==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-NOV-01 1KAG . COMPND 2 MOLECULE: SHIKIMATE KINASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.ROMANOWSKI,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER FOR . 307 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 2 0 0 0 2 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 3 A E 0 0 220 0, 0.0 159,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.0 31.0 16.5 -14.0 2 4 A K + 0 0 134 2,-0.0 71,-0.4 26,-0.0 72,-0.1 0.653 360.0 129.2 -78.8 -17.6 31.6 14.3 -10.9 3 5 A R - 0 0 119 70,-0.1 93,-0.1 1,-0.1 69,-0.1 0.025 67.8 -99.4 -41.5 140.3 31.4 17.5 -8.8 4 6 A N - 0 0 10 91,-0.4 93,-2.8 67,-0.1 2,-0.5 -0.280 28.7-150.4 -64.8 147.6 29.0 17.3 -5.8 5 7 A I E -ab 75 97A 6 69,-2.2 71,-2.7 91,-0.2 2,-0.5 -0.984 10.6-167.3-123.1 118.0 25.5 18.8 -6.1 6 8 A F E -ab 76 98A 0 91,-2.6 93,-3.2 -2,-0.5 2,-0.5 -0.928 7.0-153.1-110.1 122.5 24.0 20.2 -2.8 7 9 A L E -ab 77 99A 0 69,-3.3 71,-2.2 -2,-0.5 2,-0.3 -0.820 17.2-179.8 -98.0 126.1 20.3 21.0 -2.7 8 10 A V E + b 0 100A 0 91,-2.6 93,-2.7 -2,-0.5 72,-0.1 -0.863 23.6 96.6-122.0 158.1 19.2 23.6 -0.2 9 11 A G - 0 0 0 -2,-0.3 93,-0.1 70,-0.2 3,-0.1 -0.793 67.9 -51.5 147.5 171.8 15.8 25.1 0.6 10 12 A P > - 0 0 13 0, 0.0 3,-1.5 0, 0.0 5,-0.3 -0.201 69.6 -78.5 -71.0 162.8 12.9 24.8 3.0 11 13 A M T 3 S+ 0 0 70 1,-0.3 104,-0.0 2,-0.1 68,-0.0 -0.389 122.1 34.5 -60.4 137.9 11.1 21.6 3.8 12 14 A G T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 97,-0.1 98,-0.1 0.531 81.6 115.3 92.4 7.5 8.7 20.8 1.0 13 15 A A S < S- 0 0 15 -3,-1.5 -2,-0.1 -4,-0.1 -5,-0.1 0.649 89.8-109.6 -82.3 -16.7 11.0 22.2 -1.7 14 16 A G >> + 0 0 26 -4,-0.2 4,-3.0 -5,-0.1 5,-0.5 0.679 68.3 147.0 94.7 21.5 11.5 18.8 -3.3 15 17 A K H >5S+ 0 0 21 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.929 75.8 39.4 -55.4 -48.2 15.1 18.4 -2.2 16 18 A S H >5S+ 0 0 37 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.916 119.5 44.6 -69.6 -45.4 14.8 14.6 -1.8 17 19 A T H >5S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.935 119.7 40.2 -66.3 -47.4 12.6 14.0 -4.9 18 20 A I H X5S+ 0 0 16 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.883 115.4 53.6 -69.2 -37.3 14.6 16.2 -7.2 19 21 A G H XS+ 0 0 1 -4,-2.6 5,-3.3 1,-0.2 4,-0.4 0.869 113.5 45.5 -56.8 -40.8 21.5 11.2 -8.8 24 26 A Q H <5S+ 0 0 143 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.860 113.9 47.2 -72.9 -37.4 19.9 8.6 -11.1 25 27 A Q H <5S+ 0 0 69 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.819 121.9 36.8 -74.1 -29.6 20.2 10.7 -14.3 26 28 A L T <5S- 0 0 57 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.367 109.4-121.8-102.0 3.2 23.8 11.6 -13.5 27 29 A N T 5 + 0 0 143 -4,-0.4 2,-0.2 -5,-0.2 -3,-0.2 0.935 65.2 136.4 57.1 50.3 24.6 8.1 -12.0 28 30 A M < - 0 0 19 -5,-3.3 2,-0.3 -6,-0.1 46,-0.2 -0.710 60.0 -90.8-120.9 173.1 25.7 9.6 -8.6 29 31 A E E -c 74 0A 88 44,-1.8 46,-3.0 -2,-0.2 2,-0.4 -0.638 36.8-145.9 -84.2 141.5 25.1 8.7 -5.0 30 32 A F E +c 