==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JAN-09 3FS2 . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS; . AUTHOR SSGCID,SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS . 507 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 3.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 32 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 1 3 0 4 0 2 0 0 1 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 8 4 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 PARALLEL BRIDGES PER LADDER . 0 2 1 1 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 . 6 0 0 0 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 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 T 0 0 142 0, 0.0 2,-0.2 0, 0.0 182,-0.1 0.000 360.0 360.0 360.0 61.7 23.7 78.4 -8.0 2 4 A A - 0 0 23 180,-0.4 2,-0.4 152,-0.1 152,-0.2 -0.612 360.0-101.4 -91.4 154.0 24.6 75.0 -9.3 3 5 A N - 0 0 65 150,-3.6 152,-0.3 -2,-0.2 -1,-0.0 -0.688 23.6-151.6 -69.2 126.3 26.7 74.4 -12.5 4 6 A S S S+ 0 0 79 -2,-0.4 11,-0.5 1,-0.2 2,-0.5 0.709 90.8 46.7 -76.1 -20.9 24.1 73.3 -15.2 5 7 A T S S- 0 0 65 9,-0.1 2,-0.6 10,-0.1 9,-0.2 -0.993 75.3-169.3-116.0 124.0 27.0 71.3 -16.8 6 8 A V E -A 13 0A 0 7,-3.3 7,-3.1 -2,-0.5 2,-0.5 -0.967 4.2-164.0-115.0 115.3 29.0 69.2 -14.3 7 9 A K E +A 12 0A 113 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.894 10.3 177.0-101.3 123.0 32.2 67.7 -15.8 8 10 A V E > -A 11 0A 9 3,-3.2 3,-2.2 -2,-0.5 -2,-0.0 -0.917 61.2 -58.0-129.7 108.2 33.8 64.9 -13.9 9 11 A G T 3 S- 0 0 57 -2,-0.4 73,-0.1 1,-0.3 -1,-0.1 -0.372 122.9 -13.8 56.1-131.5 36.9 63.4 -15.5 10 12 A N T 3 S+ 0 0 113 71,-0.4 2,-0.4 42,-0.1 -1,-0.3 0.382 121.8 92.9 -79.5 7.4 35.8 62.2 -19.0 11 13 A V E < -A 8 0A 0 -3,-2.2 -3,-3.2 40,-0.1 2,-0.5 -0.837 55.4-161.1-112.3 135.0 32.1 62.5 -18.1 12 14 A T E -A 7 0A 55 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.965 3.1-165.6-112.1 127.0 29.7 65.4 -18.7 13 15 A F E +A 6 0A 0 -7,-3.1 -7,-3.3 -2,-0.5 2,-0.3 -0.974 27.6 136.9-108.3 122.3 26.4 65.7 -16.9 14 16 A S > - 0 0 10 -2,-0.5 3,-1.7 203,-0.3 -9,-0.1 -0.902 58.8-126.4-157.5 142.4 23.8 68.2 -18.2 15 17 A N T 3 S+ 0 0 43 -11,-0.5 -10,-0.1 1,-0.3 4,-0.1 0.727 117.8 47.7 -57.8 -16.6 20.0 68.1 -18.7 16 18 A S T 3 S+ 0 0 100 -12,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.547 100.2 79.8 -96.3 -13.2 21.0 69.2 -22.3 17 19 A A S < S- 0 0 18 -3,-1.7 -3,-0.1 1,-0.2 199,-0.1 -0.488 95.6 -79.1 -97.4 164.1 23.7 66.7 -23.0 18 20 A P - 0 0 89 0, 0.0 -4,-0.2 0, 0.0 -1,-0.2 -0.355 68.0 -82.6 -56.2 141.5 23.4 63.0 -24.0 19 21 A L - 0 0 3 231,-0.1 32,-0.5 -6,-0.1 2,-0.3 -0.139 43.8-155.7 -39.2 138.0 22.6 60.8 -21.0 20 22 A A E -b 218 0B 