==== 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 08-JAN-10 3LBC . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-Y.CHOU,T.-P.KO,A.H.-J.WANG . 1178 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 904 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 13.1 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 . 3 0.3 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 . 84 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 487 41.3 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 4 0 0 4 4 0 4 4 0 5 11 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 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 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 4 A N 0 0 140 0, 0.0 71,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.4 -53.4 -94.8 -34.0 2 5 A L + 0 0 25 157,-0.1 2,-0.1 2,-0.0 35,-0.0 0.456 360.0 114.5 -94.9 -2.2 -50.7 -92.8 -32.3 3 6 A R + 0 0 94 198,-0.1 2,-0.3 2,-0.0 198,-0.1 -0.402 50.2 67.8 -68.6 144.4 -50.1 -90.4 -35.2 4 7 A G S S- 0 0 12 196,-0.2 198,-2.5 -2,-0.1 2,-0.6 -0.923 84.3 -48.4 146.6-171.6 -51.0 -86.8 -34.5 5 8 A V E +a 202 0A 2 -2,-0.3 32,-2.0 196,-0.2 33,-0.7 -0.919 54.2 176.6-106.6 112.7 -50.4 -83.5 -32.7 6 9 A M E -ab 203 38A 0 196,-3.0 198,-1.3 -2,-0.6 33,-0.2 -0.967 25.9-126.5-127.1 132.6 -50.0 -84.0 -28.9 7 10 A A E -ab 204 39A 0 31,-1.6 33,-3.0 -2,-0.4 2,-0.9 -0.503 16.7-130.8 -75.9 136.1 -49.2 -81.6 -26.2 8 11 A A E - b 0 40A 3 196,-2.2 200,-0.2 -2,-0.2 33,-0.2 -0.800 40.9-127.8 -83.3 109.1 -46.3 -82.2 -23.8 9 12 A L - 0 0 3 31,-2.2 33,-0.3 -2,-0.9 34,-0.3 -0.357 14.7-140.7 -69.4 136.9 -48.2 -81.5 -20.6 10 13 A L - 0 0 1 -2,-0.1 36,-0.2 195,-0.1 35,-0.1 -0.505 14.2-128.2 -88.1 160.6 -46.9 -79.1 -18.0 11 14 A T - 0 0 2 34,-0.6 2,-0.2 -2,-0.2 10,-0.1 -0.922 20.1-144.4-115.1 107.4 -47.3 -79.9 -14.3 12 15 A P - 0 0 0 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.472 18.4-168.3 -69.8 138.5 -48.9 -77.0 -12.3 13 16 A F B -I 19 0B 1 251,-0.6 253,-0.4 253,-0.5 251,-0.3 -0.875 15.3-124.6-123.9 159.0 -47.6 -76.4 -8.8 14 17 A D > - 0 0 48 4,-2.8 3,-2.0 -2,-0.3 6,-0.1 -0.235 46.7 -79.8 -90.5-174.2 -48.9 -74.3 -5.9 15 18 A Q T 3 S+ 0 0 120 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.727 131.8 52.5 -60.1 -23.1 -47.0 -71.6 -4.0 16 19 A Q T 3 S- 0 0 154 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.181 120.7-106.2 -99.2 17.4 -45.2 -74.2 -1.9 17 20 A Q S < S+ 0 0 41 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.611 78.0 132.6 70.0 15.7 -44.0 -76.2 -5.0 18 21 A A S S- 0 0 42 1,-0.1 -4,-2.8 250,-0.0 -1,-0.2 -0.600 70.2 -79.3 -94.6 158.6 -46.5 -79.0 -4.5 19 22 A L B -I 13 0B 26 -6,-0.2 2,-1.1 -2,-0.2 -6,-0.3 -0.325 35.6-145.8 -57.4 130.2 -48.7 -80.5 -7.2 20 23 A D > - 0 0 25 -8,-2.6 4,-2.1 1,-0.2 3,-0.2 -0.809 18.5-175.6 -99.5 89.3 -51.7 -78.2 -7.9 21 24 A K H > S+ 0 0 94 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.880 78.2 53.4 -54.4 -45.6 -54.2 -81.0 -8.7 22 25 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 112.1 45.0 -59.8 -42.2 -57.1 -78.6 -9.6 23 26 A S H > S+ 0 0 0 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.836 110.2 54.9 -71.8 -31.7 -54.9 -76.8 -12.1 24 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.949 110.7 45.9 -64.5 -46.1 -53.6 -80.0 -13.5 25 28 A R H X S+ 0 0 84 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.924 112.5 50.9 -62.4 -42.7 -57.1 -81.1 -14.1 26 29 A R H X S+ 0 0 98 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.880 109.3 50.2 -62.6 -38.5 -58.0 -77.7 -15.7 27 30 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.871 109.5 50.9 -68.9 -36.7 -55.0 -77.9 -18.0 28 31 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.964 113.4 45.0 -63.2 -50.0 -55.9 -81.3 -19.2 29 32 A Q H X S+ 0 0 63 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.866 110.2 55.7 -61.3 -36.4 -59.5 -80.2 -19.9 30 33 A F H X S+ 0 0 56 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.913 108.7 47.3 -62.5 -43.5 -58.1 -77.0 -21.6 31 34 A N H <>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 3,-0.3 0.910 110.9 50.8 -65.0 -42.6 -56.1 -79.1 -24.0 32 35 A I H ><5S+ 0 0 35 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.896 109.8 52.5 -61.8 -38.9 -59.0 -81.4 -24.8 33 36 A Q H 3<5S+ 