==== 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 03-AUG-09 2WPB . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.CAMPEOTTO,A.H.BOLT,T.A.HARMAN,C.H.TRINH,C.A.DENNIS,S.E.V.P . 1187 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 900 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 149 12.6 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 . 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 . 83 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 490 41.3 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 1 0 5 3 0 4 4 0 9 3 8 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 12 12 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 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 H >> 0 0 89 0, 0.0 4,-1.5 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 114.9 -25.3 -0.5 31.6 2 -3 A H H 3> + 0 0 137 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.818 360.0 55.6 -67.2 -38.0 -25.3 1.8 34.6 3 -2 A H H 3> S+ 0 0 74 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.827 107.1 54.0 -61.9 -29.2 -22.5 0.3 36.7 4 -1 A H H <4 S+ 0 0 2 -3,-1.0 3,-0.4 2,-0.2 -2,-0.2 0.931 108.0 49.0 -69.7 -46.2 -20.2 0.8 33.6 5 0 A H H >< S+ 0 0 84 -4,-1.5 3,-1.6 1,-0.2 4,-0.2 0.912 108.3 53.9 -54.0 -45.8 -21.1 4.5 33.4 6 1 A H H 3< S+ 0 0 138 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.787 106.6 51.8 -66.3 -26.7 -20.4 5.0 37.1 7 2 A A T >< S+ 0 0 1 -4,-1.0 3,-2.9 -3,-0.4 -1,-0.3 0.355 74.1 110.7 -91.7 6.8 -16.9 3.5 36.8 8 3 A T G X + 0 0 59 -3,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.817 69.3 64.5 -48.7 -37.7 -16.0 5.9 33.9 9 4 A N G 3 S+ 0 0 89 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.560 89.8 68.3 -65.8 -8.8 -13.6 7.7 36.2 10 5 A L G < S+ 0 0 1 -3,-2.9 -1,-0.3 157,-0.1 -2,-0.2 0.500 70.5 116.9 -89.5 -5.6 -11.5 4.5 36.5 11 6 A R < + 0 0 124 -3,-1.6 2,-0.3 -4,-0.2 198,-0.1 -0.375 49.7 75.1 -61.4 136.8 -10.3 4.6 32.9 12 7 A G S S- 0 0 8 196,-0.3 198,-1.8 -2,-0.1 2,-0.6 -0.947 83.3 -54.8 152.8-172.9 -6.5 5.0 32.6 13 8 A V E -a 210 0A 2 -2,-0.3 32,-1.9 196,-0.2 33,-0.8 -0.934 52.6-178.0-110.3 110.5 -3.0 3.7 32.8 14 9 A M E -ab 211 46A 0 196,-2.9 198,-1.4 -2,-0.6 2,-0.3 -0.952 22.4-131.2-121.6 126.0 -2.4 2.1 36.2 15 10 A A E -ab 212 47A 0 31,-1.9 33,-2.6 -2,-0.4 2,-1.0 -0.542 17.5-130.3 -77.0 133.3 0.9 0.6 37.6 16 11 A A E - b 0 48A 1 196,-2.5 200,-0.2 -2,-0.3 33,-0.2 -0.790 37.8-128.2 -80.3 104.9 0.6 -2.8 39.2 17 12 A L - 0 0 2 31,-1.7 33,-0.4 -2,-1.0 34,-0.3 -0.370 13.6-140.5 -70.1 129.2 2.5 -1.9 42.4 18 13 A L - 0 0 0 -2,-0.2 36,-0.2 195,-0.1 35,-0.1 -0.454 16.0-128.1 -73.6 156.1 5.4 -4.1 43.4 19 14 A T - 0 0 2 34,-0.4 2,-0.1 -2,-0.1 242,-0.0 -0.942 22.0-142.6-109.4 107.8 5.8 -4.8 47.2 20 15 A P - 0 0 0 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.436 16.4-162.0 -69.4 141.3 9.4 -4.1 48.5 21 16 A F B -I 27 0B 1 251,-0.7 253,-0.5 253,-0.4 251,-0.3 -0.910 11.1-130.4-122.0 154.7 11.0 -6.3 51.1 22 17 