2 197,-1.6 199,-2.2 30,-0.2 2,-0.4 -0.808 11.8-130.5-114.6 158.8 25.5 59.6 -18.8 21 23 A L E -bc 219 52B 0 30,-2.7 32,-2.6 -2,-0.3 2,-0.6 -0.963 16.3-169.6-120.4 124.6 25.4 56.5 -16.6 22 24 A I E +bc 220 53B 1 197,-3.1 199,-2.5 -2,-0.4 2,-0.3 -0.985 37.3 155.5 -98.2 120.3 26.3 55.9 -13.0 23 25 A A E +bc 221 54B 1 30,-2.1 32,-1.7 -2,-0.6 199,-0.2 -0.995 4.7 105.9-150.8 153.2 26.3 52.2 -12.6 24 26 A G E -b 222 0B 0 197,-1.1 199,-1.8 -2,-0.3 32,-0.2 -0.913 65.0 -56.6 161.2 175.4 27.8 49.4 -10.6 25 27 A P - 0 0 0 0, 0.0 32,-0.2 0, 0.0 199,-0.1 -0.401 48.7-118.0 -70.9 162.5 26.9 46.8 -7.9 26 28 A C S S+ 0 0 12 206,-0.3 31,-2.6 1,-0.2 2,-0.4 0.986 97.3 31.2 -63.9 -57.2 25.4 48.1 -4.7 27 29 A Q B S-j 57 0C 20 205,-0.3 2,-0.2 29,-0.2 31,-0.2 -0.851 84.8-118.4-107.5 137.5 28.3 46.8 -2.6 28 30 A M + 0 0 8 29,-3.2 3,-0.1 -2,-0.4 2,-0.1 -0.537 40.1 174.1 -65.3 134.2 31.9 46.4 -3.5 29 31 A E - 0 0 60 1,-0.5 -1,-0.1 -2,-0.2 27,-0.0 0.100 47.0 -15.0-112.5-133.3 32.8 42.7 -3.2 30 32 A T > - 0 0 80 1,-0.1 4,-2.3 -2,-0.1 -1,-0.5 -0.279 63.5-114.1 -67.9 159.1 36.1 41.2 -4.2 31 33 A R H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 119.6 56.5 -55.8 -41.8 38.6 43.0 -6.3 32 34 A D H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 108.7 45.4 -51.4 -50.8 37.9 40.3 -9.0 33 35 A H H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.896 111.0 52.6 -67.5 -41.7 34.3 41.1 -9.0 34 36 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.947 111.5 46.2 -57.9 -49.8 34.9 44.9 -9.1 35 37 A F H X S+ 0 0 37 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.889 113.1 49.9 -65.2 -38.3 37.1 44.6 -12.1 36 38 A E H X S+ 0 0 95 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.954 114.5 43.2 -63.8 -50.3 34.7 42.2 -13.9 37 39 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.921 117.2 46.1 -59.6 -47.2 31.7 44.5 -13.3 38 40 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.899 112.1 51.6 -65.9 -41.6 33.6 47.7 -14.2 39 41 A G H X S+ 0 0 20 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.925 112.2 45.4 -59.6 -45.8 35.1 46.1 -17.3 40 42 A R H X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.916 114.5 48.0 -67.1 -42.2 31.7 45.0 -18.6 41 43 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.884 112.4 49.5 -64.5 -40.3 30.1 48.4 -17.8 42 44 A K H X S+ 0 0 66 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.937 110.9 50.0 -65.2 -44.9 33.0 50.2 -19.6 43 45 A E H X S+ 0 0 124 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.931 113.0 44.5 -58.2 -46.6 32.8 48.0 -22.7 44 46 A M H X S+ 0 0 17 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.879 118.0 43.8 -72.9 -33.5 29.0 48.5 -23.1 45 47 A T H X>S+ 