 79 82 A C - 0 0 6 24,-0.2 6,-0.1 2,-0.2 859,-0.1 -0.874 54.9-109.1-143.9 169.2 -2.4 27.2 15.5 80 83 A V S S+ 0 0 11 -2,-0.3 2,-0.2 857,-0.3 858,-0.1 0.952 105.6 71.0 -68.1 -46.4 -4.8 30.1 15.4 81 84 A S S > S- 0 0 3 856,-0.3 4,-1.8 1,-0.1 -2,-0.2 -0.492 75.0-149.5 -72.1 130.6 -7.2 27.9 13.5 82 85 A T H > S+ 0 0 6 1075,-1.2 4,-2.4 -2,-0.2 5,-0.2 0.938 97.0 53.2 -65.5 -46.9 -8.8 25.1 15.4 83 86 A A H > S+ 0 0 60 1074,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.868 109.6 47.7 -56.6 -42.0 -9.1 22.8 12.4 84 87 A E H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 111.5 51.0 -67.3 -39.5 -5.4 23.2 11.6 85 88 A S H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.864 108.3 53.1 -64.4 -36.3 -4.6 22.5 15.3 86 89 A Q H X S+ 0 0 56 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.880 104.7 54.7 -66.8 -38.4 -6.8 19.4 15.1 87 90 A Q H X S+ 0 0 89 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.923 110.1 46.1 -61.7 -43.3 -4.9 18.1 12.1 88 91 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 -11,-0.3 -1,-0.2 0.864 109.4 55.0 -68.1 -35.3 -1.6 18.3 14.0 89 92 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -12,-0.2 -1,-0.2 0.887 108.2 48.6 -64.7 -39.5 -3.0 16.7 17.1 90 93 A A H X S+ 0 0 34 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.846 111.2 50.1 -69.7 -34.1 -4.2 13.7 15.1 91 94 A S H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.895 107.4 54.6 -70.5 -37.3 -0.8 13.4 13.4 92 95 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.880 108.0 49.8 -60.8 -40.2 0.9 13.5 16.9 93 96 A K H ><5S+ 0 0 82 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.933 109.6 51.4 -63.8 -46.8 -1.3 10.6 18.0 94 97 A R H 3<5S+ 0 0 159 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.879 109.0 50.5 -58.3 -39.8 -0.3 8.7 14.9 95 98 A Y H 3<5S- 0 0 31 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.573 117.9-112.0 -77.7 -8.8 3.4 9.3 15.6 96 99 A G T <<5 + 0 0 34 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.808 51.5 170.0 85.8 30.7 3.1 8.1 19.2 97 100 A F < - 0 0 4 -5,-2.4 -23,-0.2 1,-0.1 -1,-0.1 -0.331 37.0-132.8 -70.5 158.1 3.6 11.3 21.2 98 101 A D S S- 0 0 63 -25,-2.1 2,-0.3 1,-0.2 -24,-0.2 0.717 80.0 -7.7 -84.6 -20.3 2.9 11.1 24.9 99 102 A A E -d 74 0A 0 -26,-1.3 -24,-2.9 30,-0.2 2,-0.3 -0.982 59.6-131.6-165.7 166.8 0.9 14.4 24.9 100 103 A V E -de 75 131A 0 30,-2.5 32,-2.2 -2,-0.3 2,-0.3 -0.778 17.4-169.1-121.9 168.3 -0.2 17.4 22.9 101 104 A S E -de 76 132A 0 -26,-1.8 -24,-2.5 -2,-0.3 -23,-0.7 -0.983 3.2-164.8-156.3 153.6 -0.1 21.1 23.7 102 105 A A E - e 0 133A 0 30,-1.2 32,-1.3 -2,-0.3 2,-0.1 -0.956 18.8-130.8-150.6 127.2 -1.6 24.3 22.2 103 106 A V E - e 0 134A 0 -2,-0.3 -24,-0.2 30,-0.1 32,-0.1 -0.394 48.6 -88.6 -69.1 151.6 -0.9 28.0 22.7 104 107 A T - 0 0 0 30,-1.1 38,-0.1 1,-0.1 -1,-0.1 -0.452 58.3 -96.7 -60.3 129.2 -4.0 30.1 23.2 105 108 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 -25,-0.1 -0.253 56.1-162.2 -52.4 133.0 -5.1 31.1 19.7 106 109 A F + 0 0 12 -3,-0.1 2,-2.8 3,-0.1 35,-0.1 -0.340 48.5 38.0-113.4-170.8 -3.7 34.6 18.9 107 110 A Y S S+ 0 0 18 33,-0.7 -1,-0.1 920,-0.2 922,-0.1 -0.347 103.9 67.2 67.1 -63.6 -3.9 37.7 16.7 108 111 A Y S S- 0 0 7 -2,-2.8 2,-0.3 829,-0.1 919,-0.0 -0.643 94.9-111.8 -84.6 142.2 -7.7 37.7 16.5 109 112 A P - 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0 