==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-MAY-10 2XFW . COMPND 2 MOLECULE: N-ACETYLNEURAMINIC ACID LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.CAMPEOTTO,G.N.MURSHUDOV,A.H.BOLT,C.H.TRINH,S.E.V.PHILLIPS, . 1195 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 915 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 12.4 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 . 79 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 492 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 4 8 8 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 -1 A H > 0 0 63 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -40.3 3.8 29.5 50.7 2 0 A H G > + 0 0 143 1,-0.2 3,-1.2 2,-0.2 162,-0.0 0.868 360.0 54.9 -47.3 -44.4 5.9 32.6 51.4 3 1 A H G > S+ 0 0 181 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.815 103.4 54.4 -65.8 -31.1 5.7 32.0 55.1 4 2 A A G X + 0 0 9 -3,-0.7 3,-2.9 1,-0.2 -1,-0.2 0.365 69.9 115.7 -88.3 5.0 7.2 28.4 54.9 5 3 A T G X + 0 0 54 -3,-1.2 3,-1.8 -4,-0.3 -1,-0.2 0.735 64.3 69.7 -41.5 -35.5 10.3 29.6 52.9 6 4 A N G < S+ 0 0 82 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.593 86.7 67.9 -63.5 -14.7 12.5 28.4 55.9 7 5 A L G < S+ 0 0 1 -3,-2.9 -1,-0.3 157,-0.1 -2,-0.2 0.490 74.7 116.2 -82.5 -6.7 11.6 24.8 55.0 8 6 A R < + 0 0 125 -3,-1.8 2,-0.3 -4,-0.2 198,-0.1 -0.403 48.3 63.9 -65.4 138.3 13.6 25.0 51.7 9 7 A G S S- 0 0 9 -2,-0.1 198,-1.9 2,-0.1 2,-0.6 -0.945 85.0 -45.9 148.9-166.9 16.6 22.7 51.4 10 8 A V E +a 207 0A 3 -2,-0.3 32,-2.0 196,-0.2 33,-0.7 -0.924 53.4 180.0-107.3 114.1 18.1 19.2 51.2 11 9 A M E -ab 208 43A 1 196,-2.8 198,-1.4 -2,-0.6 33,-0.2 -0.964 24.3-129.0-125.7 125.4 16.7 16.9 53.9 12 10 A A E -ab 209 44A 0 31,-1.7 33,-2.9 -2,-0.4 2,-1.1 -0.510 17.9-129.2 -73.2 135.2 17.6 13.3 54.5 13 11 A A E - b 0 45A 0 196,-2.3 200,-0.2 -2,-0.2 33,-0.2 -0.758 40.5-128.1 -80.4 100.2 14.7 10.9 54.8 14 12 A L - 0 0 1 31,-2.0 33,-0.4 -2,-1.1 34,-0.4 -0.275 12.4-135.1 -63.6 133.0 15.8 9.3 58.1 15 13 A L - 0 0 1 195,-0.1 36,-0.2 36,-0.1 -1,-0.1 -0.582 14.8-132.0 -78.2 148.3 16.2 5.5 58.4 16 14 A T - 0 0 2 34,-0.5 2,-0.1 -2,-0.2 10,-0.1 -0.896 23.0-139.1-102.5 107.7 14.8 3.9 61.5 17 15 A P - 0 0 2 0, 0.0 8,-2.4 0, 0.0 2,-0.3 -0.422 22.0-174.8 -69.6 142.5 17.4 1.5 63.0 18 16 A F B -I 24 0B 0 253,-0.6 253,-0.4 251,-0.5 251,-0.3 -0.845 15.9-129.9-125.9 161.7 16.3 -1.8 64.4 19 17 A D > - 0 0 37 4,-2.3 3,-2.2 -2,-0.3 6,-0.1 -0.448 41.5 -85.7-102.1-177.0 18.1 -4.6 66.2 20 18 A Q T 3 S+ 0 0 119 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.694 130.5 53.7 -67.0 -18.6 18.2 -8.4 65.5 21 19 A Q T 3 S- 0 0 146 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.327 119.9-113.2 -93.0 7.5 14.9 -8.9 67.6 22 20 A Q S < S+ 0 0 40 