75 0A 49 -2,-0.3 2,-0.3 44,-0.2 46,-0.2 -0.907 19.3 177.0-110.4 138.0 22.1 10.3 -3.3 31 33 A Y E -c 76 0A 50 44,-2.4 46,-2.7 -2,-0.4 2,-0.4 -0.973 17.8-161.7-136.3 151.6 22.1 11.3 0.4 32 34 A D E > -c 77 0A 10 -2,-0.3 4,-1.9 44,-0.2 3,-0.4 -0.984 14.9-148.7-132.0 114.9 19.6 13.1 2.6 33 35 A S H > S+ 0 0 0 44,-2.1 4,-1.8 -2,-0.4 5,-0.1 0.842 100.7 54.5 -56.8 -34.0 21.1 14.5 5.8 34 36 A D H > S+ 0 0 24 43,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.908 109.3 48.8 -64.8 -39.7 17.8 13.9 7.7 35 37 A Q H > S+ 0 0 89 -3,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.818 108.2 53.1 -67.0 -33.8 18.1 10.2 6.6 36 38 A E H X S+ 0 0 30 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.866 108.1 51.3 -70.8 -35.4 21.7 10.0 7.7 37 39 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 6,-0.3 0.915 110.3 48.1 -65.7 -43.2 20.7 11.3 11.2 38 40 A E H X>S+ 0 0 48 -4,-1.9 4,-1.9 1,-0.2 5,-0.6 0.893 111.0 52.7 -63.7 -39.1 17.9 8.7 11.4 39 41 A K H <5S+ 0 0 162 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.6 43.7 -64.7 -37.2 20.5 6.0 10.3 40 42 A R H <5S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.747 124.4 33.4 -81.0 -23.9 22.9 7.1 13.1 41 43 A T H <5S- 0 0 6 -4,-1.9 236,-0.2 2,-0.2 -2,-0.2 0.498 97.2-131.9-106.2 -10.5 20.3 7.4 15.8 42 44 A G T <5S+ 0 0 48 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.734 72.6 100.9 64.2 21.6 18.0 4.6 14.7 43 45 A A S - 0 0 76 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.337 42.1-128.0 -57.4 137.6 12.7 9.3 13.3 45 47 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 71,-0.1 0.867 108.9 52.2 -59.5 -39.3 14.4 12.6 12.6 46 48 A G H > S+ 0 0 5 69,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.833 107.2 53.3 -66.3 -33.2 11.6 14.6 14.2 47 49 A W H > S+ 0 0 55 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.904 108.2 49.5 -67.5 -42.7 11.8 12.5 17.3 48 50 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.899 111.6 50.5 -63.1 -39.8 15.5 13.2 17.6 49 51 A F H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.964 112.9 45.0 -61.4 -54.2 14.7 16.9 17.2 50 52 A D H < S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 119.4 40.5 -59.0 -42.6 12.0 16.9 19.9 51 53 A L H < S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.900 122.7 37.2 -76.4 -42.9 14.1 14.9 22.4 52 54 A E H X S- 0 0 21 -4,-2.5 4,-0.8 -5,-0.3 -2,-0.2 0.714 103.1-136.9 -83.1 -20.2 17.5 16.5 21.9 53 55 A G H X - 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.004 35.5 -66.9 81.0 163.2 16.2 20.0 21.4 54 56 A E H > S+ 0 0 8 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.892 129.6 55.4 -52.4 -51.2 17.5 22.4 18.7 55 57 A E H > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 113.7 38.5 -51.8 -55.9 21.0 22.8 20.2 56 58 A G H X S+ 0 0 24 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.881 116.8 51.2 -66.0 -40.2 21.8 19.1 20.2 57 59 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.949 109.4 49.9 -62.2 -50.5 20.1 18.4 16.9 58 60 A R H X S+ 