0 0 2 -4,-2.0 5,-2.2 -5,-0.2 4,-1.2 0.841 109.6 56.5 -77.8 -39.0 29.1 52.2 -22.5 46 48 A D H ><5S+ 0 0 90 -4,-2.9 3,-0.6 -5,-0.2 -2,-0.2 0.924 107.9 49.9 -50.0 -48.3 32.2 52.7 -24.7 47 49 A K H 3<5S+ 0 0 170 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.777 115.3 42.3 -64.7 -30.2 30.3 51.1 -27.6 48 50 A L H 3<5S- 0 0 57 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.556 109.4-116.7 -94.2 -14.7 27.3 53.3 -27.1 49 51 A G T <<5 + 0 0 68 -4,-1.2 2,-0.4 -3,-0.6 -3,-0.2 0.729 65.4 144.7 80.7 25.3 29.2 56.6 -26.5 50 52 A I < - 0 0 9 -5,-2.2 -1,-0.3 -6,-0.1 -30,-0.2 -0.790 51.0-124.2 -98.6 130.5 27.8 56.9 -23.0 51 53 A G - 0 0 23 -32,-0.5 -30,-2.7 -2,-0.4 2,-0.4 -0.515 30.2-148.8 -70.6 142.2 30.0 58.4 -20.2 52 54 A L E -c 21 0B 8 -32,-0.2 2,-0.5 -2,-0.2 -30,-0.2 -0.975 21.4-173.9-119.6 132.7 30.4 56.1 -17.2 53 55 A V E -c 22 0B 0 -32,-2.6 -30,-2.1 -2,-0.4 2,-0.4 -0.991 26.3-141.0-112.8 121.3 30.8 56.7 -13.5 54 56 A Y E -cd 23 84B 0 29,-2.1 31,-1.9 -2,-0.5 2,-0.3 -0.709 21.9-165.4 -89.0 135.8 31.5 53.4 -11.7 55 57 A K E + d 0 85B 1 -32,-1.7 2,-0.3 -2,-0.4 31,-0.2 -0.835 20.2 151.4-123.8 149.7 29.8 53.1 -8.3 56 58 A S - 0 0 0 29,-1.5 2,-0.3 -2,-0.3 -29,-0.2 -0.830 31.7-132.0-167.6 146.6 30.1 50.9 -5.3 57 59 A S B -j 27 0C 4 -31,-2.6 -29,-3.2 -2,-0.3 3,-0.1 -0.716 12.9-175.0 -94.9 151.9 29.4 51.2 -1.6 58 60 A F + 0 0 9 29,-0.3 7,-1.4 -2,-0.3 2,-0.4 0.460 70.0 76.9-120.9 -22.1 32.0 50.0 1.0 59 61 A D - 0 0 41 28,-0.2 3,-0.2 5,-0.1 28,-0.1 -0.902 69.7-156.8 -99.4 136.7 29.8 50.7 4.1 60 62 A K + 0 0 142 -2,-0.4 2,-0.1 1,-0.3 -1,-0.1 0.623 31.1 166.4 -76.1 -37.1 27.3 48.1 4.4 61 63 A A 0 0 15 -3,-0.0 311,-1.2 0, 0.0 -1,-0.3 -0.745 360.0 360.0-139.0 -38.4 25.3 49.9 6.1 62 64 A N 0 0 59 308,-0.2 308,-0.1 -3,-0.2 306,-0.0 -0.596 360.0 360.0 -68.2 360.0 21.7 49.2 6.9 63 ! 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 64 74 A I 0 0 63 0, 0.0 4,-0.3 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 -26.8 34.7 45.7 2.3 65 75 A G > - 0 0 35 -7,-1.4 4,-2.1 3,-0.1 5,-0.2 0.063 360.0 -88.1 95.3 151.1 35.7 48.6 4.4 66 76 A L H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.889 119.0 52.1 -60.9 -45.5 37.1 52.1 3.4 67 77 A E H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.944 115.3 39.4 -63.2 -53.7 40.8 51.3 3.3 68 78 A K H > S+ 0 0 113 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.888 114.7 54.7 -58.2 -43.7 40.5 48.3 0.9 69 79 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.887 105.0 52.6 -64.9 -37.7 37.8 49.9 -1.1 70 80 A L H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.872 108.3 51.3 -68.3 -34.0 39.9 53.0 -1.8 71 81 A E H X S+ 0 0 51 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.927 