==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-AUG-11 3T8B . COMPND 2 MOLECULE: 1,4-DIHYDROXY-2-NAPHTHOYL-COA SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H-J.LI,X.LI,N.LIU,H.ZHANG,J.TRUGLIO,S.MISHRA,C.KISKER,M.GARC . 434 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 25 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 0 0 3 2 0 3 0 0 2 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 17 A D 0 0 93 0, 0.0 200,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.9 -18.9 -20.3 -5.3 2 18 A N - 0 0 74 1,-0.1 198,-0.1 2,-0.1 197,-0.0 -0.490 360.0-144.3 -70.1 130.3 -19.7 -21.4 -8.9 3 19 A P S S+ 0 0 6 0, 0.0 2,-0.6 0, 0.0 200,-0.2 0.752 76.9 92.8 -63.2 -25.7 -19.8 -18.5 -11.4 4 20 A F - 0 0 58 71,-0.2 2,-1.0 199,-0.1 3,-0.1 -0.624 57.2-167.2 -82.1 115.5 -22.6 -20.2 -13.3 5 21 A D > - 0 0 66 -2,-0.6 3,-2.2 1,-0.2 4,-0.2 -0.766 8.5-171.4 -99.0 85.3 -26.1 -19.1 -12.2 6 22 A A G > S+ 0 0 57 -2,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.811 76.8 60.6 -50.6 -42.7 -28.1 -21.8 -14.0 7 23 A K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.680 96.8 63.0 -65.2 -15.1 -31.5 -20.4 -13.4 8 24 A A G < S+ 0 0 12 -3,-2.2 19,-2.2 18,-0.1 20,-0.3 0.462 101.3 63.2 -85.2 -0.9 -30.6 -17.3 -15.3 9 25 A W E < -A 26 0A 7 -3,-2.1 2,-0.3 17,-0.2 17,-0.2 -0.864 56.6-164.4-129.6 155.5 -30.1 -19.2 -18.5 10 26 A R E -A 25 0A 149 15,-2.1 15,-3.1 -2,-0.3 2,-0.1 -0.986 35.0-100.9-135.3 146.9 -32.0 -21.3 -21.1 11 27 A L E -A 24 0A 124 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.423 35.8-118.5 -65.4 137.5 -30.6 -23.5 -23.8 12 28 A V > - 0 0 22 11,-2.0 3,-0.7 -2,-0.1 11,-0.1 -0.629 36.7-112.5 -72.6 131.7 -30.6 -22.1 -27.3 13 29 A D T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.2 11,-0.0 -0.330 93.2 39.1 -65.9 146.6 -32.9 -24.2 -29.6 14 30 A G T 3 S+ 0 0 65 -3,-0.0 -1,-0.2 -2,-0.0 3,-0.1 0.572 90.0 88.4 96.0 12.4 -31.3 -26.3 -32.4 15 31 A F X + 0 0 31 -3,-0.7 3,-1.8 1,-0.1 8,-0.1 -0.096 36.9 131.7-132.2 35.4 -28.2 -27.6 -30.6 16 32 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -5,-0.0 -3,-0.0 0.709 70.8 61.2 -61.5 -21.4 -29.4 -30.8 -28.9 17 33 A D T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.408 72.6 123.9 -91.3 2.9 -26.4 -32.6 -30.3 18 34 A L < + 0 0 32 -3,-1.8 5,-0.1 1,-0.2 31,-0.0 -0.421 22.6 160.9 -64.6 134.2 -23.7 -30.5 -28.6 19 35 A T S S+ 0 0 77 -2,-0.1 -1,-0.2 29,-0.1 30,-0.1 0.626 72.7 34.9-121.8 -30.7 -21.3 -32.6 -26.4 20 36 A D S S+ 0 0 4 28,-0.1 17,-3.0 1,-0.1 2,-0.3 0.484 116.4 45.8-108.2 -8.3 -18.2 -30.4 -25.8 21 37 A I E - B 0 36A 3 15,-0.2 2,-0.4 16,-0.1 15,-0.2 -0.980 65.4-144.1-137.6 143.1 -19.8 -27.0 -25.6 22 38 A T E - B 0 35A 25 