==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-SEP-09 3JR1 . COMPND 2 MOLECULE: PUTATIVE FRUCTOSAMINE-3-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS SOMNUS 129PT; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 591 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 15.2 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 . 8 1.4 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 . 2 0.3 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 . 33 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 0 0 0 2 2 0 2 3 1 1 3 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 0 4 2 4 2 2 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 . 2 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 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 -5 A N >> 0 0 115 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 71.1 78.0 33.0 10.9 2 -4 A L H 3> + 0 0 148 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.843 360.0 47.3 -48.3 -51.1 78.9 35.0 14.1 3 -3 A Y H 3> S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.809 106.8 59.6 -64.9 -30.4 75.7 37.1 14.4 4 -2 A F H <> S+ 0 0 48 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.896 102.7 51.7 -67.1 -40.6 73.6 34.0 13.8 5 -1 A Q H X S+ 0 0 73 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.919 108.6 51.6 -61.8 -40.6 75.1 32.5 17.0 6 0 A G H X S+ 0 0 26 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.871 106.4 55.5 -63.0 -36.5 74.2 35.6 18.9 7 1 A X H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.921 105.8 49.0 -63.8 -46.3 70.7 35.3 17.7 8 2 A W H X S+ 0 0 18 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.914 110.0 53.3 -62.0 -38.3 70.2 31.8 19.0 9 3 A K H X S+ 0 0 77 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.924 108.8 48.2 -60.3 -46.1 71.6 32.9 22.4 10 4 A S H X S+ 0 0 27 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.875 111.4 51.0 -62.5 -38.9 69.1 35.7 22.6 11 5 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.935 108.9 50.6 -64.5 -46.0 66.2 33.3 21.6 12 6 A S H X S+ 0 0 8 -4,-2.9 4,-2.3 1,-0.2 11,-0.6 0.930 111.0 50.7 -56.4 -43.4 67.4 30.8 24.4 13 7 A Q H X S+ 0 0 93 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.887 110.8 46.1 -61.7 -44.7 67.3 33.7 26.8 14 8 A V H X S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.900 114.5 49.0 -66.5 -39.3 63.8 34.9 25.9 15 9 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.842 107.3 56.1 -68.4 -31.6 62.6 31.3 26.1 16 10 A A H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.927 107.5 47.4 -64.8 -45.8 64.3 30.8 29.5 17 11 A E H < S+ 0 0 130 