112.3 45.7 -62.8 -48.4 42.7 50.8 -3.1 72 82 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.939 112.7 50.2 -62.2 -47.5 40.4 49.0 -5.4 73 83 A F H X S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.932 110.6 51.0 -55.2 -46.7 38.8 52.3 -6.6 74 84 A S H X S+ 0 0 32 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.937 112.3 45.4 -57.7 -45.5 42.4 53.6 -7.2 75 85 A D H X S+ 0 0 54 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.853 110.6 53.7 -68.4 -36.1 43.3 50.6 -9.3 76 86 A L H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.4 0.913 109.7 48.3 -58.9 -46.1 40.1 50.6 -11.2 77 87 A K H X S+ 0 0 53 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.870 111.2 50.4 -62.3 -40.6 40.7 54.2 -12.2 78 88 A K H < S+ 0 0 169 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.906 118.6 38.2 -64.5 -41.0 44.3 53.4 -13.2 79 89 A E H < S+ 0 0 128 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.889 132.7 21.8 -75.9 -42.0 43.0 50.5 -15.4 80 90 A Y H < S- 0 0 47 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.628 84.9-137.4-110.4 -19.1 39.8 52.0 -16.8 81 91 A G < + 0 0 47 -4,-2.0 -71,-0.4 -5,-0.4 -4,-0.2 0.529 56.5 129.4 75.2 8.4 40.1 55.8 -16.6 82 92 A F - 0 0 8 -6,-0.3 -1,-0.2 1,-0.1 -29,-0.1 -0.523 61.5-108.6 -91.0 157.3 36.6 56.5 -15.4 83 93 A P - 0 0 2 0, 0.0 -29,-2.1 0, 0.0 2,-0.3 -0.445 36.7-143.7 -73.4 162.4 35.5 58.6 -12.4 84 94 A V E -d 54 0B 0 -31,-0.2 19,-1.8 16,-0.2 18,-0.5 -0.870 10.1-156.5-130.5 163.2 34.1 56.7 -9.5 85 95 A L E +de 55 103B 0 -31,-1.9 -29,-1.5 -2,-0.3 2,-0.3 -0.991 13.5 167.1-139.0 142.4 31.3 57.2 -6.9 86 96 A T E - e 0 104B 0 17,-1.6 19,-2.3 -2,-0.3 2,-0.3 -0.982 34.5-105.9-149.6 160.1 30.6 56.0 -3.4 87 97 A D E - e 0 105B 21 -2,-0.3 2,-0.3 17,-0.2 -29,-0.3 -0.649 27.7-156.4 -87.9 146.1 28.3 56.9 -0.6 88 98 A I + 0 0 0 17,-2.4 3,-0.1 -2,-0.3 32,-0.0 -0.879 15.9 179.3-122.5 150.9 29.4 58.7 2.5 89 99 A H + 0 0 31 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.551 65.0 36.6-128.6 -16.8 27.8 58.7 5.9 90 100 A T S > S- 0 0 43 1,-0.1 4,-1.7 26,-0.1 -1,-0.2 -0.933 77.4-113.8-136.9 162.2 30.0 60.8 8.2 91 101 A E H > S+ 0 0 102 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.910 119.4 53.9 -58.8 -40.4 32.1 64.0 8.0 92 102 A E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 104.8 54.8 -64.4 -35.3 35.2 61.9 8.6 93 103 A Q H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.890 103.3 55.2 -67.0 -39.6 34.2 59.6 5.7 94 104 A C H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.917 112.2 42.6 -57.6 -47.1 34.0 62.5 3.2 95 105 A A H < S+ 0 0 68 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.1 52.8 -66.1 -35.8 