==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JUN-05 2BU3 . COMPND 2 MOLECULE: ALR0975 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR D.VIVARES,P.ARNOUX,D.PIGNOL . 404 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 1 0.2 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 . 26 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 1 4 3 3 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 4 0 4 1 5 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 . 2 0 1 1 0 0 1 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 29 A L 0 0 103 0, 0.0 140,-0.1 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 144.0 5.4 -11.2 18.9 2 30 A S > - 0 0 28 138,-0.4 3,-2.2 1,-0.1 139,-0.0 -0.365 360.0-110.5 -64.3 147.8 4.3 -14.5 20.2 3 31 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.625 113.2 66.7 -63.2 -16.0 1.2 -15.8 18.5 4 32 A N T 3 S+ 0 0 42 135,-0.1 172,-0.4 136,-0.0 2,-0.3 0.606 95.1 70.7 -77.7 -13.0 -1.0 -15.3 21.6 5 33 A L < - 0 0 11 -3,-2.2 2,-0.6 170,-0.1 170,-0.2 -0.804 68.7-149.9-106.2 146.1 -0.6 -11.5 21.3 6 34 A I E -A 174 0A 14 168,-1.8 168,-2.8 -2,-0.3 2,-0.1 -0.965 22.1-136.0-114.6 115.6 -2.0 -9.2 18.6 7 35 A G E > -A 173 0A 5 -2,-0.6 6,-0.6 166,-0.2 3,-0.5 -0.427 9.1-137.7 -71.3 142.3 0.2 -6.2 18.0 8 36 A F T 3 S+ 0 0 1 164,-2.9 2,-0.8 1,-0.3 -1,-0.1 0.762 101.5 74.7 -64.9 -24.0 -1.4 -2.7 17.6 9 37 A N T 3 S+ 0 0 94 163,-0.4 2,-0.3 4,-0.1 -1,-0.3 -0.197 89.2 72.8 -81.9 40.7 1.0 -2.4 14.7 10 38 A S S <> S- 0 0 41 -2,-0.8 4,-2.2 -3,-0.5 5,-0.2 -0.966 91.3-111.1-147.3 158.5 -1.1 -4.7 12.5 11 39 A N H > S+ 0 0 97 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.910 120.9 52.5 -56.6 -42.9 -4.4 -4.4 10.7 12 40 A E H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 108.9 50.2 -59.6 -44.2 -5.9 -6.9 13.2 13 41 A G H > S+ 0 0 0 -6,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.853 110.5 48.9 -63.4 -37.8 -4.6 -4.7 16.1 14 42 A E H >X S+ 0 0 29 -4,-2.2 4,-2.1 1,-0.2 3,-0.6 0.929 108.6 53.7 -66.7 -43.6 -6.2 -1.6 14.7 15 43 A K H 3X S+ 0 0 115 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.817 100.6 60.5 -62.1 -32.4 -9.5 -3.3 14.1 16 44 A L H 3X S+ 0 0 12 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.852 107.6 45.6 -65.3 -32.1 -9.6 -4.4 17.7 17 45 A L H X< S+ 0 0 5 -4,-1.0 3,-0.6 -3,-0.6 -2,-0.2 0.917 112.7 50.6 -70.7 -42.9 -9.6 -0.7 18.7 18 46 A L H 3< S+ 0 0 39 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.787 115.3 42.1 -66.8 -29.5 -12.2 0.1 16.1 19 47 A T H 3< S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.2 137,-0.2 0.475 93.3 105.2 -96.9 -3.7 -14.5 -2.7 17.3 20 48 A S << - 0 0 0 -3,-0.6 134,-0.2 -4,-0.5 3,-0.1 -0.506 47.8-170.0 -72.3 142.0 -13.9 -2.0 21.0 21 49 A R S S+ 0 0 153 132,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.042 81.9 63.5-116.8 23.4 -16.7 -0.3 23.0 22 50 A S B S+B 153 0A 1 131,-0.6 131,-2.3 -5,-0.1 102,-0.2 -0.647 71.1 107.1-139.9 75.2 -14.4 0.3 26.0 23 51 A R >> + 0 0 34 129,-0.2 3,-1.3 -2,-0.2 4,-0.6 0.300 25.7 114.2-144.0 6.7 -11.8 2.5 24.6 24 52 A E T >4 S+ 0 0 30 99,-0.3 3,-1.5 1,-0.2 100,-0.2 0.906 78.0 59.6 -54.0 -42.2 -12.1 6.1 25.9 25 53 A D T 3> S+ 0 0 0 98,-1.9 4,-2.1 1,-0.3 5,-0.3 0.747 89.0 73.3 -65.6 -20.0 -8.8 5.9 27.8 26 54 A F H <> S+ 0 0 0 -3,-1.3 4,-2.6 125,-0.9 5,-0.3 0.879 93.5 56.1 -54.6 -38.5 -6.9 5.2 24.5 27 55 A F H S+ 0 0 4 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.868 121.1 51.6 -63.1 -33.2 -5.9 10.7 26.4 29 57 A L H >X S+ 0 0 0 -4,-2.1 3,-1.3 2,-0.2 4,-0.6 0.927 108.8 48.5 -67.5 -44.6 -3.2 8.0 27.1 30 58 A S H >< S+ 0 0 1 -4,-2.6 3,-1.0 -5,-0.3 -1,-0.2 0.890 106.4 60.2 -61.1 -35.0 -2.0 7.9 23.5 31 59 A X H 3< S+ 0 0 22 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.686 114.9 34.1 -63.8 -18.3 -1.9 11.7 23.7 32 60 A Q H << S+ 0 0 26 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.308 85.4 143.3-117.5 5.0 0.7 11.4 26.5 33 61 A F << + 0 0 1 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.1 -0.190 23.2 173.7 -55.7 132.6 2.5 8.2 25.4 34 62 A V - 0 0 23 200,-0.1 2,-0.5 11,-0.1 133,-0.2 -0.927 33.1-114.2-134.3 162.4 6.2 8.2 26.1 35 63 A T - 0 0 26 -2,-0.3 131,-0.2 131,-0.1 130,-0.1 -0.840 42.1-105.6 -92.5 132.5 9.2 5.8 25.8 36 64 A Q - 0 0 2 129,-2.5 132,-0.1 -2,-0.5 6,-0.1 -0.364 26.9-135.2 -55.8 135.5 10.7 4.8 29.1 37 65 A V S S+ 0 0 63 4,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.744 81.3 6.9 -72.9 -24.3 14.0 6.7 29.3 38 66 A N S > S- 0 0 55 223,-0.0 3,-1.3 0, 0.0 4,-0.1 -0.913 88.9 -90.8-147.9 175.4 16.0 3.6 30.5 39 67 A Q T 3 S+ 0 0 105 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 0.523 122.3 45.5 -71.2 -7.0 15.4 -0.1 31.0 40 68 A A T 3 S+ 0 0 21 1,-0.1 3,-0.4 42,-0.1 -1,-0.3 0.439 93.2 79.6-111.4 -3.0 14.3 0.3 34.7 41 69 A Y <> + 0 0 26 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.177 47.8 115.0-100.1 17.4 11.9 3.3 34.3 42 70 A C H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 81.7 49.9 -53.5 -39.3 8.7 1.6 33.0 43 71 A G H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.874 110.1 49.0 -68.3 -37.7 6.9 2.6 36.2 44 72 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.934 111.8 48.8 -66.7 -45.4 8.0 6.2 36.0 45 73 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.915 112.8 49.0 -58.5 -43.4 6.9 6.5 32.3 46 74 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.908 110.7 50.0 -63.7 -44.2 3.6 4.9 33.2 47 75 A I H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.935 110.8 47.4 -61.8 -47.4 3.0 7.3 36.1 48 76 A I H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.873 109.5 54.7 -69.8 -30.5 3.8 10.5 34.2 49 77 A X H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.936 113.4 42.0 -60.2 -47.6 1.5 9.4 31.3 50 78 A V H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 113.4 51.3 -69.5 -42.5 -1.4 8.9 33.8 51 79 A L H <>S+ 0 0 1 -4,-3.1 5,-2.4 1,-0.2 4,-0.4 0.929 114.5 43.9 -60.4 -44.1 -0.7 12.1 35.7 52 80 A N H ><5S+ 0 0 22 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.888 111.7 53.5 -67.9 -37.3 -0.6 14.1 32.5 53 81 A S H 3<5S+ 0 0 17 -4,-2.2 74,-0.2 1,-0.3 -1,-0.2 0.804 108.5 50.9 -65.7 -29.9 -3.7 12.3 31.2 54 82 A L T 3<5S- 0 0 23 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.495 114.8-119.4 -81.4 -8.2 -5.5 13.2 34.5 55 83 A G T < 5 + 0 0 53 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.676 50.2 170.7 76.0 20.6 -4.5 16.9 34.1 56 84 A I < - 0 0 19 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.450 31.4-129.8 -67.0 127.3 -2.5 16.9 37.3 57 85 A N 0 0 116 -2,-0.2 5,-0.2 1,-0.1 -1,-0.1 -0.652 360.0 360.0 -78.5 130.6 -0.5 20.1 37.7 58 86 A A 0 0 55 3,-2.3 -1,-0.1 -2,-0.4 4,-0.1 0.768 360.0 360.0 -75.2 360.0 3.2 19.4 38.6 59 ! 