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.913 115.3 48.5 -59.8 -44.6 62.3 33.8 30.9 18 12 A Q H < S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.941 121.7 29.4 -62.8 -54.4 59.1 32.3 29.4 19 13 A F H < S- 0 0 75 -4,-2.8 -1,-0.2 2,-0.3 -2,-0.2 0.665 100.7-124.9 -86.2 -17.6 59.4 28.7 30.6 20 14 A G S < S+ 0 0 55 -4,-2.3 2,-0.3 -5,-0.3 -4,-0.1 -0.121 86.3 73.1 101.4 -38.7 61.4 29.3 33.8 21 15 A A S S- 0 0 33 -6,-0.2 -2,-0.3 1,-0.1 -1,-0.2 -0.798 97.8 -90.5-106.4 153.1 64.2 26.9 33.0 22 16 A Y - 0 0 22 -2,-0.3 2,-0.9 -3,-0.1 -9,-0.1 -0.342 37.7-126.2 -61.8 144.4 66.9 27.7 30.4 23 17 A Y - 0 0 1 -11,-0.6 2,-0.9 -12,-0.1 -7,-0.1 -0.818 19.9-163.7 -99.1 97.4 66.1 26.6 26.9 24 18 A F - 0 0 14 -2,-0.9 2,-0.4 20,-0.2 517,-0.0 -0.749 19.0-136.6 -83.8 107.6 69.0 24.4 25.5 25 19 A I + 0 0 35 -2,-0.9 19,-0.2 1,-0.2 3,-0.1 -0.491 33.0 166.7 -65.5 119.0 68.4 24.3 21.8 26 20 A K + 0 0 42 17,-2.9 2,-0.3 -2,-0.4 18,-0.2 0.750 63.4 22.0-106.5 -32.5 69.0 20.6 20.6 27 21 A H E -A 43 0A 89 16,-2.1 16,-2.3 2,-0.0 2,-0.4 -0.997 60.9-175.9-137.3 142.4 67.6 20.6 17.0 28 22 A K E -A 42 0A 119 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.997 0.7-176.8-141.9 133.7 67.0 23.4 14.5 29 23 A E E -A 41 0A 116 12,-3.2 12,-2.8 -2,-0.4 2,-0.6 -0.989 18.9-141.8-134.8 124.7 65.4 23.2 11.0 30 24 A K E -A 40 0A 109 -2,-0.4 10,-0.3 10,-0.2 2,-0.2 -0.754 21.2-154.7 -86.4 117.9 64.9 26.1 8.5 31 25 A L E -A 39 0A 56 8,-2.1 8,-0.7 -2,-0.6 2,-0.1 -0.549 25.9 -95.1 -89.1 157.3 61.5 25.8 6.7 32 26 A Y + 0 0 211 -2,-0.2 2,-0.3 6,-0.1 -1,-0.1 -0.416 44.1 176.5 -71.3 146.6 60.9 27.3 3.2 33 27 A S - 0 0 31 2,-0.1 6,-0.0 -2,-0.1 0, 0.0 -0.962 31.9-167.9-151.3 133.4 59.3 30.8 2.9 34 28 A G S S+ 0 0 58 -2,-0.3 -1,-0.1 4,-0.0 4,-0.0 0.744 74.2 95.9 -82.7 -27.4 58.5 33.0 -0.1 35 29 A E S S- 0 0 74 1,-0.1 -2,-0.1 -3,-0.1 103,-0.0 0.047 94.1-106.0 -60.1 163.0 58.0 35.7 2.5 36 30 A X S S+ 0 0 64 2,-0.1 2,-0.2 18,-0.0 -1,-0.1 0.785 98.6 78.2 -55.4 -37.9 60.5 38.4 3.7 37 31 A N S S- 0 0 16 17,-0.1 2,-0.3 1,-0.0 17,-0.2 -0.520 79.1-128.6 -83.2 145.6 61.0 36.4 7.0 38 32 A E E - B 0 53A 52 15,-2.1 15,-2.5 -2,-0.2 2,-0.4 -0.734 25.8-149.8 -86.7 144.7 63.1 33.3 7.6 39 33 A I E +AB 31 52A 30 -8,-0.7 -8,-2.1 -2,-0.3 2,-0.3 -0.970 18.7 174.0-124.2 132.0 61.2 30.6 9.3 40 34 A W E -AB 30 51A 34 11,-2.3 11,-2.8 -2,-0.4 2,-0.4 -0.953 23.3-149.0-135.0 153.6 62.6 27.9 11.6 41 35 A L E +AB 29 50A 50 -12,-2.8 -12,-3.2 -2,-0.3 2,-0.3 -0.975 27.5 172.7-116.2 135.6 61.5 25.1 13.9 42 36 A I E -AB 28 49A 1 7,-2.2 7,-3.2 -2,-0.4 2,-0.3 -0.976 7.1-177.1-139.7 153.3 63.6 24.4 16.9 43 37 A N E -AB 27 48A 30 -16,-2.3 -17,-2.9 -2,-0.3 -16,-2.1 -0.990 31.7-147.8-150.7 165.0 63.4 22.2 20.0 44 38 A D S S- 0 0 19 3,-1.0 510,-0.2 -2,-0.3 -20,-0.2 -0.041 72.2 -85.3-113.7 21.7 65.0 21.2 23.3 45 39 A E S S+ 0 0 55 2,-0.1 3,-0.1 1,-0.1 -20,-0.1 0.372 124.5 36.6 83.2 0.9 63.8 17.5 23.2 46 40 A V S S+ 0 0 105 1,-0.3 2,-0.5 508,-0.0 -1,-0.1 0.488 111.2 45.8-138.4 -54.2 60.5 18.4 24.8 47 41 A Q - 0 0 69 2,-0.0 -3,-1.0 0, 0.0 2,-0.3 -0.872 65.3-155.0-105.8 121.3 59.1 21.8 23.6 48 42 A T E -B 43 0A 60 -2,-0.5 51,-0.7 -5,-0.2 2,-0.4 -0.739 11.2-160.9 -92.7 142.8 59.1 22.7 19.9 49 43 A V E -BC 42 98A 0 -7,-3.2 -7,-2.2 -2,-0.3 2,-0.5 -0.990 13.4-141.5-129.8 139.1 59.1 26.4 19.0 50 44 A F E -BC 41 97A 51 47,-3.0 47,-3.2 -2,-0.4 2,-0.5 -0.874 25.9-163.4 -97.7 124.5 58.1 28.2 15.7 51 45 A V E -BC 40 96A 0 -11,-2.8 -11,-2.3 -2,-0.5 2,-0.5 -0.944 16.6-166.7-122.3 121.1 60.5 31.0 15.0 52 46 A K E -BC 39 95A 14 43,-2.4 43,-2.3 -2,-0.5 2,-0.3 -0.915 20.9-174.5-101.4 133.3 60.1 34.0 12.6 53 47 A I E +BC 38 94A 1 -15,-2.5 -15,-2.1 -2,-0.5 2,-0.2 -0.921 16.3 143.7-128.7 147.9 63.4 35.9 12.0 54 48 A N E - C 0 93A 26 39,-1.9 39,-1.9 -2,-0.3 -17,-0.1 -0.873 56.0 -46.8-160.3-170.7 64.4 39.1 10.1 55 49 A E E > - C 0 92A 67 37,-0.3 3,-1.5 -2,-0.2 37,-0.3 -0.120 62.0-100.4 -64.4 165.9 66.8 42.1 10.6 56 50 A R G > S+ 0 0 127 35,-0.5 3,-1.4 1,-0.3 36,-0.1 0.879 117.6 63.7 -59.1 -40.0 67.1 43.8 14.0 57 51 A S G > S+ 0 0 95 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.637 86.3 74.3 -63.5 -12.1 64.9 46.8 12.9 58 52 A Y G <> + 0 0 79 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.274 64.0 102.4 -82.8 13.0 61.8 44.5 12.4 59 53 A R H <> S+ 0 0 110 -3,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.893 77.3 54.5 -63.8 -39.2 61.4 44.2 16.2 60 54 A S H <> S+ 0 0 91 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.926 107.7 49.1 -61.2 -43.0 58.5 46.6 16.1 61 55 A X H > S+ 0 0 10 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.940 112.6 48.3 -60.3 -47.0 56.7 44.6 13.5 62 56 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.897 109.9 52.5 -62.9 -37.1 57.2 41.4 15.6 63 57 A R H X S+ 0 0 145 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.961 109.7 48.7 -59.5 -51.0 56.0 43.2 18.6 64 58 A A H X S+ 0 0 7 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.917 109.8 51.9 -55.3 -43.9 52.8 44.3 16.7 65 59 A E H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.906 110.1 48.9 -60.6 -42.0 52.2 40.7 15.5 66 60 A A H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.887 109.2 51.6 -66.0 -41.3 52.5 39.4 19.1 67 61 A D H X S+ 0 0 56 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.859 