0 6 -5,-2.2 -1,-0.3 1,-0.1 -15,-0.2 -0.337 37.7-160.8 -60.4 145.0 -5.8 60.7 5.8 1088 203 D D - 0 0 47 -17,-1.9 -196,-0.3 -19,-0.1 2,-0.3 0.166 67.7 -15.6-114.6 17.8 -6.8 60.9 2.1 1089 204 D G E - l 01072I 1 -18,-0.8 -16,-2.4 -198,-0.1 2,-0.3 -0.958 68.4-126.4 174.9-162.1 -8.8 57.8 2.0 1090 205 D G E -el 8931073I 0 -198,-2.7 -196,-3.1 -18,-0.3 2,-0.4 -0.989 8.1-146.7-171.3 161.4 -9.5 54.6 3.9 1091 206 D I E +e 894 0I 0 -18,-1.8 2,-0.3 -2,-0.3 -196,-0.2 -0.998 35.7 152.7-134.8 128.1 -9.7 50.8 4.1 1092 207 D G E > -e 895 0I 5 -198,-1.2 -196,-2.0 -2,-0.4 3,-0.5 -0.998 50.9-125.4-160.8 156.9 -12.2 49.1 6.4 1093 208 D S T > S+ 0 0 14 -2,-0.3 3,-1.3 1,-0.2 4,-0.2 0.835 106.2 58.5 -66.3 -39.9 -14.4 46.1 7.2 1094 209 D T T >> S+ 0 0 0 1,-0.3 4,-1.5 2,-0.2 3,-1.4 0.657 83.1 81.8 -70.3 -15.9 -17.7 48.0 7.5 1095 210 D Y H <> S+ 0 0 0 -3,-0.5 4,-1.5 1,-0.3 -1,-0.3 0.760 78.7 72.5 -59.6 -23.6 -17.4 49.4 3.9 1096 211 D N H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.831 110.2 26.0 -61.6 -34.1 -18.9 46.0 2.8 1097 212 D I H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.603 142.2 14.5-106.0 -15.2 -22.4 46.8 4.1 1098 213 D M H >X + 0 0 0 -4,-1.5 3,-1.9 2,-0.0 4,-0.8 -0.032 69.0 142.1-152.1 40.0 -22.4 50.7 3.9 1099 214 D G H 3X + 0 0 0 -4,-1.5 4,-1.8 1,-0.3 3,-0.3 0.794 69.6 66.7 -54.3 -32.2 -19.5 51.9 1.8 1100 215 D W H 3> S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.745 93.2 60.4 -63.5 -24.6 -21.6 54.7 0.3 1101 216 D R H <> S+ 0 0 2 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.921 106.0 46.2 -68.9 -42.3 -21.8 56.4 3.7 1102 217 D Y H X S+ 0 0 0 -4,-0.8 4,-2.1 -3,-0.3 -2,-0.2 0.877 112.1 50.3 -67.8 -36.1 -18.0 56.7 3.8 1103 218 D Q H X S+ 0 0 47 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.894 109.8 52.6 -66.3 -38.4 -18.0 58.0 0.2 1104 219 D G H X S+ 0 0 18 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.876 106.3 52.6 -64.1 -37.6 -20.7 60.4 1.4 1105 220 D I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.938 109.3 48.2 -63.6 -46.0 -18.5 61.6 4.2 1106 221 D V H X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.927 114.4 47.8 -58.3 -45.9 -15.6 62.2 1.8 1107 222 D K H X S+ 0 0 117 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.936 111.5 49.8 -59.8 -49.4 -18.0 64.1 -0.4 1108 223 D A H <>S+ 0 0 5 -4,-3.2 5,-3.0 1,-0.2 3,-0.3 0.921 112.0 46.3 -57.9 -48.9 -19.4 66.1 2.5 1109 224 D L H ><5S+ 0 0 15 -4,-2.8 3,-1.1 1,-0.2 -587,-0.2 0.870 109.2 55.8 -63.3 -36.9 -16.0 67.2 3.9 1110 225 D K H 3<5S+ 0 0 168 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.826 111.8 43.9 -64.8 -30.6 -14.9 68.1 0.4 1111 226 D E T 3<5S- 0 0 126 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.320 116.7-111.8 -96.9 6.5 -17.9 70.4 0.1 1112 227 D G T < 5 + 0 0 21 -3,-1.1 2,-1.0 -4,-0.2 -3,-0.2 0.796 69.2 143.1 69.2 28.8 -17.6 71.9 3.6 1113 228 D D >< + 0 0 60 -5,-3.0 4,-2.1 1,-0.2 3,-0.2 -0.658 15.0 166.4-102.0 76.4 -20.7 70.3 4.9 1114 229 D I H > S+ 0 0 19 -2,-1.0 4,-2.7 -597,-0.2 5,-0.2 0.835 72.2 58.0 -59.2 -36.7 -19.6 69.4 8.4 1115 230 D Q H > S+ 0 0 142 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 109.5 43.9 -61.8 -45.3 -23.2 68.7 9.6 1116 231 D T H > S+ 0 0 59 2,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.909 112.8 51.8 -66.2 -42.7 -23.7 66.0 6.9 1117 232 D