0 0 29 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.872 110.5 50.3 -58.1 -38.5 21.9 21.3 15.1 59 61 A D H X S+ 0 0 85 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.948 113.2 45.3 -64.6 -48.0 25.3 20.1 16.4 60 62 A R H X S+ 0 0 71 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.907 113.7 50.5 -60.2 -44.4 24.6 16.5 15.2 61 63 A E H X S+ 0 0 5 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.900 108.1 52.1 -61.1 -44.2 23.3 17.8 11.9 62 64 A E H X S+ 0 0 38 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.887 111.2 47.4 -60.5 -40.9 26.4 19.9 11.3 63 65 A K H X S+ 0 0 126 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.925 112.1 49.4 -68.6 -43.5 28.7 17.0 12.0 64 66 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.935 113.7 46.0 -58.8 -48.0 26.7 14.7 9.7 65 67 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.857 107.7 56.7 -65.8 -40.0 26.8 17.4 6.9 66 68 A N H X S+ 0 0 39 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.945 112.6 43.0 -57.4 -44.6 30.5 18.0 7.4 67 69 A E H >< S+ 0 0 91 -4,-2.0 3,-0.7 1,-0.2 4,-0.3 0.900 113.9 48.6 -69.0 -42.6 31.1 14.3 6.8 68 70 A L H >< S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.926 107.5 55.4 -64.5 -42.4 28.8 13.9 3.8 69 71 A T H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.652 97.1 65.3 -67.2 -14.0 30.1 16.9 2.0 70 72 A E T << S+ 0 0 113 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.577 86.3 93.1 -81.9 -12.4 33.6 15.5 2.2 71 73 A K S < S- 0 0 83 -3,-2.0 2,-0.4 -4,-0.3 3,-0.2 -0.231 75.3-125.2 -73.9 172.0 32.5 12.7 -0.1 72 74 A Q S S+ 0 0 157 1,-0.2 -43,-0.1 -69,-0.1 -69,-0.1 -0.961 78.3 13.7-125.0 139.0 32.9 12.9 -3.9 73 75 A G S S+ 0 0 2 -71,-0.4 -44,-1.8 -2,-0.4 2,-0.3 0.874 89.6 134.3 71.6 38.5 30.3 12.5 -6.6 74 76 A I E - c 0 29A 0 -46,-0.2 -69,-2.2 -3,-0.2 2,-0.5 -0.836 51.3-141.5-120.2 159.1 27.2 12.8 -4.5 75 77 A V E -ac 5 30A 0 -46,-3.0 -44,-2.4 -2,-0.3 2,-0.5 -0.982 27.1-161.3-114.4 121.6 23.9 14.7 -4.6 76 78 A L E -ac 6 31A 0 -71,-2.7 -69,-3.3 -2,-0.5 2,-0.9 -0.916 18.5-157.3-115.1 126.5 22.9 15.9 -1.1 77 79 A A E -ac 7 32A 1 -46,-2.7 -44,-2.1 -2,-0.5 -43,-0.4 -0.876 29.7-154.3 -94.7 107.6 19.5 16.9 0.1 78 80 A T - 0 0 1 -71,-2.2 -69,-0.1 -2,-0.9 -63,-0.1 -0.550 21.7 -93.5 -87.6 152.3 20.4 19.1 3.0 79 81 A G > - 0 0 1 -2,-0.2 3,-1.5 1,-0.1 4,-0.4 -0.274 34.2-117.7 -61.2 146.2 18.2 19.8 6.0 80 82 A G T 3 S+ 0 0 15 1,-0.3 3,-0.4 2,-0.1 -71,-0.1 0.856 113.6 35.4 -53.6 -41.1 16.1 22.9 5.8 81 83 A G T > S+ 0 0 2 1,-0.2 3,-1.6 2,-0.1 4,-0.3 0.302 86.9 100.0 -98.7 9.8 17.7 24.6 8.8 82 84 A S G X S+ 0 0 2 -3,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.757 72.3 69.0 -65.1 -22.7 21.2 23.2 8.2 83 85 A V G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 -4,-0.4 6,-0.1 0.531 76.3 83.3 -74.0 -6.3 22.1 26.6 6.7 84 86 A K G < S+ 0 0 44 -3,-1.6 2,-0.4 4,-0.1 -1,-0.2 0.892 75.5 80.6 -63.4 -39.8 21.8 28.2 10.1 85 87 A S S <> S- 0 0 16 -3,-0.9 4,-2.2 -4,-0.3 5,-0.2 -0.557 70.8-154.4 -72.8 