109.7 51.1 -64.5 -34.0 50.0 42.0 20.4 68 62 A Q H X S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.959 109.6 48.1 -67.2 -49.7 47.5 41.0 17.7 69 63 A L H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.897 114.0 49.9 -56.4 -40.9 47.8 37.3 18.6 70 64 A A H X S+ 0 0 46 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.947 112.1 43.9 -62.9 -52.6 47.3 38.3 22.3 71 65 A L H X S+ 0 0 51 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.884 115.5 49.7 -64.1 -37.1 44.2 40.5 21.7 72 66 A L H ><>S+ 0 0 0 -4,-2.9 3,-1.3 2,-0.2 5,-0.5 0.954 110.6 49.9 -65.0 -48.3 42.7 37.8 19.4 73 67 A A H ><5S+ 0 0 48 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.921 104.9 59.2 -56.3 -44.1 43.4 35.0 22.0 74 68 A K H 3<5S+ 0 0 126 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.696 90.4 69.8 -61.3 -19.2 41.7 37.2 24.7 75 69 A T T <<5S- 0 0 33 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.644 95.9-137.1 -73.8 -10.8 38.3 37.4 22.8 76 70 A N T < 5S+ 0 0 139 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.888 76.7 92.4 56.0 43.4 37.8 33.6 23.4 77 71 A S S - 0 0 58 1,-0.1 3,-1.3 104,-0.1 4,-0.5 -0.984 10.2-154.0-126.0 116.0 38.1 18.4 7.9 107 101 A Q T > S+ 0 0 132 -2,-0.4 3,-1.5 1,-0.3 4,-0.3 0.860 95.4 60.3 -56.8 -39.6 35.4 20.3 6.0 108 102 A S T >> S+ 0 0 73 1,-0.3 3,-1.5 2,-0.2 4,-1.0 0.725 87.6 72.7 -64.0 -23.7 33.2 20.3 9.1 109 103 A S H <> S+ 0 0 3 -3,-1.3 4,-2.0 1,-0.3 104,-0.3 0.810 90.1 62.8 -61.7 -25.1 35.9 22.2 11.0 110 104 A F H <> S+ 0 0 9 -3,-1.5 4,-1.6 -4,-0.5 -1,-0.3 0.684 93.1 60.3 -72.6 -18.7 34.8 25.2 8.9 111 105 A T H <> S+ 0 0 45 -3,-1.5 4,-1.2 -4,-0.3 -1,-0.2 0.937 110.4 41.7 -69.9 -45.4 31.2 25.3 10.3 112 106 A I H X S+ 0 0 83 -4,-1.0 4,-1.8 1,-0.2 3,-0.3 0.911 111.5 56.3 -65.4 -43.1 32.6 25.8 13.8 113 107 A F H X S+ 0 0 7 -4,-2.0 4,-3.4 1,-0.2 -1,-0.2 0.874 104.1 53.3 -56.9 -41.7 35.2 28.4 12.4 114 108 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.846 106.9 53.0 -63.3 -35.2 32.3 30.4 10.9 115 109 A E H X S+ 0 0 54 -4,-1.2 4,-2.2 -3,-0.3 -1,-0.2 0.872 112.6 44.1 -67.1 -36.5 30.7 30.5 14.3 116 110 A K H X S+ 0 0 70 -4,-1.8 4,-2.8 2,-0.2 -38,-0.3 0.919 112.6 50.1 -74.8 -43.7 34.0 31.8 15.8 117 111 A I H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.936 112.5 49.6 -58.0 -43.3 34.5 34.3 13.0 118 112 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.953 110.0 49.2 -55.9 -55.7 30.9 35.5 13.6 119 113 A Q H X S+ 0 0 65 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.890 110.5 51.9 -51.3 -47.3 31.5 35.8 17.4 120 114 A L H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 76,-0.6 