A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.941 113.0 45.9 -58.7 -47.3 -20.2 64.5 7.6 1118 233 D Q H X S+ 0 0 51 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.867 110.8 52.0 -64.0 -39.9 -21.0 64.3 11.3 1119 234 D K H X S+ 0 0 116 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.927 111.5 47.4 -63.7 -44.1 -24.4 62.8 10.7 1120 235 D L H X S+ 0 0 34 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.913 111.0 50.2 -64.5 -42.3 -23.0 60.1 8.5 1121 236 D Q H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.913 108.6 53.7 -63.1 -41.1 -20.2 59.2 10.9 1122 237 D T H X S+ 0 0 38 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.913 109.0 47.9 -59.6 -44.0 -22.7 59.0 13.8 1123 238 D E H X S+ 0 0 24 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.904 111.1 51.0 -64.9 -40.5 -24.8 56.5 11.8 1124 239 D C H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 110.4 50.5 -61.8 -40.4 -21.7 54.4 11.0 1125 240 D N H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.809 102.1 58.5 -70.1 -28.8 -20.8 54.4 14.6 1126 241 D K H X S+ 0 0 97 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.903 111.2 44.9 -64.8 -37.0 -24.3 53.2 15.7 1127 242 D V H X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.945 111.7 50.5 -68.7 -47.7 -23.6 50.2 13.5 1128 243 D I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.873 104.0 59.7 -59.4 -35.8 -20.0 49.8 14.8 1129 244 D D H X S+ 0 0 41 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.944 110.1 43.2 -56.5 -47.1 -21.5 49.9 18.3 1130 245 D L H >X S+ 0 0 13 -4,-1.4 4,-2.4 1,-0.2 3,-0.6 0.929 109.4 54.8 -65.2 -48.6 -23.6 46.8 17.4 1131 246 D L H 3X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.3 -1,-0.2 0.874 104.4 55.6 -54.1 -39.6 -20.8 45.0 15.6 1132 247 D I H 3< S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.854 110.7 45.6 -63.9 -32.9 -18.6 45.2 18.7 1133 248 D K H << S+ 0 0 116 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.896 120.9 37.3 -75.1 -41.0 -21.3 43.6 20.7 1134 249 D T H < S- 0 0 2 -4,-2.4 29,-0.3 1,-0.2 -2,-0.2 0.767 124.7 -86.2 -82.2 -29.6 -22.0 40.8 18.1 1135 250 D G X - 0 0 17 -4,-3.1 4,-1.3 -5,-0.3 5,-0.2 -0.041 37.8-115.2 121.0 131.9 -18.5 40.1 16.9 1136 251 D W H > S+ 0 0 67 2,-0.2 4,-2.2 -4,-0.2 5,-0.2 0.990 103.9 30.8 -65.2 -68.7 -17.1 42.1 14.1 1137 252 D F H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.902 124.1 46.7 -60.9 -42.3 -16.5 39.8 11.1 1138 253 D R H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.836 110.3 54.0 -70.8 -30.3 -19.4 37.5 11.9 1139 254 D G H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.921 110.5 46.6 -66.9 -42.6 -21.7 40.5 12.5 1140 255 D L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 112.4 49.6 -65.0 -44.1 -20.8 41.8 9.0 1141 256 D K H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 9,-0.2 0.895 108.6 53.2 -61.7 -41.3 -21.3 38.4 7.4 1142 257 D T H X S+ 0 0 6 -4,-2.3 4,-2.2 11,-0.3 -1,-0.2 0.926 109.8 48.2 -61.2 -44.2 -24.7 38.0 9.1 1143 258 D V H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.926 111.5 49.1 -61.3 -46.3 -25.9 41.4 7.7 1144 259 D L H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-0.7 0.843 107.6 57.3 -61.2 -34.4 -24.6 40.5 4.2 1145 260 D H H ><5S+ 0 0 61 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.959 107.3 45.8 -60.9 -50.7 -26.5 37.2 4.6 1146 261 D Y