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.479 73.1 138.3 69.9 11.5 13.4 -6.2 65.3 23 21 A A - 0 0 43 1,-0.1 -4,-2.3 -5,-0.1 -1,-0.3 -0.404 66.8 -83.9 -74.6 159.5 13.1 -3.8 68.2 24 22 A L B -I 18 0B 28 -6,-0.2 2,-0.8 -3,-0.1 -6,-0.3 -0.373 34.1-145.6 -57.8 135.3 13.9 -0.1 67.8 25 23 A D > + 0 0 21 -8,-2.4 4,-1.8 1,-0.2 5,-0.1 -0.848 22.6 176.6-104.4 92.2 17.6 0.6 68.2 26 24 A K H > S+ 0 0 87 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.828 75.0 56.5 -70.2 -33.7 17.5 4.0 69.9 27 25 A A H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 110.2 45.0 -63.0 -44.0 21.3 4.3 70.3 28 26 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.837 109.0 57.6 -68.6 -35.4 21.8 3.8 66.6 29 27 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.949 108.7 45.4 -55.7 -49.2 19.0 6.3 65.9 30 28 A R H X S+ 0 0 82 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 113.2 50.9 -61.6 -41.8 20.8 9.0 67.9 31 29 A R H X S+ 0 0 102 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.893 111.1 48.1 -62.6 -41.5 24.1 8.1 66.1 32 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.864 109.4 52.7 -69.8 -37.7 22.5 8.4 62.7 33 31 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.951 113.3 44.0 -60.0 -47.2 20.9 11.7 63.6 34 32 A Q H X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.863 110.4 55.3 -68.9 -34.1 24.3 13.1 64.6 35 33 A F H X S+ 0 0 46 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.917 109.2 47.8 -63.1 -42.2 25.9 11.5 61.5 36 34 A N H ><>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 3,-0.6 0.935 110.3 51.2 -64.5 -46.4 23.4 13.4 59.3 37 35 A I H ><5S+ 0 0 38 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.925 108.4 52.5 -54.8 -46.2 24.0 16.7 61.2 38 36 A Q H 3<5S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.729 100.2 61.8 -66.7 -22.7 27.8 16.3 60.7 39 37 A Q T <<5S- 0 0 4 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.556 118.8-111.7 -73.9 -11.3 27.4 15.8 56.9 40 38 A G T < 5 + 0 0 37 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.707 55.0 170.5 84.7 22.7 25.9 19.3 56.8 41 39 A I < - 0 0 5 -5,-1.6 -1,-0.2 1,-0.1 -30,-0.2 -0.303 36.0-135.7 -60.1 148.0 22.3 18.2 56.0 42 40 A D S S- 0 0 65 -32,-2.0 35,-2.2 1,-0.2 2,-0.3 0.710 72.4 -35.6 -77.7 -21.7 19.7 21.0 56.2 43 41 A G E -bc 11 77A 0 -33,-0.7 -31,-1.7 33,-0.3 2,-0.4 -0.980 57.4-101.8 177.5 177.3 17.2 18.8 58.0 44 42 A L E -bc 12 78A 0 33,-2.3 35,-2.6 -2,-0.3 2,-0.6 -0.985 10.5-151.4-130.2 141.7 15.6 15.4 58.6 45 43 A Y E -bc 13 79A 0 -33,-2.9 -31,-2.0 -2,-0.4 3,-0.5 -0.960 30.8-155.4-112.2 110.6 12.3 13.9 57.4 46 44 A V E + c 0 80A 0 33,-2.9 35,-2.9 -2,-0.6 -31,-0.1 -0.747 58.8 5.1-105.9 135.7 11.4 11.4 60.1 47 45 A G S S+ 0 0 6 -33,-0.4 -1,-0.2 -2,-0.4 -32,-0.1 0.829 89.1 138.1 68.6 