0 0 161 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.766 102.9 55.8 -69.4 -28.3 -61.1 -78.3 -25.5 34 37 A Q T 3<5S- 0 0 29 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.362 121.8-103.3 -88.0 9.3 -58.6 -76.8 -27.9 35 38 A G T < 5 + 0 0 42 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.729 56.9 169.5 82.5 25.5 -58.7 -80.0 -30.0 36 39 A I < - 0 0 7 -5,-1.9 -1,-0.2 1,-0.1 -30,-0.2 -0.386 34.2-139.2 -69.4 146.2 -55.5 -81.7 -29.1 37 40 A D S S- 0 0 64 -32,-2.0 35,-2.1 1,-0.2 2,-0.3 0.740 72.3 -37.4 -77.5 -23.2 -55.1 -85.3 -30.4 38 41 A G E -bc 6 72A 0 -33,-0.7 -31,-1.6 33,-0.2 2,-0.4 -0.982 58.9 -98.8-179.5-179.0 -53.5 -86.4 -27.2 39 42 A L E -bc 7 73A 0 33,-2.3 35,-2.8 -2,-0.3 2,-0.7 -0.969 11.0-148.6-128.4 142.1 -51.1 -85.7 -24.3 40 43 A Y E -bc 8 74A 2 -33,-3.0 -31,-2.2 -2,-0.4 2,-0.4 -0.945 32.3-163.5-107.1 110.1 -47.5 -86.6 -23.6 41 44 A V E + c 0 75A 1 33,-3.1 35,-3.8 -2,-0.7 -31,-0.1 -0.804 55.6 13.5-107.6 138.5 -47.3 -86.9 -19.8 42 45 A G S S+ 0 0 5 -2,-0.4 -1,-0.2 -33,-0.3 33,-0.1 0.702 89.5 127.6 80.4 20.0 -44.4 -86.9 -17.4 43 46 A G S > >S- 0 0 3 -3,-0.3 5,-1.6 -34,-0.3 3,-0.6 -0.043 82.0 -68.8 -90.8-162.3 -41.8 -85.8 -19.9 44 47 A S G > 5S+ 0 0 5 1,-0.2 3,-1.9 2,-0.2 5,-0.2 0.919 134.0 53.8 -53.7 -47.6 -39.3 -82.9 -19.8 45 48 A T G 3 5S+ 0 0 6 1,-0.3 -34,-0.6 2,-0.1 -1,-0.2 0.753 100.3 59.3 -61.9 -28.1 -42.1 -80.4 -20.0 46 49 A G G < 5S- 0 0 0 -3,-0.6 -1,-0.3 -36,-0.2 -2,-0.2 0.373 112.8-119.6 -83.0 6.8 -43.9 -82.0 -17.0 47 50 A E T X 5 + 0 0 0 -3,-1.9 3,-1.8 -4,-0.1 -3,-0.2 0.814 59.1 156.6 57.9 33.6 -40.8 -81.2 -14.9 48 51 A A G > < + 0 0 1 -5,-1.6 3,-1.5 1,-0.3 -4,-0.1 0.800 62.0 64.1 -58.9 -31.0 -40.6 -85.0 -14.3 49 52 A F G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -5,-0.2 920,-0.3 0.447 103.4 46.4 -79.3 1.9 -36.8 -84.7 -13.6 50 53 A V G < S+ 0 0 0 -3,-1.8 2,-0.3 918,-0.1 -1,-0.3 -0.012 103.8 84.8-123.9 23.1 -37.4 -82.6 -10.5 51 54 A Q S < S- 0 0 14 -3,-1.5 2,-0.1 217,-0.0 918,-0.1 -0.896 76.1-121.8-122.9 154.4 -40.2 -84.9 -9.3 52 55 A S > - 0 0 40 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.355 35.1-100.9 -85.8 171.8 -40.0 -88.2 -7.3 53 56 A L H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.935 123.5 48.7 -59.4 -48.5 -41.4 -91.5 -8.5 54 57 A S H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 110.4 51.6 -61.8 -35.6 -44.6 -91.2 -6.4 55 58 A E H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 110.1 48.6 -68.6 -39.4 -45.1 -87.7 -7.7 56 59 A R H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 111.5 50.0 -66.1 -41.7 -44.8 -88.8 -11.3 57 60 A E H X S+ 0 0 32 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.904 107.0 55.4 -62.4 -40.5 -47.2 -91.6 -10.7 58 61 A Q H X S+ 0 0 61 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.911 108.4 47.7 -58.5 -44.6 -49.7 -89.2 -9.1 59 62 A V H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.921 111.0 51.0 -63.8 -44.3 -49.7 -87.0 -12.2 60 63 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.934 112.0 48.0 -58.1 -45.9 -50.1 -90.0 -14.5 61 64 A E H X S+ 0 0 82 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.915 112.9 46.6 -62.5 -45.8 -53.1 -91.2 -12.4 62 65 A I H X S+ 0 0 8 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.925 112.0 50.0 -64.9 -44.1 -54.8 -87.9 -12.3 63 66 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.900 109.7 52.2 -61.8 -39.2 -54.4 -87.2 -16.0 64 67 A A H X S+ 0 0 4 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.918 107.7 51.2 -62.3 -44.7 -55.8 -90.7 -16.8 65 68 A E H < S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.881 115.6 44.0 -59.4 -38.4 -58.9 -90.0 -14.7 66 69 A E H < S+ 0 0 43 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.836 132.2 10.6 -77.7 -35.6 -59.4 -86.8 -16.6 67 70 A A H >X S+ 0 0 0 -4,-2.5 3,-2.2 -5,-0.1 4,-1.7 0.484 76.5 133.0-128.7 -0.9 -58.8 -87.8 -20.2 68 71 A K B 3< S+j 71 0C 121 -4,-2.5 4,-0.1 -5,-0.3 29,-0.1 -0.303 88.2 10.7 -55.8 131.5 -58.6 -91.6 -20.7 69 72 A G T 34 S+ 0 0 79 2,-0.5 -1,-0.3 27,-0.2 3,-0.1 0.134 118.1 75.8 87.5 -22.0 -60.8 -92.5 -23.6 70 73 A K T <4 S- 0 0 128 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.860 110.4 -1.5 -87.6 -42.0 -61.2 -88.8 -24.6 71 74 A I B < S-j 68 0C 17 -4,-1.7 -2,-0.5 -32,-0.0 -1,-0.3 -0.915 89.9 -80.8-142.2 166.4 -57.8 -88.3 -26.2 72 75 A K E -c 38 0A 78 -35,-2.1 -33,-2.3 -2,-0.3 2,-0.4 -0.453 42.7-155.0 -71.0 144.8 -54.7 -90.4 -26.7 73 76 A L E -c 39 0A 0 -35,-0.2 25,-2.2 23,-0.1 26,-1.4 -0.970 12.2-175.4-129.2 119.2 -52.4 -90.7 -23.6 74 77 A I E -cd 40 99A 0 -35,-2.8 -33,-3.1 -2,-0.4 2,-0.6 -0.949 14.1-150.7-112.7 127.6 -48.7 -91.4 -23.7 75 78 A A E -cd 41 100A 0 24,-2.8 26,-2.1 -2,-0.5 2,-1.0 -0.869 4.8-148.9-101.3 117.4 -46.8 -91.8 -20.5 76 79 A H E + d 0 101A 1 -35,-3.8 26,-0.2 -2,-0.6 24,-0.1 -0.775 26.6 167.0 -84.3 110.8 -43.2 -90.8 -20.4 77 80 A V + 0 0 0 24,-2.8 11,-0.3 -2,-1.0 12,-0.2 0.323 24.4 136.5-105.6 4.5 -41.8 -93.2 -17.8 78 81 A G + 0 0 0 23,-0.9 2,-0.3 10,-0.1 26,-0.1 -0.275 17.9 156.4 -64.8 134.8 -38.2 -92.7 -18.5 79 82 A C - 0 0 7 2,-0.3 859,-0.1 24,-0.2 -2,-0.1 -0.827 56.2-106.6-140.0 173.7 -35.6 -92.3 -15.7 80 83 A V S S+ 0 0 12 -2,-0.3 2,-0.2 857,-0.3 858,-0.1 0.932 106.6 73.6 -70.8 -42.5 -31.9 -92.9 -15.6 81 84 A S S > S- 0 0 3 856,-0.3 4,-1.8 1,-0.1 -2,-0.3 -0.471 72.4-152.2 -72.2 133.0 -32.7 -96.0 -13.6 82 85 A T H > S+ 0 0 5 1075,-1.2 4,-2.5 -2,-0.2 5,-0.2 0.942 97.7 53.0 -69.1 -45.8 -34.2 -99.0 -15.5 83 86 A A H > S+ 0 0 45 1074,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.908 110.1 47.1 -54.9 -47.3 -36.0 -100.2 -12.4 84 87 A E H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 111.4 51.4 -62.5 -42.5 -37.6 -96.8 -11.8 85 88 A S H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.879 108.8 51.8 -62.2 -38.2 -38.7 -96.6 -15.4 86 89 A Q H X S+ 0 0 54 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.880 105.8 54.1 -66.1 -39.4 -40.2 -100.1 -15.2 87 90 A Q H X S+ 0 0 93 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.930 111.2 45.6 -61.0 -44.3 -42.2 -99.1 -12.1 88 91 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 -11,-0.3 -1,-0.2 0.875 110.1 54.6 -67.3 -35.8 -43.7 -96.1 -14.0 89 92 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.908 107.9 49.1 -63.5 -41.9 -44.4 -98.3 -17.0 90 93 A A H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.895 111.6 50.0 -64.2 -40.0 -46.4 -100.7 -14.9 91 94 A S H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.933 106.8 53.5 -63.9 -46.3 -48.3 -97.8 -13.4 92 95 A A H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-0.4 0.850 109.8 50.2 -56.8 -35.1 -49.1 -96.3 -16.9 93 96 A K H ><5S+ 0 0 86 -4,-1.6 3,-1.3 3,-0.2 -1,-0.2 0.948 109.9 49.3 -68.0 -48.5 -50.5 -99.8 -17.7 94 97 A R H 3<5S+ 0 0 154 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.862 110.9 50.4 -58.7 -37.9 -52.6 -99.8 -14.6 95 98 A Y T 3<5S- 0 0 34 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.508 116.6-111.0 -81.5 -5.5 -54.0 -96.3 -15.3 96 99 A G T < 5 + 0 0 24 -3,-1.3 -3,-0.2 -4,-0.4 -27,-0.2 0.782 52.4 167.7 85.5 26.9 -54.9 -97.1 -18.9 97 100 A F < - 0 0 5 -5,-2.5 -23,-0.2 -6,-0.1 -1,-0.2 -0.332 37.8-133.0 -69.2 158.8 -52.5 -95.1 -20.9 98 101 A D S S- 0 0 63 -25,-2.2 2,-0.3 1,-0.2 -24,-0.2 0.692 79.9 -5.7 -85.7 -20.8 -52.3 -95.9 -24.6 99 102 A A E -d 74 0A 0 -26,-1.4 -24,-2.8 30,-0.2 2,-0.3 -0.983 60.3-131.3-164.4 166.8 -48.5 -96.0 -24.7 100 103 A V E -de 75 131A 0 30,-2.4 32,-2.1 -2,-0.3 2,-0.3 -0.804 18.4-166.0-121.9 165.7 -45.3 -95.4 -22.8 101 104 A S E -de 76 132A 0 -26,-2.1 -24,-2.8 -2,-0.3 -23,-0.9 -0.988 3.5-165.3-151.4 152.8 -42.1 -93.5 -23.6 102 105 A A E - e 0 133A 0 30,-1.3 32,-1.4 -2,-0.3 2,-0.1 -0.942 17.1-135.9-149.9 125.5 -38.6 -93.2 -22.3 103 106 A V E - e 0 134A 0 -2,-0.3 -24,-0.2 30,-0.1 32,-0.1 -0.402 48.9 -88.6 -69.6 151.8 -35.8 -90.7 -22.9 104 107 A T - 0 0 0 30,-1.1 -1,-0.1 1,-0.1 38,-0.1 -0.470 57.3 -97.1 -61.8 129.0 -32.4 -92.3 -23.4 105 108 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 -25,-0.1 -0.235 55.6-164.2 -52.4 133.2 -30.9 -92.7 -19.9 106 109 A F + 0 0 11 3,-0.1 2,-2.4 -3,-0.1 35,-0.1 -0.386 48.5 41.5-115.0-171.1 -28.6 -89.8 -19.2 107 110 A Y S S+ 0 0 14 33,-0.6 922,-0.1 920,-0.2 -1,-0.1 -0.461 104.2 66.0 71.3 -69.1 -25.8 -88.4 -17.1 108 111 A Y S S- 0 0 7 -2,-2.4 2,-0.3 1,-0.1 919,-0.0 -0.595 95.1-114.0 -80.2 140.2 -23.9 -91.7 -16.9 109 112 A P - 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0 0 16 -2,-1.5 22,-0.3 -29,-0.1 21,-0.2 -0.991 62.6-146.6-143.7 142.8 -33.6 -83.2 -33.3 166 169 A G + 0 0 28 -2,-0.3 2,-1.2 20,-0.1 593,-0.4 0.287 69.5 110.9 -93.0 9.2 -33.2 -80.3 -35.7 167 170 A D > + 0 0 72 1,-0.2 4,-1.6 591,-0.1 591,-0.1 -0.715 40.5 176.3 -86.0 96.3 -31.4 -82.6 -38.2 168 171 A L H > S+ 0 0 2 -2,-1.2 4,-1.5 589,-0.4 -1,-0.2 0.561 75.7 64.1 -80.6 -6.0 -34.0 -82.9 -41.0 169 172 A Y H > S+ 0 0 25 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.929 107.7 42.5 -76.3 -47.8 -31.6 -84.9 -43.2 170 173 A Q H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 110.0 58.1 -63.8 -36.7 -31.8 -87.6 -40.5 171 174 A M H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.931 109.3 44.4 -58.5 -45.1 -35.6 -87.1 -40.2 172 175 A E H X S+ 0 0 10 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.904 112.1 52.5 -66.3 -40.9 -35.9 -87.9 -43.9 173 176 A Q H X S+ 0 0 28 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.878 108.5 50.3 -62.6 -38.9 -33.6 -90.9 -43.6 174 177 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.919 112.5 46.7 -65.6 -43.6 -35.7 -92.3 -40.8 175 178 A R H < S+ 0 0 45 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.902 111.1 52.1 -64.2 -42.7 -38.9 -91.9 -42.8 176 179 A R H < S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.906 114.5 42.2 -60.6 -42.7 -37.3 -93.4 -45.9 177 180 A E H < S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.736 124.1 38.3 -76.9 -23.0 -36.2 -96.5 -43.9 178 181 A H >< + 0 0 26 -4,-1.6 3,-1.5 -5,-0.2 -1,-0.2 -0.625 63.1 174.8-133.4 76.8 -39.5 -96.7 -42.0 179 182 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.762 84.9 37.0 -49.5 -35.0 -42.5 -95.9 -44.2 180 183 A D T 3 S+ 0 0 132 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.412 85.5 124.4-103.8 2.3 -45.1 -96.8 -41.5 181 184 A L < - 0 0 20 -3,-1.5 2,-0.7 -6,-0.2 -21,-0.1 -0.397 64.9-124.8 -67.0 133.6 -43.3 -95.5 -38.4 182 185 A V E -g 160 0A 11 -23,-0.7 -21,-2.0 -2,-0.1 2,-0.5 -0.716 36.9-171.7 -76.8 116.3 -45.2 -92.9 -36.3 183 186 A L E -g 161 0A 0 -2,-0.7 17,-1.9 -23,-0.2 18,-0.8 -0.924 9.4-158.6-122.0 108.7 -42.6 -90.1 -36.2 184 187 A Y E -gh 162 201A 0 -23,-2.4 -21,-2.6 -2,-0.5 2,-0.4 -0.720 16.3-133.3 -89.9 127.5 -43.2 -87.1 -34.0 185 188 A N E -gh 163 202A 0 16,-2.7 18,-1.8 -2,-0.5 -21,-0.2 -0.642 21.7-169.0 -73.9 128.1 -41.4 -83.8 -34.7 186 189 A G + 0 0 8 -23,-2.2 2,-0.9 -2,-0.4 -22,-0.2 0.732 62.6 72.3 -95.7 -25.3 -40.0 -82.7 -31.4 187 190 A Y > - 0 0 63 -24,-0.4 3,-2.1 -22,-0.3 4,-0.2 -0.823 63.8-159.8 -97.4 107.4 -38.8 -79.1 -32.0 188 191 A D G > S+ 0 0 11 -2,-0.9 3,-1.8 1,-0.3 4,-0.3 0.848 86.0 66.1 -49.1 -42.6 -41.9 -76.9 -32.2 189 192 A E G 3 S+ 0 0 32 1,-0.3 -1,-0.3 2,-0.1 574,-0.1 0.513 109.6 35.1 -63.6 -7.1 -40.0 -74.1 -34.0 190 193 A I G <> S+ 0 0 7 -3,-2.1 4,-3.0 2,-0.1 -1,-0.3 0.136 79.1 125.5-130.5 18.6 -39.3 -76.3 -37.1 191 194 A F H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.865 74.2 47.0 -44.2 -54.4 -42.7 -78.2 -37.1 192 195 A A H > S+ 0 0 2 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.936 116.6 43.6 -58.2 -49.1 -43.6 -77.3 -40.7 193 196 A S H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 111.3 56.3 -65.5 -33.8 -40.2 -78.2 -42.1 194 197 A G H X>S+ 0 0 0 -4,-3.0 5,-2.3 2,-0.2 4,-0.9 0.906 107.3 47.4 -65.0 -42.7 -40.1 -81.4 -39.9 195 198 A L H ><5S+ 0 0 18 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.911 110.0 53.4 -65.1 -41.5 -43.4 -82.6 -41.4 196 199 A L H 3<5S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.879 107.6 52.0 -61.0 -36.7 -42.1 -81.9 -44.9 197 200 A A H 3<5S- 0 0 13 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.675 137.5 -75.2 -74.4 -18.4 -39.0 -84.0 -44.2 198 201 A G T <<5S+ 0 0 9 -4,-0.9 -3,-0.2 -3,-0.8 -15,-0.2 0.267 85.3 130.8 146.9 -20.8 -41.0 -86.9 -43.0 199 202 A A < - 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0 0 17 -4,-3.0 4,-2.1 -5,-0.2 5,-0.2 0.218 36.7-117.6 112.5 119.7 -37.9 -69.5 -19.9 248 251 A V H > S+ 0 0 48 2,-0.2 4,-2.5 -4,-0.2 5,-0.2 0.935 103.9 39.8 -58.0 -58.7 -40.2 -71.9 -21.8 249 252 A F H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 121.3 43.1 -60.9 -46.9 -42.0 -73.9 -19.0 250 253 A R H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.838 113.0 53.6 -69.0 -30.8 -42.5 -70.9 -16.8 251 254 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -8,-0.2 -1,-0.2 0.920 111.1 46.1 -67.7 -42.2 -43.5 -68.7 -19.7 252 255 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.909 112.3 50.2 -65.2 -43.5 -46.1 -71.2 -20.8 253 256 A K H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 9,-0.2 0.859 109.5 52.3 -63.7 -35.5 -47.4 -71.5 -17.2 254 257 A T H X S+ 0 0 7 -4,-2.0 4,-2.2 11,-0.2 -1,-0.2 0.917 110.3 46.8 -67.6 -43.9 -47.6 -67.7 -16.9 255 258 A V H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.957 113.6 48.8 -61.6 -47.5 -49.7 -67.5 -20.2 256 259 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 6,-1.1 0.816 108.6 55.0 -61.3 -31.2 -51.9 -70.3 -18.9 257 260 A H H ><5S+ 0 0 61 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.904 106.3 49.7 -69.1 -40.8 -52.2 -68.4 -15.6 258 261 A Y H 3<5S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.678 107.0 56.0 -71.9 -14.4 -53.4 -65.3 -17.4 259 262 A M T 3<5S- 0 0 21 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.278 118.0-117.9 -95.7 8.4 -55.9 -67.6 -19.2 260 263 A D T < 5S+ 0 0 139 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.697 89.4 106.9 61.9 25.1 -57.2 -68.6 -15.8 261 264 A V S - 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0 0 8 -5,-2.4 -1,-0.3 -6,-0.1 -15,-0.2 -0.339 36.9-162.0 -63.1 149.0 6.5 -84.4 -22.4 496 203 B D - 0 0 49 -17,-2.0 2,-0.3 -196,-0.1 -196,-0.2 0.151 69.2 -11.9-119.4 18.8 10.2 -83.9 -22.7 497 204 B G E - r 0 480D 1 -18,-0.8 -16,-2.6 -198,-0.1 2,-0.3 -0.959 68.0-129.7 175.0-166.9 10.2 -80.4 -24.1 498 205 B G E -kr 301 481D 0 -198,-2.2 -196,-3.1 -18,-0.3 2,-0.4 -0.991 7.2-145.9-167.6 161.3 7.9 -77.9 -25.7 499 206 B I E +k 302 0D 0 -18,-2.0 2,-0.3 -2,-0.3 -196,-0.2 -0.998 35.4 157.6-133.0 125.7 7.2 -75.5 -28.5 500 207 B G E > -k 303 0D 3 -198,-1.3 -196,-2.5 -2,-0.4 3,-0.6 -1.000 48.3-129.0-155.3 155.1 5.3 -72.2 -27.8 501 208 B S T > S+ 0 0 21 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.871 106.7 56.0 -66.4 -42.8 4.6 -68.7 -28.9 502 209 B T T >> S+ 0 0 6 1,-0.3 3,-1.4 2,-0.2 4,-1.3 0.590 83.4 84.5 -71.0 -8.8 5.4 -67.0 -25.6 503 210 B Y H <> S+ 0 0 0 -3,-0.6 4,-1.5 1,-0.3 -1,-0.3 0.772 76.8 73.7 -62.4 -23.8 8.9 -68.5 -25.6 504 211 B N H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.801 109.4 25.6 -59.5 -32.1 9.8 -65.5 -27.7 505 212 B I H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.566 141.7 16.0-110.8 -11.5 9.7 -63.1 -24.8 506 213 B M H >X + 0 0 0 -4,-1.3 3,-1.5 2,-0.0 4,-0.9 -0.036 68.5 140.8-154.2 41.7 10.4 -65.4 -21.8 507 214 B G H 3X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.3 3,-0.3 0.797 70.7 66.3 -57.4 -30.3 11.9 -68.6 -23.1 508 215 B W H 3> S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.789 93.9 59.0 -63.8 -28.3 14.3 -68.7 -20.1 509 216 B R H <> S+ 0 0 5 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.901 106.4 47.1 -67.1 -40.0 11.4 -69.2 -17.7 510 217 B Y H X S+ 0 0 0 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.871 111.0 51.3 -69.2 -35.2 10.4 -72.4 -19.5 511 218 B Q H X S+ 0 0 49 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.910 108.4 53.9 -65.4 -39.7 14.1 -73.5 -19.5 512 219 B G H X S+ 0 0 21 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.846 105.7 51.6 -62.4 -35.6 13.9 -72.8 -15.7 513 220 B I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.915 108.8 51.0 -68.0 -41.9 10.9 -75.0 -15.3 514 221 B V H X S+ 0 0 51 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.947 114.8 43.2 -58.5 -48.6 12.7 -77.8 -17.1 515 222 B K H X S+ 0 0 125 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 111.2 54.4 -63.8 -45.4 15.7 -77.4 -14.8 516 223 B A H <>S+ 0 0 2 -4,-2.8 5,-3.3 1,-0.2 4,-0.3 0.903 111.9 43.7 -56.9 -45.1 13.6 -77.0 -11.7 517 224 B L H ><5S+ 0 0 17 -4,-2.4 3,-1.2 3,-0.2 597,-0.2 0.897 110.5 55.1 -68.9 -39.6 11.7 -80.3 -12.3 518 225 B K H 3<5S+ 0 0 187 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.877 111.8 45.4 -59.7 -36.1 15.0 -82.1 -13.2 519 226 B E T 3<5S- 0 0 127 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.466 116.9-115.6 -86.2 -2.8 16.3 -80.9 -9.8 520 227 B G T < 5 + 0 0 18 -3,-1.2 2,-1.1 -4,-0.3 -3,-0.2 0.757 67.4 143.8 74.6 24.1 13.1 -82.0 -8.0 521 228 B D >< + 0 0 53 -5,-3.3 4,-1.7 -6,-0.2 3,-0.2 -0.677 17.8 170.7 -98.7 79.9 12.3 -78.4 -7.0 