A D > - 0 0 46 4,-2.5 3,-2.0 -2,-0.3 6,-0.1 -0.148 48.2 -79.1 -86.0-174.5 13.9 -5.9 53.5 23 18 A Q T 3 S+ 0 0 120 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.697 133.3 49.9 -63.6 -23.1 16.8 -8.4 54.0 24 19 A Q T 3 S- 0 0 150 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.251 119.4-109.4 -98.1 10.7 14.7 -10.6 56.2 25 20 A Q S < S+ 0 0 41 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.674 75.9 132.9 70.0 20.2 11.8 -10.6 53.6 26 21 A A S S- 0 0 43 1,-0.1 -4,-2.5 250,-0.0 -1,-0.3 -0.591 71.9 -72.9 -91.0 162.3 9.5 -8.4 55.7 27 22 A L B -I 21 0B 21 -6,-0.2 2,-1.0 -2,-0.2 -6,-0.3 -0.340 39.6-144.3 -54.9 125.6 7.7 -5.4 54.2 28 23 A D > - 0 0 22 -8,-2.6 4,-1.6 1,-0.2 -1,-0.1 -0.820 19.7-177.2 -93.5 98.5 10.0 -2.6 53.6 29 24 A K H > S+ 0 0 98 -2,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.835 76.5 53.8 -68.5 -38.5 7.8 0.4 54.4 30 25 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 110.6 47.3 -62.9 -46.2 10.2 3.2 53.5 31 26 A S H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.838 108.9 54.7 -63.4 -36.6 10.7 1.7 50.0 32 27 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.918 107.9 48.9 -63.7 -43.5 7.0 1.3 49.4 33 28 A R H X S+ 0 0 79 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.936 114.1 47.1 -62.6 -42.8 6.3 5.0 50.2 34 29 A R H X S+ 0 0 99 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.916 111.0 50.6 -62.2 -46.9 9.1 5.9 47.8 35 30 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 234,-0.2 -2,-0.2 0.927 111.2 49.6 -58.9 -43.9 7.8 3.5 45.1 36 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.930 113.3 44.2 -61.6 -48.5 4.4 5.0 45.4 37 32 A Q H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.888 110.7 56.9 -64.6 -38.2 5.6 8.7 45.2 38 33 A F H X S+ 0 0 26 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.849 106.4 49.0 -60.1 -38.9 7.8 7.6 42.3 39 34 A N H <>S+ 0 0 0 -4,-1.9 5,-1.4 2,-0.2 3,-0.5 0.918 108.1 54.6 -65.2 -45.1 4.8 6.3 40.3 40 35 A I H ><5S+ 0 0 39 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.878 106.1 51.7 -54.2 -42.4 2.9 9.6 41.0 41 36 A Q H 3<5S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 98.4 64.6 -73.7 -25.6 5.7 11.7 39.5 42 37 A Q T 3<5S- 0 0 15 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.636 118.5-111.8 -64.6 -15.8 5.8 9.6 36.3 43 38 A G T < 5 + 0 0 42 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.734 56.1 169.1 88.7 23.9 2.2 10.9 35.7 44 39 A I < - 0 0 5 -5,-1.4 -1,-0.2 1,-0.1 -30,-0.2 -0.425 37.2-136.6 -70.7 142.9 0.6 7.5 36.2 45 40 A D S S- 0 0 60 -32,-1.9 35,-2.0 1,-0.2 2,-0.3 0.706 71.1 -36.6 -74.5 -20.8 -3.2 7.7 36.4 46 41 A G E -bc 14 80A 0 -33,-0.8 -31,-1.9 33,-0.2 2,-0.4 -0.993 55.9 -95.3 177.7 178.7 -3.3 5.2 39.4 47 42 A L E -bc 15 81A 0 33,-2.5 35,-2.8 -2,-0.3 2,-0.6 -0.961 12.3-153.4-125.8 139.3 -2.1 2.2 41.3 48 43 A Y E -bc 16 82A 0 -33,-2.6 -31,-1.7 -2,-0.4 3,-0.5 -0.956 30.5-158.5-109.4 106.4 -3.4 -1.4 41.4 49 44 A V E + c 0 83A 0 33,-3.2 