33.3 9.2 8.3 60.0 48 46 A G S >S- 0 0 1 -3,-0.5 5,-1.9 -34,-0.4 6,-0.2 0.023 76.9 -71.1 -86.0-161.5 8.6 8.5 56.2 49 47 A S T > 5S+ 0 0 3 1,-0.2 3,-2.0 2,-0.2 5,-0.1 0.948 139.2 49.5 -57.7 -49.5 8.6 5.7 53.7 50 48 A T T 3 5S+ 0 0 5 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.804 104.6 60.4 -60.2 -31.5 12.4 5.4 54.1 51 49 A G T 3 5S- 0 0 0 -36,-0.2 -1,-0.3 -6,-0.1 -2,-0.2 0.350 113.4-118.3 -79.8 7.8 11.8 5.4 57.8 52 50 A E T X 5 + 0 0 0 -3,-2.0 3,-1.6 1,-0.1 -3,-0.2 0.835 54.2 162.7 58.6 37.3 9.8 2.2 57.6 53 51 A A G > < + 0 0 1 -5,-1.9 3,-1.7 1,-0.2 -4,-0.1 0.862 64.3 59.4 -48.1 -45.0 6.7 4.0 59.0 54 52 A F G 3 S+ 0 0 24 1,-0.3 931,-0.4 -6,-0.2 930,-0.3 0.422 102.8 50.6 -83.6 3.8 4.3 1.4 57.8 55 53 A V G < S+ 0 0 0 -3,-1.6 2,-0.3 929,-0.1 -1,-0.3 0.062 101.6 79.7-117.1 21.5 5.8 -1.5 59.7 56 54 A Q S < S- 0 0 13 -3,-1.7 2,-0.1 217,-0.0 929,-0.1 -0.913 77.3-120.0-122.1 153.8 5.8 0.4 63.0 57 55 A S > - 0 0 42 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.401 33.8-105.9 -78.4 166.2 3.1 1.2 65.6 58 56 A L H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 122.0 54.4 -57.4 -43.2 2.1 4.7 66.5 59 57 A S H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 109.3 47.0 -57.7 -44.2 4.0 4.4 69.8 60 58 A E H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 111.4 50.6 -65.7 -45.4 7.2 3.4 68.0 61 59 A R H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.922 111.6 49.3 -58.5 -42.5 6.8 6.2 65.5 62 60 A E H X S+ 0 0 30 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.900 107.7 53.2 -62.7 -43.2 6.3 8.6 68.5 63 61 A Q H X S+ 0 0 55 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.913 111.6 46.4 -59.8 -42.0 9.4 7.3 70.3 64 62 A V H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.933 112.2 49.8 -65.1 -47.0 11.5 7.9 67.2 65 63 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 111.3 49.8 -55.9 -46.6 10.1 11.4 66.7 66 64 A E H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.910 111.7 47.2 -62.3 -45.5 10.7 12.3 70.3 67 65 A I H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.904 110.1 52.5 -63.8 -44.4 14.4 11.1 70.2 68 66 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.918 110.0 48.6 -60.3 -41.0 15.1 12.9 66.9 69 67 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.913 109.3 53.4 -64.0 -41.5 13.8 16.1 68.4 70 68 A E H < S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.909 117.3 38.0 -55.2 -44.8 15.9 15.6 71.6 71 69 A E H < S+ 0 0 37 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.745 133.5 17.5 -77.4 -30.9 19.0 15.2 69.4 72 70 A A H >X S+ 0 0 0 -4,-2.1 3,-2.4 -5,-0.2 4,-1.4 0.551 76.0 130.0-128.3 -14.3 18.4 17.7 66.7 73 71 A K T 3< S+ 0 0 121 -4,-2.4 4,-0.1 -5,-0.3 29,-0.1 -0.264 87.3 10.9 -54.8 132.8 15.8 20.4 67.6 74 72 A G T 