37.6 63.6 4.1 96 106 A A H < S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 117.9 33.6 -72.5 -35.6 38.8 60.0 4.0 97 107 A V H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-1.7 0.729 96.6 85.5 -94.7 -19.8 37.5 59.1 0.5 98 108 A A T 3< S+ 0 0 14 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.786 78.8 64.4 -54.6 -34.3 37.9 62.5 -1.2 99 109 A P T 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.834 122.8 16.9 -58.1 -31.1 41.5 61.9 -2.2 100 110 A V T <4 S+ 0 0 32 -3,-1.7 2,-0.4 -4,-0.2 -2,-0.2 0.755 108.1 81.1-108.3 -38.1 40.4 59.0 -4.5 101 111 A V < - 0 0 0 -4,-2.9 -16,-0.1 1,-0.1 3,-0.1 -0.632 53.1-163.3 -89.6 128.7 36.6 59.3 -5.1 102 112 A D S S+ 0 0 20 -18,-0.5 24,-1.7 -2,-0.4 2,-0.5 0.781 77.6 36.5 -75.8 -35.6 35.4 61.7 -7.8 103 113 A V E S-ef 85 126B 0 -19,-1.8 -17,-1.6 22,-0.2 2,-0.5 -0.971 70.2-155.4-127.5 112.4 31.7 61.9 -6.8 104 114 A L E -ef 86 127B 0 22,-2.9 24,-2.9 -2,-0.5 2,-0.5 -0.780 14.9-150.0 -86.4 134.3 30.6 61.8 -3.2 105 115 A Q E -ef 87 128B 3 -19,-2.3 -17,-2.4 -2,-0.5 24,-0.2 -0.904 7.6-150.9-110.0 128.0 27.0 60.5 -2.7 106 116 A I E - f 0 129B 0 22,-2.7 24,-2.5 -2,-0.5 -17,-0.1 -0.862 29.6-127.0 -91.7 114.4 24.7 61.6 0.1 107 117 A P > - 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.160 20.8-108.6 -58.7 155.8 22.3 58.6 0.8 108 118 A A G > S+ 0 0 9 1,-0.3 3,-1.3 2,-0.2 24,-0.2 0.883 118.4 54.2 -55.9 -41.3 18.6 59.2 0.7 109 119 A F G 3 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.695 112.4 44.6 -68.5 -18.4 18.3 58.8 4.5 110 120 A L G X S+ 0 0 10 -3,-1.4 3,-2.1 1,-0.1 -1,-0.3 0.320 77.0 108.6-106.5 10.9 21.0 61.4 5.1 111 121 A C T < S+ 0 0 0 -3,-1.3 -1,-0.1 -4,-0.4 -2,-0.1 0.636 81.4 48.0 -70.3 -14.1 19.8 64.1 2.6 112 122 A R T 3 S+ 0 0 80 -3,-0.2 2,-1.5 -4,-0.2 -1,-0.3 0.406 79.2 110.6 -98.6 1.5 18.6 66.4 5.4 113 123 A Q X> - 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0 0 18 -2,-0.4 2,-1.0 -10,-0.2 3,-0.0 -0.893 14.2-159.8-104.7 105.4 8.0 57.9 -9.3 172 182 A D > - 0 0 26 -2,-0.7 3,-2.3 1,-0.2 4,-0.3 -0.766 3.5-159.1 -84.7 102.9 6.4 61.4 -9.8 173 183 A M T > S+ 0 0 40 -2,-1.0 3,-1.2 1,-0.3 -1,-0.2 0.708 86.1 73.1 -60.1 -18.0 7.8 62.3 -13.2 174 184 A R T 3> S+ 0 0 159 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.688 81.3 73.9 -66.5 -21.6 7.1 66.0 -12.4 175 185 A A H <> S+ 0 0 0 -3,-2.3 4,-2.5 2,-0.2 5,-0.3 0.814 88.9 61.4 -56.3 -29.4 10.1 65.8 -10.0 176 186 A L H <> S+ 0 0 2 -3,-1.2 4,-2.5 -4,-0.3 -2,-0.2 0.979 108.6 35.6 -70.7 -56.7 12.3 65.8 -13.0 177 187 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.871 117.6 56.3 -61.0 -36.4 11.5 69.2 -14.5 178 188 A I H < S+ 0 0 58 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.953 