13,-2.5 13,-2.2 -2,-0.3 2,-0.4 -0.891 13.8-167.2-107.3 148.5 -22.8 -25.5 -23.8 23 39 A Y E + B 0 34A 4 -2,-0.4 -11,-2.0 11,-0.2 2,-0.3 -0.924 14.5 165.6-141.2 106.6 -24.9 -22.7 -25.4 24 40 A H E -AB 11 33A 25 9,-2.5 9,-2.7 -2,-0.4 2,-0.4 -0.865 26.0-145.3-122.8 156.9 -27.4 -20.7 -23.5 25 41 A R E -AB 10 32A 65 -15,-3.1 -15,-2.1 -2,-0.3 7,-0.2 -0.952 35.4-105.7-116.3 139.7 -29.4 -17.4 -23.9 26 42 A H E -A 9 0A 23 5,-2.7 -17,-0.2 -2,-0.4 5,-0.1 -0.295 23.9-123.6 -63.4 148.0 -30.1 -15.2 -20.9 27 43 A V S S+ 0 0 57 -19,-2.2 -1,-0.1 1,-0.1 -18,-0.1 0.791 104.0 5.8 -63.4 -26.1 -33.7 -15.3 -19.6 28 44 A D S S+ 0 0 134 -20,-0.3 2,-0.1 3,-0.1 -1,-0.1 0.688 114.5 75.5-123.9 -40.4 -34.0 -11.5 -20.1 29 45 A D S S- 0 0 51 2,-0.1 2,-2.2 1,-0.1 -3,-0.3 -0.455 78.9-116.7 -90.4 154.2 -30.9 -10.0 -21.8 30 46 A A S S+ 0 0 32 -2,-0.1 37,-2.4 -5,-0.1 38,-1.8 -0.341 82.1 113.0 -77.7 56.7 -29.8 -10.1 -25.4 31 47 A T E - c 0 68A 0 -2,-2.2 -5,-2.7 36,-0.2 2,-0.3 -0.990 50.7-158.7-136.5 135.8 -26.7 -12.0 -24.2 32 48 A V E -Bc 25 69A 0 36,-2.4 38,-2.8 -2,-0.4 2,-0.5 -0.829 10.5-141.4-113.4 156.8 -25.6 -15.6 -24.8 33 49 A R E -Bc 24 70A 3 -9,-2.7 -9,-2.5 -2,-0.3 2,-0.5 -0.980 16.5-176.2-119.3 117.9 -23.2 -17.8 -22.9 34 50 A V E +Bc 23 71A 0 36,-3.1 38,-2.7 -2,-0.5 2,-0.4 -0.974 15.7 174.9-116.2 122.0 -20.9 -20.1 -24.8 35 51 A A E -Bc 22 72A 0 -13,-2.2 -13,-2.5 -2,-0.5 38,-0.3 -0.986 37.3-116.4-139.6 137.0 -18.7 -22.4 -22.7 36 52 A F E -Bc 21 73A 0 36,-2.0 38,-2.8 -2,-0.4 -15,-0.2 -0.465 28.4-162.6 -60.2 135.8 -16.2 -25.2 -23.0 37 53 A N + 0 0 59 -17,-3.0 -16,-0.1 36,-0.2 -1,-0.1 -0.257 61.2 90.1-124.5 45.5 -17.9 -28.2 -21.4 38 54 A R > > + 0 0 39 36,-0.2 5,-2.5 -18,-0.1 3,-1.8 -0.397 36.4 153.0-133.0 57.6 -15.0 -30.6 -20.7 39 55 A P G > 5 + 0 0 21 0, 0.0 3,-1.8 0, 0.0 38,-0.2 0.779 67.4 69.3 -61.6 -27.1 -13.9 -29.7 -17.2 40 56 A E G 3 5S+ 0 0 97 1,-0.3 37,-0.1 2,-0.1 -2,-0.0 0.771 109.0 35.7 -64.4 -25.1 -12.6 -33.2 -16.6 41 57 A V G X 5S- 0 0 65 -3,-1.8 3,-1.4 3,-0.1 -1,-0.3 -0.121 125.2 -97.6-117.8 34.5 -9.8 -32.5 -19.1 42 58 A R T < 5S- 0 0 78 -3,-1.8 45,-1.3 1,-0.3 -2,-0.1 0.801 71.2 -69.6 56.8 32.8 -9.3 -28.8 -18.2 43 59 A N T 3 > - 0 0 112 -2,-0.4 4,-1.8 43,-0.1 3,-0.9 -0.695 49.1 -91.1-104.8 168.6 -10.4 -31.6 -29.7 47 63 A P H 3> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.877 129.7 55.3 -50.2 -40.3 -11.3 -31.1 -33.4 48 64 A H H 3> S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.881 105.0 53.5 -58.2 -39.8 -14.9 -31.9 -32.5 49 65 A T H <> S+ 0 0 0 -3,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.907 107.6 50.2 -61.0 -44.0 -14.9 -29.2 -29.9 50 66 A V H X S+ 0 0 3 -4,-1.8 4,-2.7 47,-0.2 -1,-0.2 