34 S+ 0 0 78 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.228 118.6 73.8 83.3 -11.9 17.2 23.9 67.0 75 73 A K T <4 S- 0 0 132 -3,-2.4 2,-0.3 1,-0.4 -2,-0.2 0.782 109.9 -1.1-100.3 -39.6 20.2 22.6 65.0 76 74 A I S < S- 0 0 21 -4,-1.4 -2,-0.4 -32,-0.0 -1,-0.4 -0.921 90.3 -79.5-142.6 167.3 18.6 21.5 61.8 77 75 A K E -c 43 0A 64 -35,-2.2 -33,-2.3 -2,-0.3 2,-0.5 -0.458 41.2-153.7 -73.5 145.2 15.0 21.5 60.4 78 76 A L E -c 44 0A 0 -35,-0.2 25,-2.0 -2,-0.1 26,-1.3 -0.976 12.2-176.5-128.2 119.2 12.7 18.7 61.5 79 77 A I E -cd 45 104A 1 -35,-2.6 -33,-2.9 -2,-0.5 2,-0.7 -0.969 15.4-148.8-116.5 125.1 9.8 17.4 59.5 80 78 A A E -cd 46 105A 0 24,-2.5 26,-2.1 -2,-0.5 2,-1.0 -0.846 5.0-148.1 -96.3 113.7 7.6 14.7 61.0 81 79 A H E + d 0 106A 1 -35,-2.9 26,-0.2 -2,-0.7 24,-0.1 -0.742 28.8 165.9 -79.1 108.1 6.0 12.2 58.6 82 80 A V + 0 0 0 24,-3.0 11,-0.3 -2,-1.0 12,-0.2 0.358 22.5 135.8-105.1 2.7 2.8 11.5 60.5 83 81 A G + 0 0 0 23,-0.8 2,-0.3 10,-0.1 4,-0.1 -0.265 18.0 156.8 -70.5 138.0 0.9 9.9 57.7 84 82 A C - 0 0 5 2,-0.3 6,-0.1 24,-0.2 870,-0.1 -0.862 55.2-107.0-136.8 172.1 -1.2 6.7 58.1 85 83 A V S S+ 0 0 11 -2,-0.3 2,-0.2 868,-0.3 869,-0.1 0.967 107.1 71.6 -65.4 -48.5 -4.1 5.3 56.2 86 84 A S S > S- 0 0 2 867,-0.4 4,-1.8 1,-0.1 -2,-0.3 -0.443 74.1-150.8 -65.9 129.8 -6.3 6.3 59.2 87 85 A T H > S+ 0 0 4 1086,-1.3 4,-2.7 -2,-0.2 5,-0.2 0.934 97.8 53.8 -62.5 -44.8 -6.9 10.1 59.6 88 86 A A H > S+ 0 0 42 1085,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.884 108.9 47.6 -61.5 -40.9 -7.2 9.7 63.4 89 87 A E H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 111.5 51.1 -64.5 -41.5 -3.9 7.9 63.7 90 88 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.891 107.9 53.2 -61.9 -42.4 -2.3 10.5 61.6 91 89 A Q H X S+ 0 0 55 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.880 105.5 53.8 -58.7 -40.6 -3.8 13.2 63.8 92 90 A Q H X S+ 0 0 92 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.934 110.8 46.1 -63.0 -46.3 -2.3 11.5 66.9 93 91 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -11,-0.3 -2,-0.2 0.890 111.0 52.8 -62.9 -38.0 1.2 11.6 65.3 94 92 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 109.1 49.1 -62.6 -46.9 0.7 15.3 64.3 95 93 A A H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.895 111.9 49.9 -57.3 -41.8 -0.2 16.3 67.8 96 94 A S H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 107.3 53.0 -64.1 -45.6 2.9 14.4 69.1 97 95 A A H X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.5 0.872 109.5 50.1 -56.4 -39.7 5.1 16.1 66.6 98 96 A K H ><5S+ 0 0 83 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.937 109.5 50.4 -63.3 -47.7 3.8 19.5 67.8 99 97 A R H 3<5S+ 0 0 159 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.868 110.7 50.1 -57.9 -38.7 4.5 18.5 71.5 