121.8 25.4 27.1 10.8 86 88 A R H > S+ 0 0 156 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.894 96.0 53.7 -62.3 -39.1 27.9 29.5 9.2 87 89 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 108.0 50.2 -62.9 -42.3 30.5 26.7 9.1 88 90 A T H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.936 109.2 51.6 -62.1 -43.6 28.1 24.4 7.3 89 91 A R H X S+ 0 0 36 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.889 110.5 47.8 -62.3 -37.2 27.3 27.2 4.7 90 92 A N H X S+ 0 0 99 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.868 113.0 49.1 -71.3 -33.0 31.0 27.7 4.0 91 93 A R H X S+ 0 0 31 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.925 110.1 50.3 -70.5 -42.9 31.5 24.0 3.7 92 94 A L H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.937 112.5 47.4 -58.7 -48.4 28.5 23.6 1.3 93 95 A S H < S+ 0 0 50 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.924 117.3 41.9 -61.1 -46.9 29.8 26.4 -0.9 94 96 A A H < S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.6 49.6 -72.7 -30.5 33.4 25.1 -1.0 95 97 A R H < S- 0 0 72 -4,-2.6 -91,-0.4 -5,-0.2 2,-0.3 0.482 119.0 -17.5 -93.5 -1.8 32.6 21.4 -1.5 96 98 A G S < S- 0 0 1 -4,-0.9 2,-0.6 -3,-0.4 -91,-0.2 -0.982 81.6 -61.5-177.2-177.0 30.1 21.4 -4.3 97 99 A V E -b 5 0A 27 -93,-2.8 -91,-2.6 -2,-0.3 2,-0.6 -0.805 49.6-141.9 -88.7 120.6 27.6 23.3 -6.5 98 100 A V E -b 6 0A 0 -2,-0.6 44,-3.3 42,-0.3 45,-2.2 -0.751 15.2-168.2 -89.6 117.6 24.8 24.7 -4.3 99 101 A V E -bd 7 143A 0 -93,-3.2 -91,-2.6 -2,-0.6 2,-0.7 -0.924 7.4-154.9-108.5 116.6 21.3 24.5 -5.9 100 102 A Y E -bd 8 144A 0 43,-3.1 45,-2.7 -2,-0.6 2,-1.4 -0.823 3.9-153.9 -95.1 115.4 18.7 26.5 -4.1 101 103 A L - 0 0 6 -93,-2.7 2,-0.3 -2,-0.7 -86,-0.1 -0.721 17.4-151.4 -89.0 90.1 15.1 25.3 -4.6 102 104 A E - 0 0 111 43,-2.3 2,-0.4 -2,-1.4 -93,-0.0 -0.491 19.3-172.1 -65.4 127.0 13.2 28.5 -4.0 103 105 A T - 0 0 20 -2,-0.3 -90,-0.1 -92,-0.0 -92,-0.0 -0.980 19.6-127.9-131.3 135.4 9.8 27.6 -2.7 104 106 A T > - 0 0 88 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.289 29.4-113.7 -72.7 160.8 6.6 29.6 -2.0 105 107 A I H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.923 117.9 57.8 -58.6 -39.9 4.9 29.4 1.3 106 108 A E H > S+ 0 0 144 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.915 106.0 46.6 -56.1 -50.6 2.0 27.8 -0.5 107 109 A K H >4 S+ 0 0 104 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.885 107.7 58.2 -62.5 -37.2 4.1 25.0 -1.8 108 110 A Q H 3< S+ 0 0 9 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.830 107.9 47.0 -61.1 -32.1 5.6 24.5 1.6 109 111 A L H 3< S+ 0 0 57 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.705 91.7 121.0 -80.4 -7.6 2.1 23.9 3.0 110 112 A A S << S- 0 0 44 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.1 -0.070 71.1 -56.8 -89.7 146.3 1.4 21.7 0.3 111 113 A R 0 0 227 1,-0.3 -1,-0.1 0, 0.0 -3,-0.0 -0.191 360.0 360.0 -22.4 -30.4 0.3 17.7 0.7 112 114 A T 0 0 179 -2,-0.3 -1,-0.3 -100,-0.0 -2,-0.1 0.332 360.0 360.0 -61.2 360.0 2.3 15.0 2.5 113 