0.899 108.4 52.6 -63.9 -41.2 -13.7 -26.6 -32.4 51 67 A D H X S+ 0 0 57 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.934 113.0 43.8 -59.8 -47.6 -16.5 -27.6 -34.8 52 68 A E H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.913 112.8 52.2 -62.0 -44.2 -19.1 -27.2 -32.2 53 69 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.919 110.9 47.9 -61.2 -43.6 -17.6 -23.9 -31.0 54 70 A Y H X S+ 0 0 79 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.948 112.0 47.7 -61.5 -51.1 -17.6 -22.5 -34.5 55 71 A R H X S+ 0 0 80 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.864 113.6 49.0 -59.5 -39.8 -21.2 -23.5 -35.2 56 72 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.948 113.9 43.7 -66.8 -49.0 -22.4 -22.0 -32.0 57 73 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.859 112.5 54.0 -65.1 -35.8 -20.6 -18.7 -32.4 58 74 A D H X S+ 0 0 34 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.885 108.6 49.4 -65.3 -38.9 -21.7 -18.5 -36.0 59 75 A H H X S+ 0 0 57 -4,-1.8 4,-0.7 -5,-0.2 -2,-0.2 0.917 109.8 50.9 -65.5 -43.5 -25.3 -19.0 -34.9 60 76 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.901 108.2 53.8 -59.0 -41.2 -24.8 -16.2 -32.3 61 77 A R H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.4 43.2 -58.4 -40.5 -23.4 -14.0 -35.0 62 78 A M H 3< S+ 0 0 114 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.461 87.6 106.3 -89.2 -2.4 -26.6 -14.6 -37.2 63 79 A S X< - 0 0 12 -3,-0.8 3,-2.1 -4,-0.7 -4,-0.0 -0.702 57.0-157.9 -85.0 109.4 -29.1 -14.2 -34.3 64 80 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.794 90.7 49.7 -56.3 -33.7 -30.8 -10.8 -34.7 65 81 A D T 3 S+ 0 0 94 2,-0.0 2,-0.5 -34,-0.0 -2,-0.0 0.170 91.4 91.6 -96.8 17.4 -31.8 -10.6 -31.0 66 82 A V < + 0 0 8 -3,-2.1 -35,-0.2 -6,-0.2 3,-0.1 -0.960 40.3 166.0-111.6 123.8 -28.3 -11.4 -29.6 67 83 A G + 0 0 22 -37,-2.4 45,-0.7 -2,-0.5 2,-0.4 0.840 61.7 29.4 -98.1 -43.9 -26.1 -8.5 -28.9 68 84 A V E -cd 31 112A 0 -38,-1.8 -36,-2.4 43,-0.1 2,-0.5 -0.933 59.7-148.9-130.4 141.6 -23.3 -9.9 -26.8 69 85 A V E -cd 32 113A 0 43,-2.4 45,-3.2 -2,-0.4 2,-0.6 -0.935 5.1-158.6-107.9 127.8 -21.4 -13.2 -26.4 70 86 A L E -cd 33 114A 0 -38,-2.8 -36,-3.1 -2,-0.5 2,-0.6 -0.942 13.5-165.0-100.0 118.4 -20.0 -14.3 -23.1 71 87 A L E +cd 34 115A 0 43,-2.8 45,-3.1 -2,-0.6 2,-0.2 -0.921 27.8 131.2-108.6 121.2 -17.3 -16.9 -23.8 72 88 A T E -c 35 0A 0 -38,-2.7 -36,-2.0 -2,-0.6 2,-0.4 -0.737 49.0 -98.9-149.3-168.8 -16.1 -19.0 -20.9 73 89 A G E -c 36 0A 3 43,-0.5 2,-0.2 -38,-0.3 -36,-0.2 -0.989 28.5-126.3-129.1 139.8 -15.4 -22.4 -19.5 74 90 A N - 0 0 19 -38,-2.8 10,-0.3 -2,-0.4 -36,-0.2 -0.519 49.5 -36.0 -80.3 151.7 -17.6 -24.7 -17.3 75 91 A G - 0 