100 98 A Y H 3<5S- 0 0 42 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.533 118.4-110.4 -81.3 -7.4 8.1 17.5 70.5 101 99 A G T <<5 + 0 0 14 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.798 52.0 170.4 83.8 31.5 8.8 20.8 68.7 102 100 A F < - 0 0 9 -5,-2.6 -1,-0.2 1,-0.1 -23,-0.2 -0.336 35.8-135.3 -65.0 155.7 9.0 19.7 65.1 103 101 A D S S- 0 0 53 -25,-2.0 2,-0.3 1,-0.2 -24,-0.2 0.723 79.4 -4.7 -83.8 -26.3 9.1 22.4 62.5 104 102 A A E -d 79 0A 0 -26,-1.3 -24,-2.5 30,-0.2 2,-0.3 -0.979 60.3-131.5-158.4 162.7 6.6 20.8 60.2 105 103 A V E -de 80 136A 0 30,-2.9 32,-2.4 -2,-0.3 2,-0.3 -0.810 18.5-166.2-115.1 164.5 4.4 17.7 59.6 106 104 A S E -de 81 137A 0 -26,-2.1 -24,-3.0 -2,-0.3 -23,-0.8 -0.990 4.1-167.9-146.9 150.1 3.9 15.6 56.5 107 105 A A E - e 0 138A 0 30,-1.3 32,-1.7 -2,-0.3 2,-0.1 -0.961 19.2-133.4-146.5 126.4 1.5 12.9 55.3 108 106 A V E - e 0 139A 0 -2,-0.3 32,-0.2 30,-0.2 -24,-0.2 -0.388 48.1 -90.2 -62.3 148.0 1.5 10.5 52.4 109 107 A T - 0 0 0 30,-1.4 38,-0.1 1,-0.1 -1,-0.1 -0.498 59.2 -98.2 -58.9 127.7 -1.7 10.4 50.4 110 108 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 -25,-0.1 -0.273 52.9-161.8 -61.6 141.5 -3.6 7.6 52.3 111 109 A F + 0 0 8 3,-0.1 2,-1.9 -3,-0.1 35,-0.1 -0.335 49.9 43.8-119.7-174.7 -3.3 4.3 50.5 112 110 A Y S S+ 0 0 15 33,-0.5 933,-0.1 931,-0.2 -1,-0.0 -0.534 103.7 61.1 71.1 -72.2 -4.8 0.8 50.0 113 111 A Y S S- 0 0 7 -2,-1.9 2,-0.3 1,-0.1 930,-0.0 -0.635 94.2-114.7 -80.3 136.4 -8.5 1.9 49.9 114 112 A P - 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0 0 8 -5,-2.5 -1,-0.3 -6,-0.1 -15,-0.2 -0.351 37.1-159.7 -62.0 150.2 -14.1 -21.5 42.6 1104 203 D D - 0 0 34 -17,-2.1 2,-0.3 -196,-0.1 -16,-0.2 0.205 67.8 -15.0-118.9 13.7 -16.0 -23.7 45.2 1105 204 D G E - i 01088G 0 -18,-0.9 -16,-2.6 -198,-0.1 2,-0.3 -0.937 68.7-123.0 175.9-166.1 -17.2 -20.9 47.4 1106 205 D G E -bi 9091089G 0 -198,-1.8 -196,-2.8 -18,-0.3 2,-0.4 -0.991 7.1-145.6-159.8 161.1 -16.7 -17.2 48.1 1107 206 D I E +b 910 0G 0 -18,-1.9 2,-0.3 -2,-0.3 -196,-0.2 -0.996 38.4 163.8-128.9 128.8 -15.9 -14.5 50.5 1108 207 D G E > -b 911 0G 0 -198,-1.4 -196,-2.3 -2,-0.4 3,-0.6 -0.998 47.4-137.4-154.3 145.3 -17.7 -11.2 49.9 1109 208 D S T > S+ 0 0 15 -2,-0.3 3,-1.3 -19,-0.3 4,-0.2 0.867 104.8 56.2 -65.8 -38.9 -18.7 -7.9 51.4 1110 209 D T T >> S+ 0 0 3 1,-0.3 3,-1.6 2,-0.2 4,-1.3 0.640 84.6 82.1 -76.9 -8.8 -22.2 -7.9 50.0 1111 210 D Y H <> S+ 0 0 0 -3,-0.6 4,-1.6 1,-0.3 -1,-0.3 0.730 77.2 73.0 -65.9 -23.6 -23.0 -11.3 51.7 1112 211 D N H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.780 111.8 25.7 -57.4 -29.9 -23.7 -9.3 54.8 1113 212 D I H <4 S+ 0 0 0 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.588 143.5 11.9-110.7 -15.9 -27.0 -8.0 53.2 1114 213 D M H >X + 0 0 0 -4,-1.3 3,-2.0 