0.916 111.4 45.9 -54.6 -49.6 34.7 37.8 16.7 121 115 A H H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.737 106.4 60.8 -68.8 -24.5 32.8 40.2 14.4 122 116 A Q H 3< S+ 0 0 84 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.722 75.4 113.5 -75.5 -22.0 29.9 40.6 16.8 123 117 A I << - 0 0 54 -4,-1.0 2,-0.5 -3,-0.7 73,-0.3 -0.301 63.4-140.6 -54.4 122.3 32.2 42.0 19.6 124 118 A Q + 0 0 172 71,-0.1 71,-0.1 1,-0.1 3,-0.1 -0.785 42.2 136.0 -87.3 129.0 31.2 45.7 20.3 125 119 A G + 0 0 52 1,-0.5 -1,-0.1 -2,-0.5 70,-0.0 -0.084 50.6 4.9-136.1-120.3 34.1 48.0 20.9 126 120 A P - 0 0 44 0, 0.0 -1,-0.5 0, 0.0 0, 0.0 -0.142 53.3-131.7 -70.9 167.9 35.0 51.5 19.7 127 121 A D S S+ 0 0 135 66,-0.1 2,-0.3 -3,-0.1 -3,-0.0 0.108 86.1 67.9-103.3 18.1 32.9 53.8 17.5 128 122 A K S S- 0 0 85 2,-0.1 2,-0.3 21,-0.0 20,-0.2 -0.891 82.7-111.6-133.2 164.3 35.8 54.5 15.1 129 123 A Y B S+G 147 0C 6 18,-2.9 18,-2.0 -2,-0.3 2,-0.3 -0.779 73.4 43.5-101.4 142.7 37.8 52.6 12.6 130 124 A G B S-H 222 0D 0 92,-1.8 92,-2.9 -2,-0.3 2,-0.3 -0.936 72.9 -99.8 130.0-150.5 41.5 51.7 13.1 131 125 A L - 0 0 13 13,-2.0 15,-0.1 -2,-0.3 13,-0.1 -0.943 30.3-102.4-168.2 156.9 43.6 50.4 16.1 132 126 A D S S+ 0 0 139 -2,-0.3 2,-0.3 13,-0.1 13,-0.0 0.688 105.9 31.5 -63.2 -21.4 46.0 51.9 18.7 133 127 A F S S- 0 0 57 11,-0.1 2,-0.4 -69,-0.1 -3,-0.0 -0.934 91.1 -99.5-134.6 163.7 49.0 50.6 16.7 134 128 A D - 0 0 66 -2,-0.3 2,-0.2 9,-0.0 -70,-0.1 -0.696 37.5-158.4 -84.3 127.6 49.9 50.0 13.1 135 129 A T E -J 142 0E 0 7,-0.7 7,-3.7 -2,-0.4 2,-0.3 -0.637 11.7-121.9-102.6 163.3 49.6 46.3 12.0 136 130 A W E -J 141 0E 58 82,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.793 17.0-170.6-114.4 148.3 51.3 44.7 9.0 137 131 A L E > S-J 140 0E 0 3,-2.5 3,-1.1 -2,-0.3 82,-0.1 -0.901 76.1 -44.4-133.2 97.5 50.1 42.8 5.9 138 132 A G T 3 S- 0 0 18 -2,-0.4 -1,-0.1 1,-0.2 133,-0.0 -0.457 121.6 -22.9 71.9-147.8 53.1 41.3 4.2 139 133 A P T 3 S+ 0 0 49 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.358 123.8 81.2 -77.8 9.2 56.0 43.7 4.1 140 134 A I E < S-J 137 0E 11 -3,-1.1 -3,-2.5 2,-0.0 2,-0.2 -0.936 72.5-135.0-119.8 132.9 53.8 46.8 4.3 141 135 A Y E -J 136 0E 100 -2,-0.4 -5,-0.3 -5,-0.2 -7,-0.0 -0.535 19.5-129.4 -81.0 153.4 52.4 48.3 7.5 142 136 A Q E -J 135 0E 0 -7,-3.7 -7,-0.7 -2,-0.2 2,-0.2 -0.907 19.2-123.0-105.4 118.9 48.7 49.4 7.6 143 137 A P + 0 0 14 0, 0.0 18,-0.1 0, 0.0 -9,-0.0 -0.469 31.8 177.3 -63.8 128.2 48.0 53.0 8.8 144 138 A N + 0 0 0 -2,-0.2 -13,-2.0 -13,-0.1 78,-0.1 0.206 18.6 147.4-118.2 14.5 45.5 52.6 11.7 145 139 A D - 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0 0 56 0, 0.0 -4,-0.2 0, 0.0 3,-0.1 -0.372 11.9 -96.1 -86.7 160.8 68.2 29.4 39.5 535 232 B F - 0 0 4 -6,-1.0 5,-0.1 1,-0.1 -35,-0.0 -0.257 62.8 -85.3 -57.4 154.9 71.5 30.8 38.5 536 233 B P >> - 0 0 33 0, 0.0 3,-1.6 0, 0.0 4,-0.9 -0.182 39.3-101.3 -67.2 164.8 71.1 33.6 36.0 537 234 B T H 3> S+ 0 0 27 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.815 117.0 63.0 -51.3 -43.4 70.8 33.0 32.3 538 235 B N H 3> S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.747 98.2 58.9 -61.1 -22.5 74.3 33.9 31.4 539 236 B F H <> S+ 0 0 0 -3,-1.6 4,-2.8 2,-0.2 5,-0.2 0.989 110.6 38.3 -67.2 -57.7 75.6 31.0 33.6 540 237 B Y H X S+ 0 0 10 -4,-0.9 4,-2.3 1,-0.2 5,-0.2 0.890 115.7 55.5 -60.7 -40.1 73.7 28.2 31.6 541 238 B Q H X S+ 0 0 33 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.952 113.7 38.8 -55.2 -55.4 74.5 30.0 28.4 542 239 B R H X S+ 0 0 67 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.871 113.8 53.3 -67.4 -41.4 78.2 30.1 29.0 543 240 B Y H X S+ 0 0 1 -4,-2.8 4,-3.2 1,-0.2 3,-0.3 0.931 110.8 47.4 -61.2 -43.7 78.5 26.6 30.5 544 241 B N H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.823 107.9 56.8 -66.8 -31.7 76.8 25.1 27.5 545 242 B E H < S+ 0 0 92 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.853 116.8 34.4 -66.5 -34.6 79.0 27.0 25.2 546 243 B I H < S+ 0 0 51 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.1 0.900 136.9 16.5 -89.7 -44.7 82.1 25.5 26.8 547 244 B Y S < S- 0 0 44 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.732 87.5-141.7-132.1 80.0 80.9 22.0 27.7 548 245 B P - 0 0 81 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.119 19.8-114.9 -50.6 129.7 77.7 21.3 25.7 549 246 B L - 0 0 8 1,-0.1 3,-0.1 -26,-0.0 2,-0.0 -0.445 37.5-118.1 -64.9 135.4 75.0 19.3 27.6 550 247 B E > - 0 0 92 1,-0.2 3,-1.6 -2,-0.1 -1,-0.1 -0.255 35.1 -76.8 -76.9 163.6 74.4 15.9 26.0 551 248 B E T 3 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -506,-0.0 -0.318 117.5 34.4 -57.9 130.1 71.3 14.4 24.4 552 249 B G T 3> S+ 0 0 13 -3,-0.1 4,-2.1 3,-0.0 3,-0.4 0.371 72.8 128.7 103.1 -0.7 68.9 13.3 27.2 553 250 B Y H <> + 0 0 3 -3,-1.6 4,-3.2 1,-0.2 5,-0.2 0.900 69.5 53.5 -54.5 -48.2 69.6 16.1 29.8 554 251 B L H > S+ 0 0 38 -510,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.862 111.4 45.0 -59.5 -38.1 65.9 17.2 30.3 555 252 B E H >> S+ 0 0 126 -3,-0.4 4,-0.7 2,-0.2 3,-0.5 0.929 117.3 45.1 -69.9 -44.3 64.7 13.7 31.1 556 253 B R H >X S+ 0 0 19 -4,-2.1 4,-2.4 1,-0.2 3,-0.6 0.859 100.5 69.4 -67.1 -33.3 67.7 13.1 33.4 557 254 B K H 3X S+ 0 0 26 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.867 96.2 55.2 -51.9 -39.4 67.3 16.5 35.0 