H 3<5S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.663 107.0 59.4 -68.1 -14.7 -29.8 39.0 5.2 1147 262 D M T 3<5S- 0 0 12 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.269 120.6-114.0 -93.9 10.4 -28.9 41.3 2.3 1148 263 D D T < 5S+ 0 0 135 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.780 90.9 104.0 63.4 33.5 -28.9 38.1 0.2 1149 264 D V S - 0 0 24 -2,-0.3 3,-2.0 1,-0.1 -1,-0.0 -0.555 63.1 -66.0 -82.2 144.3 -13.8 29.8 11.0 1157 272 D K T 3 S+ 0 0 108 1,-0.4 -1075,-1.2 -2,-0.2 -1074,-0.4 -0.296 119.2 46.5 -60.2 151.5 -13.2 28.3 14.4 1158 273 D P T 3 S+ 0 0 4 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.979 102.6 88.5 -66.9 3.8 -12.2 29.3 17.1 1159 274 D F S < S- 0 0 21 -3,-2.0 -4,-0.1 -1049,-0.1 -1049,-0.1 -0.514 73.6-148.3 -65.4 131.3 -14.6 32.1 16.0 1160 275 D G - 0 0 14 -2,-0.2 -5,-0.2 1,-0.2 -22,-0.1 -0.352 21.7 -88.1 -93.0 177.6 -18.0 31.1 17.4 1161 276 D P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.300 52.7 -82.1 -81.0 173.0 -21.4 31.9 15.8 1162 277 D V - 0 0 21 -24,-0.1 2,-0.3 -9,-0.1 -27,-0.1 -0.550 49.4-107.2 -74.0 136.1 -23.4 35.0 16.5 1163 278 D D > - 0 0 79 -29,-0.3 3,-2.6 -2,-0.2 4,-0.3 -0.493 26.8-129.3 -65.6 124.4 -25.5 34.9 19.7 1164 279 D E G > S+ 0 0 153 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.712 100.9 73.6 -48.6 -27.4 -29.1 34.5 18.6 1165 280 D K G 3 S+ 0 0 139 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.755 95.5 53.6 -62.6 -20.0 -30.3 37.4 20.8 1166 281 D Y G <> S+ 0 0 45 -3,-2.6 4,-2.2 1,-0.2 3,-0.3 0.575 81.0 89.8 -90.6 -10.6 -28.6 39.8 18.3 1167 282 D L H <> S+ 0 0 40 -3,-1.4 4,-3.4 -4,-0.3 5,-0.3 0.881 81.4 57.7 -56.0 -42.3 -30.3 38.5 15.1 1168 283 D P H > S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.932 110.7 42.8 -55.6 -46.7 -33.3 40.9 15.4 1169 284 D E H > S+ 0 0 89 -4,-0.3 4,-2.6 -3,-0.3 -2,-0.2 0.925 115.1 49.9 -65.1 -43.6 -31.1 44.0 15.4 1170 285 D L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.924 112.6 46.8 -62.1 -43.8 -28.9 42.6 12.6 1171 286 D K H X S+ 0 0 115 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.939 112.4 50.1 -63.7 -44.4 -31.9 41.8 10.5 1172 287 D A H X S+ 0 0 59 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.896 110.1 51.1 -61.3 -38.4 -33.4 45.2 11.1 1173 288 D L H X S+ 0 0 11 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.939 109.0 49.7 -64.2 -46.0 -30.0 46.8 10.2 1174 289 D A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 112.2 48.8 -58.0 -43.5 -29.9 44.9 6.9 1175 290 D Q H X S+ 0 0 106 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.935 111.9 48.9 -60.9 -48.1 -33.4 46.0 6.1 1176 291 D Q H X S+ 0 0 84 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.893 111.5 49.3 -59.2 -43.9 -32.5 49.6 6.9 1177 292 D L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.875 109.9 50.1 -66.7 -38.8 -29.4 49.5 4.8 1178 293 D M H < S+ 0 0 73 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.883 110.8 49.2 -67.9 -38.3 -31.2 48.0 1.7 1179 294 D Q H < S+ 0 0 156 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.5 49.6 -66.7 -36.3 -33.9 50.6 1.9 1180 295 D E H < 0 0 86 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.867 360.0 360.0 -69.9 -37.2 -31.3 53.3 2.2 1181 296 D R < 0 0 101 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.931 360.0 360.0 -86.0 360.0 -29.4 51.9 -0.8