112.6 38.5 -58.7 -55.0 11.1 70.6 -11.0 179 189 A M H ><>S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 5,-0.7 0.887 112.8 57.1 -62.8 -37.2 14.6 69.7 -9.9 180 190 A A H ><5S+ 0 0 31 -4,-2.5 3,-2.1 -5,-0.3 -1,-0.2 0.871 98.8 62.5 -60.9 -33.7 16.0 70.6 -13.3 181 191 A G T 3<5S+ 0 0 68 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.635 91.6 66.0 -66.5 -15.3 14.5 74.1 -12.7 182 192 A L T < 5S- 0 0 49 -3,-1.6 -180,-0.4 -4,-0.3 -1,-0.3 0.579 117.3-114.6 -80.2 -10.0 16.9 74.3 -9.8 183 193 A G T < 5S+ 0 0 26 -3,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.317 76.5 115.5 95.1 -6.6 19.7 74.3 -12.2 184 194 A A S + i 0 220B 0 -30,-2.7 4,-1.6 -2,-0.6 32,-0.2 -0.754 16.1 178.2 -90.4 94.8 17.7 56.0 -10.2 190 200 A A H > S+ 0 0 0 30,-1.5 4,-0.6 -2,-1.0 -1,-0.2 0.861 73.7 52.4 -69.3 -36.3 15.8 53.3 -11.9 191 201 A T H 4 S+ 0 0 0 29,-0.7 3,-0.3 1,-0.2 4,-0.2 0.876 114.4 37.3 -75.4 -37.1 16.6 50.5 -9.6 192 202 A H H >4 S+ 0 0 24 28,-0.2 3,-1.0 1,-0.2 -1,-0.2 0.784 106.2 67.8 -83.1 -25.2 15.6 52.1 -6.2 193 203 A S H 3< S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 104.3 44.4 -64.8 -22.8 12.6 53.9 -7.7 194 204 A V T 3< S+ 0 0 18 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.506 88.6 119.0 -92.0 -9.9 10.9 50.5 -8.2 195 205 A Q < - 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0 0 64 -3,-1.2 -26,-0.5 -4,-0.2 -3,-0.1 -0.117 54.2-144.9 -50.1 143.5 5.0 68.1 11.7 453 206 B Q - 0 0 158 -28,-0.1 -28,-0.2 0, 0.0 -1,-0.1 -0.881 28.9-137.8-105.3 91.3 4.7 69.6 8.2 454 207 B P 0 0 9 0, 0.0 -318,-0.1 0, 0.0 0, 0.0 -0.257 360.0 360.0 -60.9 132.4 8.0 68.3 6.7 455 208 B G 0 0 88 -320,-0.1 -317,-0.0 -316,-0.0 -313,-0.0 0.981 360.0 360.0 76.1 360.0 9.9 70.9 4.6 456 ! 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 0.0 457 217 B Q > 0 0 62 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 2.7 0.8 72.5 13.6 458 218 B R G > + 0 0 50 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.736 360.0 76.5 -63.0 -24.6 1.0 72.7 17.4 459 219 B E G 3 S+ 0 0 84 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.692 94.3 47.6 -49.4 -31.3 -2.8 73.0 17.3 460 220 B F G <> S+ 0 0 127 -3,-2.3 4,-2.6 1,-0.2 5,-0.3 0.348 82.1 93.6-101.8 1.6 -3.2 69.3 16.5 461 221 B V H <> S+ 0 0 4 -3,-1.3 4,-2.6 -4,-0.2 5,-0.2 0.943 89.7 45.6 -62.4 -46.7 -0.9 67.9 19.2 462 222 B E H > S+ 0 0 65 -4,-0.4 4,-2.7 2,-0.2 5,-0.3 0.915 111.8 54.2 -60.3 -43.6 -3.8 67.5 21.7 463 223 B T H > S+ 0 0 80 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.948 113.1 40.0 -54.0 -53.8 -5.9 65.9 19.0 464 224 B L H X S+ 0 0 34 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.882 115.2 52.9 -67.4 -39.6 -3.4 63.3 18.1 465 