522 229 B I H > S+ 0 0 20 -2,-1.1 4,-2.6 587,-0.3 5,-0.2 0.882 72.4 57.6 -55.6 -45.2 8.5 -78.4 -7.4 523 230 B Q H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.912 107.5 46.0 -55.2 -47.7 8.1 -75.0 -5.7 524 231 B T H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 111.0 53.5 -65.3 -36.5 10.3 -73.2 -8.3 525 232 B A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.942 112.4 44.5 -63.2 -45.9 8.6 -75.0 -11.2 526 233 B Q H X S+ 0 0 66 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.916 111.6 52.1 -64.4 -45.4 5.2 -73.8 -9.9 527 234 B K H X S+ 0 0 140 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.909 112.8 45.8 -58.2 -43.0 6.3 -70.2 -9.2 528 235 B L H X S+ 0 0 41 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 112.2 49.9 -68.4 -40.1 7.7 -70.0 -12.8 529 236 B Q H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.917 110.0 52.4 -64.3 -41.0 4.6 -71.5 -14.3 530 237 B T H X S+ 0 0 39 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.901 108.8 49.1 -61.4 -41.7 2.5 -69.1 -12.4 531 238 B E H X S+ 0 0 62 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.894 111.7 49.7 -66.3 -37.1 4.5 -66.2 -13.7 532 239 B C H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.904 110.1 51.0 -66.3 -40.5 4.2 -67.5 -17.2 533 240 B N H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.812 103.1 57.6 -68.5 -30.2 0.4 -67.8 -16.8 534 241 B K H X S+ 0 0 102 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.911 111.9 44.0 -65.0 -38.4 -0.0 -64.3 -15.5 535 242 B V H X S+ 0 0 7 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.924 112.2 51.4 -69.6 -44.7 1.6 -63.2 -18.8 536 243 B I H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.875 104.5 57.7 -61.5 -36.9 -0.5 -65.6 -20.8 537 244 B D H X S+ 0 0 40 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.945 110.9 43.9 -56.3 -47.7 -3.7 -64.3 -19.1 538 245 B L H X S+ 0 0 18 -4,-1.5 4,-2.7 1,-0.2 3,-0.4 0.938 111.4 51.7 -63.2 -49.4 -2.7 -60.8 -20.5 539 246 B L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 8,-0.2 0.823 106.5 54.6 -59.9 -33.6 -1.7 -62.0 -24.0 540 247 B I H < S+ 0 0 90 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.872 111.1 46.2 -69.5 -34.1 -5.1 -63.8 -24.4 541 248 B K H < S+ 0 0 117 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.936 119.8 38.4 -71.4 -46.2 -6.9 -60.6 -23.5 542 249 B T H < S- 0 0 1 -4,-2.7 29,-0.3 1,-0.1 -2,-0.2 0.780 127.4 -91.1 -74.3 -26.9 -4.7 -58.4 -25.8 543 250 B G X - 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0 0 7 -5,-2.2 -1,-0.3 1,-0.1 -15,-0.2 -0.301 37.7-161.0 -61.4 149.1 -4.9 -78.8 -6.6 1088 203 D D - 0 0 46 -17,-2.0 -196,-0.3 -196,-0.1 2,-0.3 0.069 68.7 -14.9-119.9 23.6 -4.1 -79.7 -3.0 1089 204 D G E - k 01072I 1 -18,-0.7 -16,-2.7 -198,-0.2 2,-0.3 -0.973 68.1-123.2 169.4-166.8 -5.8 -83.0 -2.9 1090 205 D G E -dk 8931073I 0 -198,-2.3 -196,-3.0 -18,-0.3 2,-0.4 -0.997 7.0-149.1-164.9 162.1 -8.3 -85.2 -4.8 1091 206 D I E +d 894 0I 0 -18,-1.9 2,-0.3 -2,-0.3 -196,-0.2 -0.995 36.2 154.3-134.7 126.6 -11.5 -87.2 -4.9 1092 207 D G E > -d 895 0I 2 -198,-1.2 -196,-2.2 -2,-0.4 3,-0.6 -0.999 50.0-127.0-158.1 155.7 -11.7 -90.2 -7.2 1093 208 D S T > S+ 0 0 21 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.881 106.4 57.5 -66.7 -43.2 -13.3 -93.6 -7.9 1094 209 D T T >> S+ 0 0 5 1,-0.3 3,-1.5 2,-0.2 4,-1.3 0.631 83.7 83.0 -68.7 -10.9 -10.1 -95.6 -8.2 1095 210 D Y H <> S+ 0 0 0 -3,-0.6 4,-1.6 1,-0.3 -1,-0.3 0.734 76.6 73.9 -63.0 -21.6 -9.0 -94.6 -4.7 1096 211 D N H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 -200,-0.2 -2,-0.2 0.788 110.3 25.6 -62.3 -29.4 -11.2 -97.4 -3.5 1097 212 D I H <4 S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.575 141.6 15.2-112.8 -11.6 -8.7 -100.0 -4.7 1098 213 D M H >X + 0 0 0 -4,-1.3 3,-1.9 2,-0.0 4,-0.9 0.023 68.2 139.4-153.6 36.7 -5.4 -98.1 -4.7 1099 214 D G H 3X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.3 5,-0.2 0.803 70.3 68.1 -54.3 -30.9 -5.7 -94.9 -2.6 1100 215 D W H 3> S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.800 94.6 57.0 -61.2 -28.5 -2.3 -95.5 -1.1 1101 216 D R H <> S+ 0 0 4 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 106.2 47.9 -69.1 -42.5 -0.8 -94.8 -4.5 1102 217 D Y H X S+ 0 0 0 -4,-0.9 4,-2.1 1,-0.2 -2,-0.2 