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 114 121 A P 0 0 56 0, 0.0 2,-0.5 0, 0.0 -79,-0.1 0.000 360.0 360.0 360.0 140.7 12.2 11.7 6.9 115 122 A L - 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0 0 63 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.212 39.7-112.7 -59.5 153.3 3.4 23.3 18.3 206 47 B V H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 115.9 59.2 -55.9 -40.1 6.4 23.4 20.6 207 48 B G H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 106.1 46.4 -58.3 -41.2 8.6 21.7 17.9 208 49 B W H > S+ 0 0 1 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.890 110.9 51.7 -69.8 -37.5 7.9 24.4 15.4 209 50 B V H X S+ 0 0 7 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.897 110.4 50.2 -63.4 -40.1 8.6 27.2 17.9 210 51 B F H X S+ 0 0 13 -4,-2.4 4,-2.1 -5,-0.2 8,-0.2 0.927 111.8 47.5 -62.7 -47.2 11.9 25.5 18.7 211 52 B D H < S+ 0 0 6 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.934 116.5 43.2 -60.9 -47.9 12.8 25.3 15.0 212 53 B L H < S+ 0 0 40 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.944 123.4 34.0 -64.9 -50.1 11.9 28.9 14.3 213 54 B E H X S- 0 0 54 -4,-2.9 4,-0.8 -5,-0.2 -1,-0.2 0.642 99.5-140.1 -85.4 -14.3 13.5 30.5 17.4 214 55 B G H X - 0 0 9 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 -0.102 40.5 -58.9 77.4 175.8 16.5 28.2 17.8 215 56 B E H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.979 135.9 41.2 -59.0 -67.4 17.8 27.0 21.2 216 57 B E H > S+ 0 0 171 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.926 117.4 50.8 -47.5 -52.2 18.5 30.3 22.9 217 58 B G H X S+ 0 0 23 -4,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.934 113.2 42.5 -53.6 -55.1 15.3 31.8 21.5 218 59 B F H X S+ 0 0 1 -4,-2.8 4,-2.8 -8,-0.2 -1,-0.2 0.906 114.0 51.4 -60.8 -44.3 13.0 29.0 22.7 219 60 B R H X S+ 0 0 29 -4,-2.9 4,-3.1 -5,-0.3 -1,-0.2 0.875 107.7 53.3 -61.8 -37.1 14.7 28.7 26.1 220 61 B D H X S+ 0 0 105 -4,-2.4 4,-1.6 -5,-0.3 -1,-0.2 0.917 111.7 45.3 -63.7 -43.3 14.3 32.4 26.6 221 62 B R H X S+ 0 0 79 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.910 113.8 50.1 -65.8 -41.1 10.6 32.2 25.9 222 63 B E H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.929 107.9 51.9 -63.5 -47.0 10.4 29.1 28.1 223 64 B E H X S+ 0 0 52 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.864 112.2 48.7 -57.1 -37.6 12.1 30.8 31.0 224 65 B K H X S+ 0 0 128 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.890 110.2 48.8 -70.4 -43.2 9.7 33.7 30.6 225 66 B V H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.946 114.4 45.6 -63.9 -46.4 6.6 31.5 30.6 226 67 B I H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.826 109.0 56.7 -66.1 -32.1 7.7 29.6 33.6 227 68 B N H X S+ 0 0 43 -4,-1.6 4,-0.8 -5,-0.3 -2,-0.2 0.978 111.6 42.6 -61.8 -52.6 8.6 32.8 35.4 228 69 B E H >< S+ 0 0 73 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.902 115.2 50.2 -58.2 -45.5 5.0 34.1 34.9 229 70 B L H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.873 106.4 