225 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.908 108.9 48.6 -62.1 -46.4 -2.5 62.7 21.7 466 226 B R H X S+ 0 0 103 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.920 112.9 48.5 -58.1 -45.5 -6.1 62.1 22.8 467 227 B A H X S+ 0 0 36 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.946 113.4 46.9 -58.7 -48.7 -6.6 59.7 19.9 468 228 B A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.916 111.4 49.9 -63.6 -47.3 -3.3 57.7 20.7 469 229 B V H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.891 108.9 52.0 -61.6 -38.3 -4.0 57.5 24.4 470 230 B A H < S+ 0 0 57 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.851 111.1 49.1 -67.9 -34.2 -7.6 56.1 23.9 471 231 B V H < S- 0 0 69 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.951 125.4-100.4 -65.5 -45.0 -6.2 53.5 21.5 472 232 B G < + 0 0 19 -4,-2.6 2,-0.3 -5,-0.1 -3,-0.1 0.259 47.3 175.6 120.7 113.2 -3.5 52.5 24.1 473 233 B V - 0 0 0 -4,-0.3 -29,-0.2 -193,-0.1 3,-0.1 -0.965 35.0-133.6-137.8 150.9 0.1 53.4 24.4 474 234 B A S S- 0 0 0 -31,-2.2 -191,-1.7 -2,-0.3 2,-0.3 0.783 85.7 -14.3 -68.9 -32.3 2.9 52.7 26.9 475 235 B G E -nu 283 444G 0 -32,-1.6 -30,-2.6 -193,-0.3 2,-0.4 -0.993 56.2-114.9-165.0 172.9 3.9 56.3 26.8 476 236 B F E -nu 284 445G 0 -193,-2.1 -191,-3.2 -2,-0.3 2,-0.5 -0.928 15.5-159.3-119.5 137.7 3.9 59.8 25.4 477 237 B F E +nu 285 446G 0 -32,-2.6 -30,-1.5 -2,-0.4 -29,-0.7 -0.985 22.3 168.9-115.8 122.1 6.9 61.6 23.9 478 238 B I E -n 286 0G 0 -193,-2.3 -191,-1.1 -2,-0.5 2,-0.4 -0.986 27.9-144.2-141.4 125.3 6.5 65.4 23.9 479 239 B E E +n 287 0G 14 -2,-0.4 12,-2.7 -193,-0.2 2,-0.3 -0.783 31.3 175.8 -85.5 135.1 9.0 68.1 23.2 480 240 B T E +x 491 0J 0 -193,-1.9 2,-0.3 -2,-0.4 -191,-0.1 -0.971 13.6 175.9-146.3 150.5 8.3 71.1 25.3 481 241 B H E -x 492 0J 6 10,-1.4 12,-1.9 -2,-0.3 13,-0.2 -0.984 38.2-121.3-153.8 155.5 9.9 74.5 26.0 482 242 B E S S+ 0 0 71 -2,-0.3 12,-0.1 1,-0.3 -1,-0.1 0.791 114.0 17.2 -73.1 -25.2 9.1 77.7 28.0 483 243 B D S > S+ 0 0 67 1,-0.1 3,-2.4 9,-0.0 -1,-0.3 -0.522 72.0 179.0-144.7 71.2 9.2 79.9 24.9 484 244 B P G > S+ 0 0 36 0, 0.0 3,-0.7 0, 0.0 6,-0.2 0.628 76.9 63.8 -59.8 -16.9 8.9 77.5 21.9 485 245 B D G 3 S+ 0 0 149 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.764 110.0 37.5 -74.0 -27.1 9.0 80.5 19.4 486 246 B N G < 0 0 125 -3,-2.4 -1,-0.2 1,-0.1 -3,-0.0 0.024 360.0 360.0-110.9 27.3 12.6 81.4 20.4 487 247 B A < 0 0 71 -3,-0.7 -2,-0.1 -4,-0.1 -1,-0.1 0.903 360.0 360.0 -93.1 360.0 13.9 77.8 20.9 488 ! 