2,-0.0 4,-0.7 0.014 69.6 141.4-156.4 37.6 -27.9 -10.7 50.7 1115 214 D G H >X + 0 0 0 -4,-1.6 4,-1.9 1,-0.3 3,-0.5 0.789 69.2 68.1 -60.0 -30.4 -25.7 -13.8 51.3 1116 215 D W H 3> S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.755 92.7 60.6 -60.1 -26.8 -28.6 -16.2 50.6 1117 216 D R H <> S+ 0 0 3 -3,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.881 105.3 46.3 -68.8 -39.0 -28.5 -15.0 47.0 1118 217 D Y H S+ 0 0 4 -4,-2.7 5,-2.9 1,-0.2 4,-0.4 0.902 112.4 47.4 -54.0 -46.7 -28.7 -23.4 41.1 1125 224 D L H ><5S+ 0 0 9 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.923 109.2 54.0 -65.6 -41.3 -25.3 -24.3 39.5 1126 225 D K H 3<5S+ 0 0 172 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.859 112.4 45.1 -56.0 -36.6 -25.1 -27.6 41.4 1127 226 D E T 3<5S- 0 0 117 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.402 115.7-113.1 -88.3 -0.8 -28.6 -28.5 40.0 1128 227 D G T < 5 + 0 0 18 -3,-1.4 2,-1.4 -4,-0.4 -3,-0.2 0.698 69.7 143.2 72.2 19.9 -27.8 -27.3 36.4 1129 228 D D >< + 0 0 60 -5,-2.9 4,-1.8 -6,-0.2 -1,-0.2 -0.648 16.3 166.6 -93.8 81.5 -30.3 -24.5 36.7 1130 229 D I H > + 0 0 18 -2,-1.4 4,-2.9 -604,-0.2 -1,-0.2 0.883 69.5 57.1 -66.3 -42.0 -28.4 -21.9 34.7 1131 230 D Q H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.881 108.0 46.7 -56.9 -45.5 -31.3 -19.5 34.4 1132 231 D T H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 111.6 51.2 -66.2 -41.9 -31.8 -19.2 38.1 1133 232 D A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.945 113.3 45.9 -58.8 -47.7 -28.0 -18.7 38.7 1134 233 D Q H X S+ 0 0 52 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.916 111.2 51.4 -62.3 -45.4 -28.0 -16.0 36.0 1135 234 D K H X S+ 0 0 133 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.915 111.8 47.8 -56.8 -43.5 -31.1 -14.2 37.4 1136 235 D L H X S+ 0 0 37 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.920 111.4 49.3 -66.4 -44.5 -29.6 -14.2 40.9 1137 236 D Q H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.912 109.8 52.6 -63.1 -41.5 -26.2 -12.8 39.7 1138 237 D T H X S+ 0 0 41 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.921 110.1 47.8 -57.0 -44.9 -28.1 -10.1 37.8 1139 238 D E H X S+ 0 0 36 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.920 111.8 50.3 -65.1 -42.3 -30.0 -9.1 40.9 1140 239 D C H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 110.6 50.1 -57.4 -43.8 -26.7 -9.1 42.9 1141 240 D N H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.822 103.9 57.6 -69.0 -32.0 -25.1 -6.9 40.3 1142 241 D K H X S+ 0 0 94 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.901 111.9 43.5 -59.1 -39.7 -28.0 -4.5 40.3 1143 242 D V H X S+ 0 0 7 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.922 112.1 52.2 -70.6 -44.7 -27.3 -4.0 44.0 1144 