0 17 -2,-0.2 -71,-0.2 8,-0.1 2,-0.1 -0.959 53.8 -54.6-169.8-176.9 -16.2 -26.0 -14.0 76 92 A P - 0 0 50 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.575 57.1-115.9 -89.2 179.0 -14.8 -27.0 -11.8 77 93 A S > - 0 0 8 5,-2.8 4,-1.7 -38,-0.2 -37,-0.1 -0.556 15.6-146.3 -64.5 131.0 -13.1 -30.3 -12.5 78 94 A P T 4 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -38,-0.1 0.690 95.2 60.0 -68.7 -18.5 -14.7 -33.1 -10.4 79 95 A K T 4 S- 0 0 121 1,-0.1 -39,-0.1 -40,-0.1 -2,-0.0 0.912 129.9 -3.7 -81.0 -46.5 -11.3 -34.7 -10.2 80 96 A D T 4 S- 0 0 111 2,-0.1 -1,-0.1 -40,-0.0 3,-0.1 0.304 90.5-112.8-132.0 7.0 -9.2 -32.0 -8.5 81 97 A G < + 0 0 40 -4,-1.7 2,-0.0 1,-0.2 -6,-0.0 0.611 65.7 153.6 69.7 12.9 -11.5 -29.0 -8.1 82 98 A G - 0 0 27 -6,-0.1 -5,-2.8 -43,-0.1 2,-0.4 -0.278 37.8-133.9 -74.2 159.1 -9.4 -27.1 -10.7 83 99 A W + 0 0 31 -7,-0.2 37,-2.0 58,-0.1 2,-0.4 -0.945 24.4 174.7-119.0 136.0 -10.8 -24.3 -12.9 84 100 A A E -g 120 0B 6 -2,-0.4 37,-0.2 35,-0.3 3,-0.1 -0.999 27.8-174.7-140.4 136.4 -10.2 -23.9 -16.6 85 101 A F E S- 0 0 0 35,-2.5 -49,-0.3 -2,-0.4 2,-0.3 0.884 87.8 -34.2 -79.6 -61.6 -11.4 -21.6 -19.3 86 102 A C E -g 121 0B 0 34,-2.1 36,-2.1 -13,-0.1 -42,-0.2 -0.855 46.1-160.2-164.0 122.8 -9.5 -23.5 -21.9 87 103 A S - 0 0 24 -45,-1.3 2,-0.2 1,-0.3 -43,-0.2 0.398 52.6-113.8 -86.9 3.5 -6.2 -25.4 -21.7 88 104 A G - 0 0 0 -45,-0.5 -43,-2.4 35,-0.2 -1,-0.3 -0.583 39.9 -59.3 96.9-161.4 -5.7 -25.4 -25.5 89 105 A G S S- 0 0 8 -45,-0.2 2,-0.8 -2,-0.2 -43,-0.1 0.340 89.3 -20.2 -99.3-136.8 -5.7 -28.3 -27.9 90 106 A D > - 0 0 97 60,-0.3 3,-1.6 1,-0.2 -1,-0.2 -0.684 52.2-161.2 -79.6 108.5 -3.6 -31.4 -28.4 91 107 A Q T 3 S+ 0 0 86 -2,-0.8 -1,-0.2 1,-0.3 60,-0.1 0.468 91.1 46.5 -73.6 0.1 -0.4 -30.7 -26.5 92 108 A R T > S+ 0 0 60 58,-0.1 3,-1.7 1,-0.1 -1,-0.3 -0.073 71.5 126.0-126.8 32.7 1.4 -33.5 -28.4 93 109 A I T < S+ 0 0 27 -3,-1.6 -2,-0.1 56,-0.8 57,-0.1 0.809 74.3 51.1 -62.8 -32.1 0.2 -32.5 -31.9 94 110 A R T 3 0 0 95 55,-0.5 -1,-0.3 1,-0.2 56,-0.1 0.272 360.0 360.0 -91.0 12.1 3.7 -32.4 -33.3 95 111 A G < 0 0 100 -3,-1.7 -1,-0.2 0, 0.0 0, 0.0 -0.713 360.0 360.0 86.1 360.0 4.5 -35.8 -31.9 96 ! 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 97 134 A L 0 0 128 0, 0.0 2,-0.4 0, 0.0 -47,-0.2 0.000 360.0 360.0 360.0 -6.7 -11.8 -28.3 -37.2 98 135 A H >> - 0 0 28 -48,-0.1 3,-2.0 1,-0.1 4,-0.7 -0.885 360.0-133.0-114.2 136.7 -9.0 -25.8 -36.5 99 136 A I H 3> S+ 0 0 8 -2,-0.4 4,-2.5 1,-0.3 3,-0.2 0.750 101.8 70.6 -58.9 -26.8 -9.0 -23.1 -33.8 100 137 A L H 3> S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.839 93.9 57.6 -58.6 -31.3 -7.8 -20.4 -36.2 101 138 A E H <> S+ 0 0 75 -3,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.912 108.9 44.8 -63.5 -42.2 -11.3 -20.6 -37.8 102 139 A V H X S+ 0 0 0 -4,-0.7 4,-2.6 -3,-0.2 -2,-0.2 0.897 111.3 52.0 -69.3 -41.5 -12.9 -19.8 -34.4 103 140 A Q H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 110.5 49.0 -63.3 -40.8 -10.4 -17.0 -33.7 104 141 A R H X S+ 0 0 70 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.922 110.6 51.1 -61.3 -45.2 -11.2 -15.4 -37.1 105 142 A L H X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 111.5 46.5 -60.0 -46.7 -14.9 -15.7 -36.4 106 143 A I H < S+ 0 0 0 -4,-2.6 5,-0.2 1,-0.2 -1,-0.2 0.932 112.5 50.6 -61.0 -47.3 -14.6 -14.0 -33.0 107 144 A R H < S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.883 120.7 32.2 -57.6 -42.2 -12.4 -11.2 -34.4 108 145 A F H < S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.651 84.2 111.3-101.1 -15.6 -14.7 -10.3 -37.3 109 146 A M S < S- 0 0 3 -4,-2.2 2,-1.1 -5,-0.2 4,-0.1 -0.359 74.2-123.2 -61.5 138.2 -18.2 -11.0 -36.1 110 147 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.084 84.7 83.1 -79.5 37.6 -20.1 -7.7 -35.8 111 148 A K S S- 0 0 30 -2,-1.1 2,-0.3 -5,-0.2 -43,-0.1 -0.981 86.5-101.1-138.2 151.5 -20.9 -8.3 -32.1 112 149 A V E -d 68 0A 22 -45,-0.7 -43,-2.4 -2,-0.3 2,-0.6 -0.548 31.9-161.4 -76.5 128.3 -19.0 -7.8 -28.9 113 150 A V E -d 69 0A 0 -2,-0.3 21,-1.7 -45,-0.2 20,-0.8 -0.949 2.1-165.0-112.9 119.7 -17.4 -11.0 -27.4 114 151 A I E -de 70 134A 0 -45,-3.2 -43,-2.8 -2,-0.6 2,-0.5 -0.912 10.6-146.7-105.2 120.0 -16.4 -10.9 -23.8 115 152 A C E -de 71 135A 0 19,-3.1 21,-2.7 -2,-0.6 2,-0.8 -0.764 5.2-158.3 -84.7 125.5 -14.1 -13.7 -22.6 116 153 A L E - 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0 0 33 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.2 -0.034 37.6 -78.6 90.2 160.3 -4.3 -1.3 -54.6 390 206 B Q H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 124.4 54.7 -66.9 -40.1 -7.6 -1.2 -52.8 391 207 B K H > S+ 0 0 189 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.952 114.3 39.6 -59.5 -50.8 -9.8 -0.5 -55.7 392 208 B F H > S+ 0 0 93 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.878 114.4 53.5 -68.2 -37.5 -8.6 -3.5 -57.8 393 209 B A H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.916 109.6 48.3 -64.2 -41.8 -8.4 -5.8 -54.7 394 210 B R H X S+ 0 0 135 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.877 110.8 52.1 -65.7 -36.3 -12.1 -5.0 -53.9 395 211 B E H X>S+ 0 0 60 -4,-1.8 4,-2.3 -5,-0.2 5,-0.7 0.956 109.6 48.4 -60.4 -51.5 -13.0 -5.6 -57.5 396 212 B I H X5S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -18,-0.4 0.908 119.4 39.1 -56.9 -44.2 -11.3 -9.0 -57.5 397 213 B F H <5S+ 0 0 89 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.922 