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 0.0 489 253 B N 0 0 101 0, 0.0 -10,-0.1 0, 0.0 -38,-0.1 0.000 360.0 360.0 360.0 -86.2 6.9 72.4 17.1 490 254 B M - 0 0 22 -6,-0.2 -10,-0.3 1,-0.1 -32,-0.1 -0.304 360.0-120.1 -79.3 144.4 7.2 72.2 20.9 491 255 B V E -x 480 0J 11 -12,-2.7 -10,-1.4 1,-0.1 -1,-0.1 -0.698 38.6-112.2 -73.6 127.3 4.2 72.3 23.4 492 256 B P E > -x 481 0J 45 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.397 24.1-123.7 -56.9 138.7 4.7 75.3 25.7 493 257 B I G > S+ 0 0 2 -12,-1.9 3,-1.5 1,-0.3 -11,-0.1 0.856 110.0 63.2 -56.4 -33.2 5.5 74.0 29.1 494 258 B D G 3 S+ 0 0 106 1,-0.3 4,-0.3 -13,-0.2 -1,-0.3 0.663 100.5 54.8 -70.1 -10.7 2.5 75.9 30.6 495 259 B K G <> S+ 0 0 131 -3,-2.1 4,-1.7 1,-0.1 -1,-0.3 0.532 89.9 80.2 -92.3 -9.7 0.2 73.8 28.4 496 260 B M H <> S+ 0 0 0 -3,-1.5 4,-3.1 -4,-0.5 5,-0.3 0.896 83.7 54.2 -69.4 -43.5 1.5 70.5 29.7 497 261 B P H > S+ 0 0 54 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.953 112.7 43.9 -61.8 -43.6 -0.3 70.1 33.0 498 262 B A H > S+ 0 0 52 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.902 116.9 46.9 -61.7 -44.3 -3.8 70.5 31.3 499 263 B L H X S+ 0 0 9 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.970 113.5 47.4 -64.5 -51.6 -2.9 68.2 28.4 500 264 B L H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.859 109.1 53.7 -59.6 -39.8 -1.4 65.5 30.7 501 265 B E H X S+ 0 0 129 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.944 111.3 46.4 -61.9 -42.3 -4.4 65.6 33.0 502 266 B K H X S+ 0 0 78 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.923 112.1 50.4 -61.4 -45.8 -6.7 65.0 30.1 503 267 B L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.908 108.0 53.2 -65.9 -37.0 -4.5 62.2 28.7 504 268 B M H X S+ 0 0 36 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.862 106.0 53.6 -64.6 -34.9 -4.4 60.5 32.1 505 269 B A H X S+ 0 0 66 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.933 113.2 42.4 -65.9 -46.5 -8.3 60.5 32.3 506 270 B F H X S+ 0 0 72 -4,-1.9 4,-2.9 1,-0.2 3,-0.3 0.926 111.3 57.8 -63.6 -39.6 -8.5 58.8 28.9 507 271 B D H X S+ 0 0 4 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.853 99.0 58.0 -59.1 -38.8 -5.6 56.4 29.8 508 272 B R H X S+ 0 0 194 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.926 112.3 40.4 -62.9 -40.4 -7.4 55.1 32.8 509 273 B I H >X S+ 0 0 108 -4,-1.1 3,-1.4 -3,-0.3 4,-0.8 0.959 115.1 50.9 -69.3 -53.2 -10.3 54.0 30.7 510 274 B A H >< S+ 0 0 19 -4,-2.9 3,-0.7 1,-0.3 -2,-0.2 0.871 110.5 49.7 -54.3 -41.8 -8.1 52.7 27.8 511 275 B K H 3< S+ 0 0 45 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.622 108.4 52.7 -78.2 -11.3 -6.0 50.6 30.2 512 276 B A H << 0 0 83 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.561 360.0 360.0 -93.8 -10.2 -8.9 48.9 31.9 513 277 B L << 0 0 176 -4,-0.8 -3,-0.0 -3,-0.7 -4,-0.0 -0.203 360.0 360.0 -88.4 360.0 -10.7 47.7 28.8