243 D I H X S+ 0 0 10 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.876 103.0 58.9 -62.9 -38.3 -23.5 -3.9 43.5 1145 244 D D H X S+ 0 0 41 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.947 110.2 44.0 -51.8 -49.6 -23.9 -1.1 40.8 1146 245 D L H X S+ 0 0 22 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.930 112.3 50.7 -62.2 -45.9 -25.6 0.9 43.5 1147 246 D L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 8,-0.2 0.861 108.1 52.8 -63.2 -36.0 -23.1 0.1 46.2 1148 247 D I H < S+ 0 0 90 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.897 110.3 49.1 -65.5 -40.4 -20.2 1.1 43.9 1149 248 D K H < S+ 0 0 106 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.920 120.1 35.9 -60.5 -44.9 -22.0 4.5 43.3 1150 249 D T H < S- 0 0 1 -4,-2.3 29,-0.3 -5,-0.1 -2,-0.2 0.721 127.3 -89.7 -82.5 -18.7 -22.5 5.1 47.1 1151 250 D G X - 0 0 18 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.249 37.3-118.6 96.2 123.3 -19.2 3.5 48.3 1152 251 D V H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.941 103.4 40.7 -67.3 -54.2 -19.4 -0.2 49.0 1153 252 D F H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 121.6 42.0 -65.0 -44.8 -18.6 -0.5 52.8 1154 253 D R H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 113.3 53.7 -70.6 -35.7 -20.6 2.5 53.8 1155 254 D G H X S+ 0 0 0 -4,-2.2 4,-2.7 -8,-0.2 -2,-0.2 0.929 110.7 47.1 -60.7 -44.8 -23.5 1.6 51.5 1156 255 D L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.907 111.8 49.5 -62.2 -44.2 -23.6 -1.8 53.1 1157 256 D K H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 9,-0.2 0.875 110.2 52.6 -62.6 -37.0 -23.5 -0.3 56.6 1158 257 D T H X S+ 0 0 5 -4,-2.4 4,-2.3 11,-0.2 -2,-0.2 0.933 108.5 48.5 -66.4 -47.4 -26.3 2.1 55.6 1159 258 D V H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.949 112.1 49.8 -53.2 -47.9 -28.5 -0.8 54.4 1160 259 D L H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 6,-0.9 0.819 107.4 54.8 -64.1 -32.0 -27.8 -2.7 57.6 1161 260 D H H ><5S+ 0 0 66 -4,-2.0 3,-1.8 4,-0.2 -1,-0.2 0.928 107.9 48.1 -62.8 -48.1 -28.7 0.5 59.6 1162 261 D Y H 3<5S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.688 107.0 58.2 -68.1 -18.6 -32.1 0.6 57.8 1163 262 D M T 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.269 119.2-114.3 -86.8 6.5 -32.4 -3.1 58.6 1164 263 D D T < 5S+ 0 0 140 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.759 91.8 102.9 65.8 29.5 -32.1 -2.2 62.4 1165 264 D V S - 0 0 16 -2,-0.2 3,-2.1 1,-0.1 -1,-0.1 -0.514 62.3 -59.8 -81.9 149.8 -13.6 5.4 59.6 1173 272 D K T 3 S+ 0 0 81 1,-0.3 -1086,-1.3 -2,-0.2 -1085,-0.4 -0.405 120.4 44.1 -61.1 139.0 -11.9 8.5 58.2 1174 273 D P T 3 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.962 102.7 83.6 -88.4 6.0 -10.7 9.2 55.6 1175 274 D F S < S- 0 