35,-3.2 -2,-0.6 -31,-0.1 -0.742 58.4 8.4-106.4 134.7 -2.4 -2.6 44.8 50 45 A G S S+ 0 0 5 -33,-0.4 -1,-0.2 -2,-0.4 36,-0.1 0.737 87.6 136.5 72.3 27.4 -1.9 -6.2 46.0 51 46 A G S >S- 0 0 1 -3,-0.5 5,-1.6 -34,-0.3 3,-0.3 -0.039 77.3 -73.9 -81.2-168.1 -2.2 -7.9 42.6 52 47 A S T > 5S+ 0 0 4 1,-0.2 3,-1.9 2,-0.2 5,-0.2 0.914 134.8 54.8 -53.9 -48.1 0.0 -10.7 41.2 53 48 A T T 3 5S+ 0 0 5 1,-0.3 -34,-0.4 2,-0.1 -1,-0.2 0.819 101.1 58.8 -55.2 -37.3 2.8 -8.2 40.6 54 49 A G T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 -36,-0.2 -2,-0.2 0.296 113.6-117.8 -78.8 7.7 2.6 -7.2 44.3 55 50 A E T X 5 + 0 0 0 -3,-1.9 3,-1.7 1,-0.1 -3,-0.2 0.810 57.8 158.1 60.0 33.2 3.4 -10.8 45.4 56 51 A A G > < + 0 0 1 -5,-1.6 3,-2.2 1,-0.3 -4,-0.1 0.861 62.7 63.8 -50.8 -39.9 0.0 -11.0 47.1 57 52 A F G 3 S+ 0 0 28 1,-0.3 921,-0.3 -5,-0.2 -1,-0.3 0.414 102.8 47.9 -82.9 3.5 -0.0 -14.8 46.9 58 53 A V G < S+ 0 0 0 -3,-1.7 2,-0.3 919,-0.1 -1,-0.3 0.016 103.1 81.8-117.8 21.2 3.0 -15.1 49.2 59 54 A Q S < S- 0 0 14 -3,-2.2 2,-0.1 217,-0.0 919,-0.1 -0.900 77.3-120.0-119.3 155.7 1.7 -12.6 51.8 60 55 A S > - 0 0 42 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.440 34.1-106.0 -79.5 164.1 -0.8 -13.1 54.6 61 56 A L H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 122.4 54.1 -57.5 -41.2 -4.1 -11.1 54.7 62 57 A S H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 108.5 48.4 -63.5 -41.2 -2.6 -8.9 57.5 63 58 A E H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 110.8 51.0 -64.6 -40.8 0.5 -8.1 55.3 64 59 A R H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 109.7 50.2 -62.8 -43.3 -1.8 -7.3 52.4 65 60 A E H X S+ 0 0 29 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.911 107.0 54.9 -58.6 -43.5 -3.9 -4.9 54.6 66 61 A Q H X S+ 0 0 59 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.923 109.9 46.4 -57.5 -46.1 -0.7 -3.1 55.8 67 62 A V H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.935 112.8 49.7 -60.8 -49.5 0.3 -2.4 52.2 68 63 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.928 112.4 48.4 -52.5 -49.4 -3.2 -1.2 51.3 69 64 A E H X S+ 0 0 89 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.945 112.6 46.8 -59.4 -50.0 -3.2 1.1 54.4 70 65 A I H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.908 111.2 50.8 -63.4 -41.9 0.2 2.5 53.6 71 66 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.891 109.9 51.0 -64.0 -38.1 -0.6 3.2 49.9 72 67 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.926 108.2 52.2 -63.4 -43.5 -3.8 5.0 50.9 73 68 A E H < S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 117.3 40.4 -55.4 -40.8 -1.9 7.2 53.4 74 69 A E H < S+ 0 0 36 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.803 133.3 13.0 -79.9 -33.5 0.5 8.0 50.5 75 70 A A H >X S+ 0 0 0 -4,-2.4 3,-2.0 -5,-0.1 4,-1.6 0.459 75.6 135.6-130.5 -5.8 -1.8 8.5 47.6 76 71 A K T 3< S+ 0 0 123 -4,-2.4 4,-0.1 -5,-0.3 29,-0.1 -0.275 86.6 6.1 -57.2 133.3 -5.5 8.7 48.5 77 72 A G T 34 S+ 0 0 74 2,-0.4 -1,-0.3 27,-0.2 3,-0.1 0.186 118.3 76.9 82.6 -15.4 -7.1 11.5 46.6 78 73 A K T <4 S+ 0 0 133 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.810 108.8 0.8 -93.9 -39.5 -4.1 12.2 44.4 79 74 A I S < S- 0 0 21 -4,-1.6 -2,-0.4 -32,-0.0 -1,-0.3 -0.940 90.9 -80.7-142.9 166.7 -4.4 9.3 42.0 80 75 A K E -c 46 0A 61 -35,-2.0 -33,-2.5 -2,-0.3 2,-0.5 -0.425 41.7-156.3 -73.3 144.5 -6.9 6.4 41.6 81 76 A L E -c 47 0A 0 -35,-0.2 25,-1.9 23,-0.1 26,-1.6 -0.986 10.2-174.1-128.4 120.2 -6.4 3.4 43.9 82 77 A I E -cd 48 107A 0 -35,-2.8 -33,-3.2 -2,-0.5 2,-0.7 -0.969 14.0-148.3-115.8 129.9 -7.6 -0.1 43.1 83 78 A A E -cd 49 108A 0 24,-3.0 26,-1.7 -2,-0.5 2,-0.9 -0.880 3.8-149.6-102.3 112.3 -7.3 -2.8 45.7 84 79 A H E + d 0 109A 1 -35,-3.2 26,-0.2 -2,-0.7 24,-0.1 -0.735 28.2 164.5 -77.9 110.7 -6.7 -6.3 44.5 85 80 A V + 0 0 0 24,-2.8 11,-0.3 -2,-0.9 12,-0.2 0.274 22.8 135.5-109.1 4.2 -8.5 -8.2 47.3 86 81 A G + 0 0 0 23,-0.6 2,-0.3 10,-0.1 4,-0.1 -0.356 17.6 155.6 -72.8 132.0 -8.7 -11.6 45.6 87 82 A C - 0 0 6 2,-0.4 860,-0.1 24,-0.1 6,-0.1 -0.808 56.3-105.2-129.8 177.1 -7.9 -14.9 47.3 88 83 A V S S+ 0 0 12 858,-0.3 2,-0.3 -2,-0.3 859,-0.1 0.890 106.6 75.6 -66.7 -41.2 -9.1 -18.5 46.6 89 84 A S S > S- 0 0 4 857,-0.3 4,-1.8 1,-0.2 -2,-0.4 -0.566 73.1-151.9 -73.4 130.6 -11.3 -18.1 49.7 90 85 A T H > S+ 0 0 6 1076,-1.1 4,-2.3 -2,-0.3 -1,-0.2 0.948 99.3 50.2 -62.5 -47.5 -14.4 -16.0 49.3 91 86 A A H > S+ 0 0 60 1075,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.837 108.6 50.6 -64.7 -36.4 -14.3 -15.0 53.0 92 87 A E H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 111.6 48.8 -63.9 -42.4 -10.6 -14.0 52.8 93 88 A S H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.872 108.7 54.4 -63.9 -38.3 -11.4 -11.8 49.8 94 89 A Q H X S+ 0 0 57 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.895 105.4 52.4 -63.6 -42.3 -14.4 -10.3 51.6 95 90 A Q H X S+ 0 0 89 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.938 112.0 45.8 -56.6 -48.4 -12.2 -9.3 54.6 96 91 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -11,-0.3 -2,-0.2 0.877 109.9 54.9 -66.1 -35.1 -9.8 -7.5 52.2 97 92 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -12,-0.2 -2,-0.2 0.943 109.2 47.0 -61.6 -48.8 -12.7 -5.9 50.4 98 93 A A H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.933 112.3 50.6 -57.5 -47.0 -14.0 -4.4 53.7 99 94 A S H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 107.3 53.0 -56.9 -46.8 -10.5 -3.2 54.6 100 95 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.3 0.869 109.1 50.1 -57.3 -39.8 -10.1 -1.5 51.2 101 96 A K H ><5S+ 0 0 85 -4,-1.9 3,-1.6 3,-0.2 -1,-0.2 0.958 109.8 50.9 -61.4 -49.8 -13.4 0.3 51.8 102 97 A R H 3<5S+ 0 0 163 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.867 108.9 51.0 -56.1 -40.6 -12.2 1.5 55.3 103 98 A Y T 3<5S- 0 0 37 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.458 118.3-109.6 -81.4 -1.3 -8.9 2.8 53.9 104 99 A G T < 5 + 0 0 18 -3,-1.6 -27,-0.2 -4,-0.3 -3,-0.2 0.742 53.4 169.5 85.0 24.8 -10.7 4.9 51.2 105 100 A F < - 0 0 6 -5,-2.2 -1,-0.2 1,-0.1 -23,-0.1 -0.277 35.9-136.0 -64.8 156.2 -9.8 3.0 48.0 106 101 A D S S- 0 0 50 -25,-1.9 2,-0.3 1,-0.2 -24,-0.2 0.803 79.0 -0.4 -84.4 -26.5 -11.6 3.9 44.7 107 102 A A E -d 82 0A 0 -26,-1.6 -24,-3.0 30,-0.2 2,-0.3 -0.983 58.3-137.4-158.2 157.3 -12.2 0.3 43.6 108 103 A V E -de 83 139A 0 30,-2.4 32,-1.8 -2,-0.3 2,-0.3 -0.751 18.3-170.6-112.4 169.6 -11.6 -3.4 44.5 109 104 A S E -de 84 140A 0 -26,-1.7 -24,-2.8 -2,-0.3 -23,-0.6 -0.975 5.0-163.5-156.0 148.6 -10.6 -6.3 42.2 110 105 A A E - e 0 141A 0 30,-1.4 32,-1.5 -2,-0.3 -26,-0.1 -0.930 18.4-131.8-145.3 126.2 -10.4 -10.1 42.4 111 106 A V E - e 0 142A 0 -2,-0.3 32,-0.2 30,-0.2 -24,-0.1 -0.324 49.3 -88.2 -61.4 148.0 -8.6 -12.6 40.3 112 107 A T - 0 0 0 30,-1.3 -1,-0.1 1,-0.1 38,-0.1 -0.422 58.2 -97.4 -60.5 127.9 -10.8 -15.6 39.3 113 108 A P - 0 0 0 0, 0.0 5,-0.3 0, 0.0 -25,-0.1 -0.275 55.4-166.0 -60.1 135.6 -10.4 -18.0 42.2 114 109 A F + 0 0 11 3,-0.1 2,-2.2 -3,-0.1 35,-0.1 -0.301 47.7 44.7-118.6-172.1 -7.8 -20.7 41.3 115 110 A Y S S+ 0 0 16 33,-0.5 923,-0.1 921,-0.2 -1,-0.1 -0.459 103.6 63.6 68.7 -69.0 -6.3 -24.1 42.1 116 111 A Y S S- 0 0 7 -2,-2.2 2,-0.5 1,-0.1 920,-0.0 -0.641 94.4-113.8 -81.4 140.2 -9.7 -25.8 42.7 117 112 A P - 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0 0 18 -4,-1.7 4,-1.5 -5,-0.3 5,-0.2 0.234 38.4-116.2 91.2 129.0 -18.6 -32.5 43.2 1145 251 D V H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.945 102.7 40.2 -74.4 -55.2 -16.1 -34.7 44.9 1146 252 D F H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 121.1 44.9 -63.1 -43.5 -15.2 -33.3 48.3 1147 253 D R H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.815 112.0 52.1 -72.4 -29.4 -18.8 -32.2 49.0 1148 254 D G H X S+ 0 0 0 -4,-1.5 4,-2.3 -8,-0.2 -1,-0.2 0.919 110.2 48.8 -69.8 -43.1 -20.2 -35.5 47.8 1149 255 D L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.901 111.0 50.6 -57.9 -43.5 -17.8 -37.4 50.1 1150 256 D K H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 9,-0.2 0.839 109.4 51.5 -66.9 -34.1 -18.8 -35.1 53.0 1151 257 D T H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 108.7 49.3 -69.5 -44.1 -22.5 -35.8 52.3 1152 258 D V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.950 111.7 50.6 -56.6 -47.5 -22.0 -39.6 52.3 1153 259 D L H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-1.0 0.805 105.9 55.4 -60.8 -32.2 -20.1 -39.1 55.6 1154 260 D H H ><5S+ 0 0 67 -4,-1.4 3,-1.6 4,-0.2 -1,-0.2 0.931 108.7 47.4 -66.8 -42.9 -23.0 -37.1 56.9 1155 261 D Y H 3<5S+ 0 0 60 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.797 105.7 58.4 -71.0 -23.6 -25.4 -40.0 56.2 1156 262 D M T 3<5S- 0 0 13 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.301 119.7-115.2 -83.0 11.9 -22.9 -42.4 57.8 1157 263 D D T < 5S+ 0 0 138 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.772 90.7 103.9 60.3 32.2 -23.4 -40.2 61.0 1158 264 D V S - 0 0 22 -2,-0.3 3,-1.9 1,-0.1 -1,-0.1 -0.456 62.4 -62.3 -76.3 147.6 -15.8 -23.6 52.0 1166 272 D K T 3 S+ 0 0 78 1,-0.3 -1076,-1.1 -2,-0.1 -1075,-0.4 -0.380 119.6 45.2 -56.4 141.9 -16.9 -20.8 49.6 1167 273 D P T 3 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 -1041,-0.1 -0.971 103.3 83.1 -81.1 2.4 -16.5 -20.5 46.7 1168 274 D F S < S- 0 0 22 -3,-1.9 -1050,-0.1 -1050,-0.1 -4,-0.0 -0.493 74.5-149.5 -57.5 136.6 -17.5 -24.2 46.6 1169 275 D G - 0 0 11 1,-0.2 -5,-0.2 -2,-0.1 3,-0.1 -0.419 23.5 -78.5 -98.8-178.1 -21.3 -24.3 46.8 1170 276 D P - 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 -0.320 53.7 -87.6 -78.0 163.2 -23.6 -26.9 48.3 1171 277 D V - 0 0 19 -9,-0.1 2,-0.3 -24,-0.1 -27,-0.1 -0.379 50.3-102.0 -62.9 145.2 -24.5 -30.3 46.7 1172 278 D D > - 0 0 87 -29,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.583 27.3-131.7 -68.4 134.0 -27.5 -30.1 44.4 1173 279 D E G > S+ 0 0 156 -2,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.684 100.5 71.8 -66.2 -16.9 -30.4 -31.5 46.3 1174 280 D K G 3 S+ 0 0 142 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.681 96.3 54.5 -69.8 -14.8 -31.4 -33.8 43.3 1175 281 D Y G <> S+ 0 0 35 -3,-1.8 4,-2.5 1,-0.1 3,-0.3 0.591 81.6 89.9 -92.0 -13.7 -28.4 -35.9 44.2 1176 282 D L H <> S+ 0 0 45 -3,-0.9 4,-3.2 -4,-0.3 5,-0.2 0.865 82.2 54.2 -60.2 -43.5 -29.2 -36.5 47.8 1177 283 D P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.916 112.8 45.1 -54.1 -44.2 -31.2 -39.8 47.3 1178 284 D E H > S+ 0 0 84 -3,-0.3 4,-2.4 -4,-0.3 -2,-0.2 0.929 114.2 47.9 -62.6 -47.6 -28.3 -41.3 45.4 1179 285 D L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.914 113.3 49.5 -60.7 -38.8 -25.8 -40.1 48.0 1180 286 D K H X S+ 0 0 107 -4,-3.2 4,-2.0 -5,-0.2 -2,-0.2 0.909 110.1 49.0 -67.3 -41.9 -28.0 -41.5 50.7 1181 287 D A H X S+ 0 0 51 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.911 110.2 52.7 -65.2 -39.6 -28.4 -44.9 49.0 1182 288 D L H X S+ 0 0 10 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.923 106.4 52.3 -59.1 -47.7 -24.6 -45.0 48.6 1183 289 D A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.941 113.2 44.8 -53.6 -51.0 -24.0 -44.4 52.3 1184 290 D Q H X S+ 0 0 104 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.948 112.0 51.2 -58.5 -54.4 -26.4 -47.2 53.2 1185 291 D Q H X S+ 0 0 92 -4,-3.0 4,-1.5 1,-0.2 3,-0.3 0.957 114.4 43.7 -47.2 -57.1 -24.9 -49.6 50.6 1186 292 D L H X S+ 0 0 1 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.829 111.3 53.9 -62.4 -34.6 -21.4 -48.9 52.0 1187 293 D M H < S+ 0 0 80 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.872 109.9 48.9 -65.6 -35.5 -22.5 -49.2 55.6 1188 294 D Q H < S+ 0 0 176 -4,-2.4 -2,-0.2 -3,-0.3 -1,-0.2 0.794 108.9 54.4 -71.1 -30.7 -24.0 -52.6 54.8 1189 295 D E H < 0 0 79 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.1 0.965 360.0 360.0 -72.1 -54.3 -20.8 -53.8 53.1 1190 296 D R < 0 0 147 -4,-1.7 -3,-0.1 0, 0.0 -2,-0.0 0.543 360.0 360.0 51.3 360.0 -18.3 -53.1 55.9