0.899 111.0 51.3 -65.3 -37.1 -2.4 -91.4 -4.8 1103 218 D Q H X S+ 0 0 46 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.874 107.9 54.3 -65.0 -35.0 -1.1 -90.7 -1.2 1104 219 D G H X S+ 0 0 9 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.860 105.8 51.3 -65.7 -36.2 2.3 -91.8 -2.5 1105 220 D I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.902 108.7 51.5 -66.8 -41.5 2.1 -89.2 -5.3 1106 221 D V H X S+ 0 0 33 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.949 113.9 44.1 -59.1 -49.0 1.2 -86.5 -2.8 1107 222 D K H X S+ 0 0 121 -4,-2.3 4,-2.0 2,-0.2 6,-0.2 0.928 111.5 53.4 -61.8 -48.4 4.2 -87.5 -0.7 1108 223 D A H <>S+ 0 0 2 -4,-2.9 5,-2.8 1,-0.2 3,-0.3 0.936 110.9 44.8 -53.8 -53.7 6.6 -87.8 -3.7 1109 224 D L H ><5S+ 0 0 15 -4,-2.4 3,-1.0 1,-0.2 -587,-0.3 0.865 110.9 55.0 -61.0 -36.4 5.8 -84.3 -5.0 1110 225 D K H 3<5S+ 0 0 168 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.856 111.7 44.0 -65.5 -33.7 6.1 -82.9 -1.5 1111 226 D E T 3<5S- 0 0 141 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.337 117.0-112.7 -92.3 5.3 9.6 -84.4 -1.2 1112 227 D G T < 5S+ 0 0 19 -3,-1.0 2,-1.4 -4,-0.3 -3,-0.2 0.682 70.3 142.4 72.4 17.6 10.6 -83.3 -4.7 1113 228 D D >< + 0 0 60 -5,-2.8 4,-1.9 -6,-0.2 -1,-0.2 -0.631 15.3 164.9 -93.2 78.8 10.8 -86.9 -5.9 1114 229 D I H > + 0 0 17 -2,-1.4 4,-2.7 -597,-0.2 5,-0.2 0.868 69.9 58.2 -62.7 -41.4 9.4 -86.4 -9.4 1115 230 D Q H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 109.5 45.1 -57.4 -43.5 10.5 -89.8 -10.8 1116 231 D T H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.899 110.6 54.2 -67.7 -39.8 8.5 -91.6 -8.1 1117 232 D A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.932 112.1 44.3 -59.2 -45.3 5.5 -89.3 -8.7 1118 233 D Q H X S+ 0 0 52 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.889 110.8 54.2 -66.4 -41.0 5.5 -90.2 -12.4 1119 234 D K H X S+ 0 0 116 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.936 111.9 44.2 -58.9 -48.6 6.0 -93.9 -11.7 1120 235 D L H X S+ 0 0 32 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.899 112.7 51.2 -65.2 -40.6 3.0 -94.0 -9.4 1121 236 D Q H X S+ 0 0 14 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.907 109.6 51.4 -63.7 -39.4 0.9 -92.0 -11.8 1122 237 D T H X S+ 0 0 40 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.897 109.1 49.6 -64.4 -40.7 1.8 -94.3 -14.6 1123 238 D E H X S+ 0 0 32 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.904 111.3 49.5 -65.8 -38.7 0.8 -97.4 -12.6 1124 239 D C H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.915 110.1 51.6 -64.3 -41.9 -2.5 -95.7 -11.8 1125 240 D N H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.814 102.6 57.5 -66.9 -29.9 -3.1 -94.9 -15.4 1126 241 D K H X S+ 0 0 102 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.912 112.1 43.8 -64.8 -39.1 -2.4 -98.5 -16.5 1127 242 D V H X S+ 0 0 9 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.908 111.5 52.1 -70.3 -42.9 -5.2 -99.5 -14.2 1128 243 D I H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.886 103.9 58.6 -62.8 -36.3 -7.5 -96.6 -15.3 1129 244 D D H X S+ 0 0 39 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.943 110.7 43.2 -55.0 -49.2 -6.9 -97.8 -19.0 1130 245 D L H X S+ 0 0 13 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.925 111.6 51.8 -62.9 -49.4 -8.4 -101.1 -18.0 1131 246 D L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 8,-0.2 0.846 106.5 54.7 -59.8 -35.2 -11.2 -99.8 -15.9 1132 247 D I H < S+ 0 0 91 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 111.5 45.6 -67.1 -35.3 -12.3 -97.5 -18.8 1133 248 D K H < S+ 0 0 112 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.918 120.2 38.9 -71.6 -42.5 -12.5 -100.6 -21.0 1134 249 D T H < S- 0 0 2 -4,-2.8 29,-0.3 -5,-0.1 -2,-0.2 0.800 126.6 -90.7 -77.5 -28.8 -14.3 -102.7 -18.5 1135 250 D G X - 0 0 16 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.200 36.1-118.6 114.1 119.4 -16.6 -100.0 -17.2 1136 251 D V H > S+ 0 0 48 2,-0.2 4,-2.4 -4,-0.2 5,-0.2 0.926 104.1 39.5 -57.8 -57.8 -15.2 -98.0 -14.2 1137 252 D F H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 122.8 41.0 -61.5 -48.1 -17.7 -98.7 -11.4 1138 253 D R H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 113.7 54.0 -68.6 -36.1 -18.3 -102.3 -12.2 1139 254 D G H X S+ 0 0 0 -4,-2.4 4,-2.0 -8,-0.2 -1,-0.2 0.923 111.9 45.5 -62.2 -42.5 -14.6 -102.9 -12.9 1140 255 D L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.916 112.1 50.4 -66.0 -44.6 -13.8 -101.4 -9.5 1141 256 D K H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 9,-0.2 0.863 109.3 52.9 -62.2 -35.7 -16.6 -103.5 -7.8 1142 257 D T H X S+ 0 0 5 -4,-2.3 4,-2.3 11,-0.2 -1,-0.2 0.936 109.4 47.4 -66.1 -46.0 -15.2 -106.6 -9.4 1143 258 D V H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.913 112.3 50.5 -60.2 -42.3 -11.7 -106.0 -8.1 1144 259 D L H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 6,-0.9 0.819 106.6 55.5 -66.5 -30.2 -13.1 -105.3 -4.7 1145 260 D H H ><5S+ 0 0 71 -4,-1.7 3,-2.1 4,-0.2 -1,-0.2 0.950 106.8 48.8 -66.1 -47.3 -15.1 -108.6 -4.9 1146 261 D Y H 3<5S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.689 106.7 57.9 -65.7 -17.0 -11.8 -110.5 -5.6 1147 262 D M T 3<5S- 0 0 15 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.289 119.8-112.9 -94.2 8.6 -10.3 -108.7 -2.6 1148 263 D D T < 5S+ 0 0 132 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.715 92.6 103.5 68.1 24.4 -13.1 -110.1 -0.4 1149 264 D V S - 0 0 22 -2,-0.2 3,-2.3 1,-0.1 -1,-0.0 -0.566 61.3 -67.1 -83.8 145.2 -27.7 -101.0 -11.3 1157 272 D K T 3 S+ 0 0 103 1,-0.4 -1075,-1.2 -2,-0.2 -1074,-0.4 -0.362 120.2 46.5 -59.7 149.3 -29.4 -101.3 -14.6 1158 273 D P T 3 S+ 0 0 4 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.986 102.9 85.4 -68.7 -0.2 -29.0 -99.8 -17.2 1159 274 D F S < S- 0 0 22 -3,-2.3 -4,-0.1 -1049,-0.1 -1049,-0.1 -0.475 73.5-149.3 -63.9 131.9 -25.4 -100.6 -16.3 1160 275 D G - 0 0 16 -2,-0.2 -5,-0.2 1,-0.2 -22,-0.1 -0.326 23.1 -83.8 -93.9-178.8 -24.7 -104.1 -17.6 1161 276 D P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.293 53.4 -83.7 -80.3 170.2 -22.2 -106.7 -16.2 1162 277 D V - 0 0 18 -24,-0.1 2,-0.3 1,-0.1 -27,-0.1 -0.512 50.3-105.0 -73.2 139.9 -18.5 -106.8 -16.9 1163 278 D D > - 0 0 85 -29,-0.3 3,-2.5 -2,-0.2 4,-0.4 -0.510 25.7-127.5 -68.3 128.4 -17.6 -108.6 -20.1 1164 279 D E G > S+ 0 0 145 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.778 103.2 70.4 -45.3 -35.6 -16.2 -112.1 -19.2 1165 280 D K G 3 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.693 95.4 53.9 -61.2 -18.5 -13.1 -111.4 -21.3 1166 281 D Y G <> S+ 0 0 39 -3,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.540 82.1 89.3 -93.8 -8.0 -11.8 -108.8 -18.8 1167 282 D L H <> S+ 0 0 37 -3,-1.6 4,-3.0 -4,-0.4 5,-0.3 0.880 81.2 57.0 -59.5 -40.8 -12.0 -111.1 -15.7 1168 283 D P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.926 111.8 43.1 -57.8 -42.1 -8.4 -112.5 -16.1 1169 284 D E H > S+ 0 0 90 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.888 114.5 49.6 -69.9 -39.7 -7.0 -109.0 -16.0 1170 285 D L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 112.7 47.3 -67.0 -39.3 -9.2 -107.8 -13.1 1171 286 D K H X S+ 0 0 119 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.937 112.1 50.0 -66.2 -45.1 -8.3 -110.9 -11.1 1172 287 D A H X S+ 0 0 58 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.901 110.7 50.8 -59.3 -40.3 -4.7 -110.4 -11.8 1173 288 D L H X S+ 0 0 8 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.936 109.6 49.0 -63.3 -46.8 -5.0 -106.7 -10.7 1174 289 D A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.940 111.9 49.5 -57.5 -47.8 -6.8 -107.7 -7.4 1175 290 D Q H X S+ 0 0 103 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.920 112.4 48.3 -57.0 -45.6 -4.0 -110.2 -6.7 1176 291 D Q H X S+ 0 0 81 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.901 110.6 49.5 -63.5 -44.2 -1.4 -107.6 -7.4 1177 292 D L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.851 110.6 50.3 -65.9 -35.3 -2.9 -104.9 -5.3 1178 293 D M H < S+ 0 0 78 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.9 46.7 -69.7 -38.1 -3.3 -107.3 -2.3 1179 294 D Q H < S+ 0 0 138 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.944 114.2 47.8 -66.0 -48.9 0.4 -108.3 -2.7 1180 295 D E H < 0 0 88 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.936 360.0 360.0 -56.7 -52.9 1.5 -104.7 -3.0 1181 296 D R < 0 0 108 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.977 360.0 360.0 -74.0 360.0 -0.6 -103.5 0.0