53.4 -64.8 -39.3 3.5 30.7 35.8 230 71 B T H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.611 95.0 69.4 -74.0 -11.3 5.5 30.3 39.1 231 72 B E T << S+ 0 0 133 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.729 85.7 91.1 -75.8 -21.7 4.4 33.7 40.3 232 73 B K S < S- 0 0 82 -3,-1.1 2,-0.4 -4,-0.5 3,-0.2 -0.138 76.0-127.6 -66.7 167.8 0.9 32.2 40.7 233 74 B Q S S+ 0 0 176 1,-0.2 -43,-0.1 -69,-0.1 -69,-0.1 -0.955 77.9 14.7-123.0 140.9 -0.3 30.6 43.9 234 75 B G S S+ 0 0 15 -71,-0.5 -44,-1.9 -2,-0.4 2,-0.3 0.854 87.9 135.2 70.3 37.3 -1.8 27.1 44.3 235 76 B I E - g 0 190B 2 -46,-0.2 -69,-2.3 -3,-0.2 2,-0.6 -0.828 51.8-140.6-117.9 157.5 -0.9 25.6 41.0 236 77 B V E -eg 166 191B 0 -46,-2.8 -44,-2.3 -2,-0.3 2,-0.5 -0.978 29.2-160.1-111.3 115.4 0.5 22.3 39.8 237 78 B L E -eg 167 192B 0 -71,-2.8 -69,-3.0 -2,-0.6 2,-0.7 -0.885 12.7-157.5-107.7 128.4 3.0 23.1 37.0 238 79 B A E -eg 168 193B 0 -46,-3.0 -44,-2.5 -2,-0.5 -43,-0.4 -0.880 19.7-163.4-100.9 109.5 4.1 20.5 34.5 239 80 B T - 0 0 1 -71,-1.9 2,-0.2 -2,-0.7 -63,-0.1 -0.293 21.4-100.3 -85.2 174.6 7.5 21.7 33.0 240 81 B G > - 0 0 1 1,-0.1 3,-1.1 -2,-0.1 4,-0.4 -0.503 32.9-105.3 -91.4 165.8 9.1 20.5 29.9 241 82 B G T 3 S+ 0 0 3 1,-0.3 3,-0.4 -2,-0.2 -71,-0.1 0.864 119.7 37.5 -58.0 -39.9 12.0 18.0 29.7 242 83 B G T > S+ 0 0 8 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.383 85.3 100.9 -95.1 4.4 14.6 20.6 28.9 243 84 B S G X S+ 0 0 0 -3,-1.1 3,-0.9 1,-0.3 -1,-0.2 0.799 77.0 60.7 -57.3 -30.6 13.3 23.3 31.2 244 85 B V G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 -4,-0.4 6,-0.1 0.530 79.6 83.2 -77.8 -5.6 15.9 22.4 33.8 245 86 B K G < S+ 0 0 44 -3,-1.9 2,-0.6 4,-0.0 -1,-0.2 0.830 78.8 80.1 -64.4 -29.4 18.8 23.2 31.5 246 87 B S S <> S- 0 0 14 -3,-0.9 4,-2.4 -4,-0.4 5,-0.1 -0.695 70.1-156.7 -83.0 117.1 18.3 26.8 32.5 247 88 B R H > S+ 0 0 150 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.861 95.1 58.0 -59.5 -34.6 19.9 27.5 35.9 248 89 B E H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.960 107.4 44.6 -59.1 -54.6 17.5 30.5 36.2 249 90 B T H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.919 111.2 55.7 -57.1 -43.6 14.4 28.2 35.9 250 91 B R H X S+ 0 0 26 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.921 112.5 40.6 -56.6 -46.2 16.0 25.7 38.3 251 92 B N H X S+ 0 0 69 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.837 114.3 53.7 -72.3 -32.2 16.4 28.3 41.0 252 93 B R H X S+ 0 0 58 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.952 109.9 47.2 -66.0 -47.6 13.0 29.9 40.2 253 94 B L H >X S+ 0 0 0 -4,-3.2 3,-0.6 1,-0.2 4,-0.6 0.946 112.8 48.6 -57.9 -49.5 11.3 26.5 40.6 254 95 B S H 3< S+ 0 0 46 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.833 113.3 49.0 -60.8 -32.5 13.1 25.8 43.9 255 96 B A H 3< S+ 0 0 70 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.704 114.9 40.2 -81.9 -21.3 12.2 29.2 45.2 256 97 B R H << S- 0 0 77 -4,-1.5 -91,-0.5 -3,-0.6 2,-0.3 0.238 118.8 -10.3-116.1 15.7 8.5 29.2 44.5 257 98 B G S < S- 0 0 0 -4,-0.6 2,-0.6 -3,-0.3 -91,-0.2 -0.988 81.3 -61.2 173.5 178.0 7.3 25.7 45.3 258 99 B V E -f 166 0B 30 -93,-3.0 -91,-2.6 -2,-0.3 2,-0.6 -0.766 49.5-141.6 -85.9 120.5 7.8 22.1 46.1 259 100 B V E -f 167 0B 0 -2,-0.6 35,-2.8 33,-0.3 36,-1.5 -0.749 15.7-167.3 -89.8 121.6 9.8 20.4 43.3 260 101 B V E -fh 168 295B 0 -93,-2.7 -91,-2.7 -2,-0.6 2,-0.6 -0.943 7.2-153.0-111.8 118.7 8.7 16.9 42.6 261 102 B Y E -fh 169 296B 3 34,-3.0 36,-2.6 -2,-0.6 2,-1.2 -0.803 2.6-154.3 -95.0 120.6 11.0 14.8 40.4 262 103 B L - 0 0 5 -93,-3.0 2,-0.4 -2,-0.6 -86,-0.1 -0.753 14.4-154.4 -94.9 88.4 9.3 12.1 38.4 263 104 B E - 0 0 115 34,-1.6 2,-0.4 -2,-1.2 -93,-0.1 -0.527 19.7-174.5 -65.9 119.8 12.2 9.7 37.9 264 105 B T - 0 0 29 -2,-0.4 -90,-0.1 -92,-0.0 -89,-0.0 -0.960 22.6-118.6-125.2 138.0 11.4 7.8 34.7 265 106 B T > - 0 0 62 -2,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.326 22.6-121.8 -71.4 153.7 13.1 4.9 33.0 266 107 B I H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.842 114.1 58.1 -62.5 -34.1 14.5 5.2 29.5 267 108 B E H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 108.8 44.4 -62.0 -45.3 12.3 2.3 28.5 268 109 B K H 4 S+ 0 0 120 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 113.1 51.0 -66.8 -40.6 9.2 4.3 29.6 269 110 B Q H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 110.7 49.4 -60.4 -47.9 10.5 7.5 28.0 270 111 B L H < 0 0 67 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.906 360.0 360.0 -58.5 -47.1 11.1 5.6 24.7 271 112 B A < 0 0 110 -4,-2.3 0, 0.0 -5,-0.2 0, 0.0 -0.462 360.0 360.0 -67.4 360.0 7.6 4.0 24.7 272 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 273 128 B P > 0 0 120 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 116.2 19.1 1.6 19.1 274 129 B P T >> + 0 0 35 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.704 360.0 85.2 -59.5 -17.3 17.3 4.9 19.8 275 130 B R H 3> S+ 0 0 93 1,-0.3 4,-1.8 2,-0.2 3,-0.5 0.839 78.8 64.4 -49.6 -40.8 17.9 4.3 23.5 276 131 B E H <> S+ 0 0 120 -3,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.786 93.3 59.7 -59.2 -30.0 21.4 5.8 23.2 277 132 B V H <> S+ 0 0 7 -3,-1.6 4,-1.3 -4,-0.3 -1,-0.2 0.933 111.2 41.5 -63.7 -42.2 19.8 9.2 22.4 278 133 B L H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.5 -2,-0.2 0.759 107.2 61.6 -76.7 -25.2 18.1 9.1 25.8 279 134 B E H X S+ 0 0 61 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.935 107.2 44.7 -66.0 -44.2 21.1 7.7 27.6 280 135 B A H X S+ 0 0 60 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.868 113.7 50.7 -66.4 -36.7 23.1 10.8 26.7 281 136 B L H X S+ 0 0 20 -4,-1.3 4,-3.2 1,-0.2 3,-0.4 0.906 109.5 50.4 -67.2 -42.2 20.2 13.1 27.6 282 137 B A H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.898 105.2 56.9 -63.9 -39.9 19.8 11.3 31.0 283 138 B N H < S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 116.4 36.9 -62.8 -28.2 23.5 11.8 31.7 284 139 B E H < S+ 0 0 90 -4,-1.1 4,-0.4 -3,-0.4 -2,-0.2 0.911 125.9 33.2 -87.9 -49.6 23.0 15.5 31.2 285 140 B R H >X