558 255 B L H < S+ 0 0 40 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.959 116.8 45.9 -69.0 -55.6 63.7 14.9 55.1 571 268 B R H 3< S+ 0 0 32 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.848 121.2 34.3 -57.2 -45.9 65.9 17.8 56.3 572 269 B Y T >< S+ 0 0 42 -4,-2.4 3,-2.3 1,-0.2 -1,-0.2 0.083 74.2 122.2-104.9 23.4 63.3 20.5 56.7 573 270 B Y T < S+ 0 0 126 -3,-1.1 -1,-0.2 1,-0.3 4,-0.1 0.754 76.5 55.7 -56.0 -28.1 60.3 18.3 57.7 574 271 B N T 3 S+ 0 0 125 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.498 98.5 73.0 -84.2 -5.7 60.0 20.5 60.9 575 272 B K S < S- 0 0 50 -3,-2.3 2,-0.6 0, 0.0 -3,-0.0 -0.756 94.7-106.1-103.1 154.0 59.7 23.7 58.9 576 273 B K + 0 0 160 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.731 64.4 133.6 -82.2 120.0 56.6 24.7 56.9 577 274 B Q - 0 0 61 -2,-0.6 3,-0.2 -4,-0.1 4,-0.2 -0.951 63.4-114.7-158.3 177.2 57.3 24.2 53.2 578 275 B S S > S+ 0 0 70 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 0.247 76.4 108.1-105.3 12.5 56.2 22.8 49.9 579 276 B Y H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -10,-0.2 0.801 76.0 51.7 -66.2 -33.4 58.9 20.1 49.4 580 277 B V H > S+ 0 0 56 -3,-0.2 4,-3.2 2,-0.2 5,-0.2 0.952 111.2 46.9 -69.1 -48.4 56.7 17.1 49.9 581 278 B S H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.948 113.6 48.8 -55.1 -51.1 54.1 18.1 47.4 582 279 B L H X S+ 0 0 82 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.855 113.2 48.6 -57.1 -37.2 56.8 18.9 44.9 583 280 B T H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.953 112.7 46.5 -68.0 -49.7 58.4 15.5 45.6 584 281 B Q H X S+ 0 0 59 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.922 112.2 50.3 -61.3 -46.3 55.1 13.6 45.2 585 282 B K H X S+ 0 0 85 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.971 113.3 46.3 -54.8 -53.9 54.2 15.5 42.0 586 283 B L H X S+ 0 0 18 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.838 113.6 49.5 -58.4 -34.9 57.6 14.7 40.5 587 284 B I H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.931 109.2 50.9 -70.0 -47.2 57.3 11.0 41.7 588 285 B N H X S+ 0 0 76 -4,-3.2 4,-0.5 3,-0.2 -2,-0.2 0.892 110.3 51.4 -57.2 -39.9 53.8 10.6 40.2 589 286 B Q H < S+ 0 0 130 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.993 112.3 42.0 -60.1 -63.8 55.1 12.0 36.9 590 287 B I H < S+ 0 0 43 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.782 132.8 25.1 -52.8 -33.2 58.1 9.7 36.5 591 288 B L H < 0 0 68 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.887 360.0 360.0 -97.5 -76.8 56.0 6.7 37.7 592 289 B H < 0 0 109 -4,-0.5 -3,-0.1 -5,-0.3 -4,-0.1 0.869 360.0 360.0 -81.7 360.0 52.2 7.2 37.1