0 21 -3,-2.1 -1060,-0.1 -1060,-0.1 -4,-0.0 -0.517 74.2-148.5 -57.6 131.7 -13.9 7.5 54.3 1176 275 D G - 0 0 11 -2,-0.2 -5,-0.2 1,-0.2 3,-0.1 -0.411 24.6 -81.9 -90.3 178.4 -16.6 10.1 54.4 1177 276 D P - 0 0 84 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.271 56.5 -82.1 -74.0 165.1 -20.3 9.6 54.9 1178 277 D V - 0 0 16 -9,-0.1 2,-0.2 -24,-0.1 -27,-0.1 -0.490 53.6-101.0 -63.6 137.3 -22.7 8.4 52.2 1179 278 D D > - 0 0 84 -29,-0.3 3,-2.2 1,-0.2 4,-0.3 -0.447 29.4-129.5 -59.3 128.0 -23.9 11.3 50.0 1180 279 D E G > S+ 0 0 156 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.777 102.8 71.4 -56.1 -27.5 -27.3 12.2 51.3 1181 280 D K G 3 S+ 0 0 134 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.731 97.0 51.4 -60.9 -22.3 -28.7 12.0 47.7 1182 281 D Y G <> S+ 0 0 44 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.510 82.5 92.3 -91.5 -5.5 -28.3 8.2 47.8 1183 282 D L H <> S+ 0 0 51 -3,-1.5 4,-2.8 -4,-0.3 5,-0.3 0.914 81.6 54.2 -63.6 -41.7 -30.1 7.6 51.1 1184 283 D P H > S+ 0 0 91 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.925 110.2 47.2 -57.2 -43.4 -33.6 7.0 49.5 1185 284 D E H > S+ 0 0 83 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.885 113.1 49.1 -61.9 -40.2 -32.1 4.3 47.2 1186 285 D L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 111.8 47.7 -68.0 -39.8 -30.3 2.6 50.1 1187 286 D K H X S+ 0 0 102 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.932 111.1 51.5 -65.8 -44.4 -33.4 2.6 52.3 1188 287 D A H X S+ 0 0 50 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.888 110.0 50.2 -57.1 -40.8 -35.5 1.2 49.4 1189 288 D L H X S+ 0 0 9 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.912 108.3 51.4 -64.5 -43.5 -32.9 -1.6 49.0 1190 289 D A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.949 112.6 47.3 -57.8 -46.5 -33.0 -2.4 52.7 1191 290 D Q H X S+ 0 0 106 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 111.8 49.8 -62.7 -43.2 -36.8 -2.6 52.5 1192 291 D Q H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.929 113.9 45.0 -59.1 -49.1 -36.6 -4.8 49.3 1193 292 D L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.859 110.9 52.8 -67.9 -36.8 -34.1 -7.2 50.9 1194 293 D M H X S+ 0 0 64 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.920 111.4 47.5 -62.2 -43.0 -36.1 -7.4 54.2 1195 294 D Q H < S+ 0 0 164 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 113.7 48.4 -63.2 -40.9 -39.2 -8.3 52.2 1196 295 D E H < S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.862 113.1 45.0 -68.2 -39.0 -37.2 -10.9 50.2 1197 296 D R H < 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 360.0 360.0 -80.9 -26.2 -35.6 -12.6 53.2 1198 297 D G < 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.193 360.0 360.0 67.0 360.0 -38.8 -12.7 55.2