S+ 0 0 12 -4,-3.2 4,-2.2 1,-0.2 3,-0.6 0.783 100.8 73.2 -81.6 -30.8 19.6 16.2 32.8 286 141 B N H 3X S+ 0 0 48 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.890 97.4 50.5 -54.6 -40.7 19.4 13.6 35.6 287 142 B P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.851 110.4 51.9 -66.4 -27.9 21.8 15.6 37.8 288 143 B L H <> S+ 0 0 28 -3,-0.6 4,-1.1 -4,-0.4 -2,-0.2 0.886 109.8 46.6 -73.8 -40.3 19.7 18.7 37.2 289 144 B Y H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.4 0.937 115.1 48.4 -64.9 -46.7 16.5 17.0 38.2 290 145 B E H < S+ 0 0 110 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.865 102.8 61.5 -62.4 -38.0 18.2 15.6 41.3 291 146 B E H < S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.1 30.2 -60.4 -36.7 19.8 18.9 42.3 292 147 B I H < S+ 0 0 9 -4,-1.1 -33,-0.3 -3,-0.4 -1,-0.2 0.448 89.0 123.4-102.0 -1.0 16.4 20.6 42.8 293 148 B A < + 0 0 25 -4,-1.0 -33,-0.2 -3,-0.4 3,-0.2 -0.426 30.6 177.0 -68.6 128.2 14.2 17.7 43.8 294 149 B D S S+ 0 0 98 -35,-2.8 2,-0.3 1,-0.4 -34,-0.2 0.678 83.2 17.0 -95.5 -26.5 12.4 18.1 47.2 295 150 B V E S-h 260 0B 21 -36,-1.5 -34,-3.0 2,-0.0 2,-0.5 -0.989 71.2-158.1-146.2 136.2 10.7 14.7 46.5 296 151 B T E h 261 0B 68 -2,-0.3 -34,-0.2 -36,-0.2 -36,-0.0 -0.981 360.0 360.0-121.8 127.2 11.6 12.0 44.1 297 152 B I 0 0 42 -36,-2.6 -34,-1.6 -2,-0.5 -2,-0.0 -0.968 360.0 360.0-119.0 360.0 9.1 9.4 42.9 298 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 299 158 B S > 0 0 105 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -87.9 -0.8 4.6 37.1 300 159 B A H > + 0 0 7 2,-0.2 4,-4.2 1,-0.2 5,-0.3 0.933 360.0 54.9 -66.6 -47.3 -1.1 8.4 37.5 301 160 B K H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 109.6 48.5 -52.6 -44.5 -3.6 8.2 40.4 302 161 B V H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 115.0 43.6 -63.0 -47.7 -1.1 6.0 42.2 303 162 B V H X S+ 0 0 28 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.938 112.6 53.0 -63.0 -46.4 1.8 8.4 41.6 304 163 B A H X S+ 0 0 0 -4,-4.2 4,-1.6 1,-0.2 -1,-0.2 0.797 111.1 47.9 -59.4 -30.2 -0.5 11.4 42.4 305 164 B N H X S+ 0 0 56 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.829 108.4 52.6 -80.2 -33.8 -1.3 9.6 45.7 306 165 B Q H X S+ 0 0 93 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.917 111.9 47.2 -66.3 -42.6 2.3 8.9 46.6 307 166 B I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.925 113.6 48.3 -62.0 -47.3 3.2 12.5 46.0 308 167 B I H < S+ 0 0 38 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.935 113.9 45.1 -59.9 -48.3 0.2 13.6 48.1 309 168 B H H < S+ 0 0 136 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.781 113.9 52.4 -66.6 -26.1 1.1 11.2 50.9 310 169 B M H < S+ 0 0 112 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.757 108.3 48.6 -81.0 -27.1 4.7 12.4 50.6 311 170 B L < 0 0 56 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.392 360.0 360.0 -92.1 2.2 3.8 16.0 50.9 312 171 B E 0 0 206 -4,-0.4 -3,-0.2 -3,-0.3 -4,-0.1 0.933 360.0 360.0 51.9 360.0 1.7 15.3 54.0