120.0 42.0 -73.2 -45.2 -13.0 -10.0 -54.2 398 214 B F H <5S+ 0 0 160 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.865 123.6 32.3 -77.8 -39.7 -16.5 -8.5 -54.8 399 215 B L H <5S- 0 0 98 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.764 87.1-150.2 -87.8 -27.7 -17.2 -9.4 -58.4 400 216 B G << + 0 0 29 -4,-0.8 -4,-0.1 -5,-0.7 -3,-0.1 0.844 33.1 166.4 61.3 35.0 -15.3 -12.7 -58.3 401 217 B R - 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0 0 83 -2,-0.3 3,-1.5 -49,-0.2 4,-0.5 -0.421 43.0-117.8 -59.5 138.6 4.7 -19.1 -72.3 420 236 B H G >4 S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.898 113.2 50.0 -47.8 -53.3 3.1 -22.1 -70.7 421 237 B A G 34 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.715 116.2 44.0 -61.1 -21.3 5.8 -24.6 -71.9 422 238 B E G <> S+ 0 0 75 -3,-1.5 4,-2.8 1,-0.1 5,-0.3 0.338 80.3 106.5-105.9 4.4 8.5 -22.2 -70.6 423 239 B L H S+ 0 0 6 -4,-0.3 4,-2.7 -185,-0.2 -1,-0.2 0.841 112.9 57.6 -77.7 -31.4 9.4 -23.5 -65.2 425 241 B T H > S+ 0 0 70 2,-0.2 4,-1.9 -4,-0.2 -2,-0.2 0.934 110.7 43.8 -59.8 -45.9 12.3 -22.6 -67.4 426 242 B V H X S+ 0 0 29 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.910 111.1 54.8 -65.2 -43.1 11.7 -18.9 -66.6 427 243 B G H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.911 109.0 47.9 -55.0 -44.4 11.1 -19.8 -63.0 428 244 B L H X S+ 0 0 23 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.861 110.3 52.2 -65.6 -36.3 14.5 -21.4 -62.9 429 245 B Q H X S+ 0 0 105 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.914 111.1 46.7 -66.1 -43.1 16.1 -18.4 -64.6 430 246 B W H X S+ 0 0 75 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.918 112.4 50.3 -62.2 -44.5 14.6 -16.1 -62.0 431 247 B A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.891 106.8 55.9 -59.5 -41.0 15.8 -18.4 -59.2 432 248 B A H X S+ 0 0 45 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.889 107.2 48.4 -60.2 -41.2 19.3 -18.4 -60.8 433 249 B E H X S+ 0 0 139 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.893 112.5 49.2 -66.6 -39.3 19.4 -14.6 -60.6 434 250 B I H X S+ 0 0 43 -4,-2.0 4,-0.9 1,-0.2 3,-0.3 0.939 112.2 47.0 -63.5 -48.5 18.3 -14.6 -57.0 435 251 B N H < S+ 0 0 39 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.781 109.4 55.3 -66.3 -27.0 20.8 -17.3 -56.0 436 252 B A H < S+ 0 0 84 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.835 108.6 47.1 -73.2 -33.5 23.6 -15.3 -57.9 437 253 B K H < 0 0 92 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.635 360.0 360.0 -80.5 -14.8 22.8 -12.2 -55.8 438 254 B S < 0 0 128 -4,-0.9 -3,-0.0 -5,-0.1 -135,-0.0 -0.389 360.0 360.0 -63.1 360.0 22.8 -14.3 -52.7