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 60 95 A Y 0 0 178 0, 0.0 2,-0.4 0, 0.0 315,-0.1 0.000 360.0 360.0 360.0 134.9 3.0 25.0 31.4 61 96 A R + 0 0 171 313,-0.2 -3,-2.3 2,-0.0 2,-0.2 -0.660 360.0 159.4-122.3 70.1 3.5 22.6 34.3 62 97 A V - 0 0 46 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.1 -0.598 39.5-111.2-104.2 151.0 3.8 19.0 33.0 63 98 A F + 0 0 3 -15,-0.2 2,-0.3 -7,-0.2 -1,-0.1 -0.595 35.8 175.1 -81.9 146.4 5.2 15.7 34.3 64 99 A T > - 0 0 56 -2,-0.3 4,-1.3 1,-0.1 3,-0.2 -0.933 43.6-117.0-145.8 150.7 8.3 14.2 32.7 65 100 A Q T 4 S+ 0 0 21 -2,-0.3 4,-0.4 1,-0.2 3,-0.2 0.882 118.8 53.3 -60.5 -35.4 10.5 11.2 33.5 66 101 A D T 4 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.768 116.8 36.1 -70.4 -26.7 13.3 13.7 34.0 67 102 A N T >4 S+ 0 0 56 -3,-0.2 3,-1.4 1,-0.1 -1,-0.2 0.501 89.0 95.2-104.2 -2.8 11.3 15.8 36.5 68 103 A F T 3< S+ 0 0 0 -4,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.851 92.4 37.8 -58.3 -41.0 9.3 13.1 38.4 69 104 A F T 3 0 0 16 -4,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.383 360.0 360.0 -92.7 4.2 11.8 12.8 41.3 70 105 A S < 0 0 118 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.1 0.110 360.0 360.0 -76.3 360.0 12.5 16.5 41.5 71 ! 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 72 109 A T >> 0 0 42 0, 0.0 4,-1.2 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 -48.4 8.4 11.7 46.1 73 110 A K T 34 + 0 0 129 1,-0.2 -4,-0.1 -4,-0.2 -3,-0.0 0.819 360.0 62.1 -58.8 -33.3 12.1 10.9 46.7 74 111 A A T 34 S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.710 97.4 56.8 -68.7 -22.6 11.2 9.9 50.2 75 112 A V T <4 S- 0 0 45 -3,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.961 134.5 -19.7 -69.8 -53.9 8.9 7.2 49.0 76 113 A I S < S- 0 0 15 -4,-1.2 -1,-0.3 14,-0.0 -2,-0.1 -0.931 74.4-112.8-156.4 133.6 11.7 5.5 47.0 77 114 A A >> - 0 0 32 -2,-0.3 4,-1.9 -3,-0.2 3,-1.1 -0.394 21.3-126.2 -67.2 140.7 15.1 6.9 45.9 78 115 A P H 3> S+ 0 0 42 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.820 111.1 61.4 -52.7 -34.7 15.7 7.4 42.1 79 116 A E H 3> S+ 0 0 109 2,-0.2 4,-0.7 1,-0.2 5,-0.1 0.828 105.0 46.7 -63.9 -33.0 18.9 5.3 42.6 80 117 A V H X> S+ 0 0 32 -3,-1.1 4,-2.7 2,-0.2 3,-0.9 0.929 112.5 48.6 -73.1 -46.8 16.9 2.3 43.8 81 118 A V H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.892 105.7 59.3 -59.9 -38.5 14.3 2.6 40.9 82 119 A A H 3< S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 117.2 31.9 -61.2 -27.8 17.2 2.9 38.5 83 120 A R H << S+ 0 0 144 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.783 138.5 14.0 -97.2 -33.3 18.5 -0.5 39.6 84 121 A Q H < S- 0 0 110 -4,-2.7 -3,-0.2 1,-0.3 -2,-0.2 0.433 85.5-138.8-127.1 -5.6 15.3 -2.4 40.5 85 122 A G < - 0 0 12 -4,-2.4 2,-0.3 -5,-0.4 -1,-0.3 -0.458 42.7 -65.4 70.4-149.9 12.3 -0.6 39.2 86 123 A X - 0 0 17 -2,-0.1 2,-0.1 -46,-0.1 104,-0.0 -0.980 36.4-123.5-139.5 150.5 9.3 -0.4 41.6 87 124 A T > - 0 0 8 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.392 37.9-101.7 -82.2 167.6 6.8 -2.8 43.2 88 125 A L H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.918 124.5 47.6 -55.5 -45.8 3.0 -2.5 42.8 89 126 A D H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 111.2 50.5 -66.6 -36.1 2.8 -0.9 46.3 90 127 A E H > S+ 0 0 39 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.893 107.0 54.7 -67.7 -40.7 5.6 1.5 45.6 91 128 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.942 109.0 49.3 -54.1 -49.1 3.9 2.5 42.4 92 129 A G H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.935 112.8 45.8 -55.8 -49.9 0.8 3.3 44.4 93 130 A R H X S+ 0 0 124 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.848 109.8 54.1 -67.0 -34.7 2.7 5.4 47.0 94 131 A L H < S+ 0 0 0 -4,-2.7 3,-0.3 2,-0.2 4,-0.3 0.926 111.8 44.6 -65.4 -44.2 4.6 7.3 44.3 95 132 A I H ><>S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.2 5,-0.9 0.944 111.9 53.2 -59.5 -48.2 1.4 8.3 42.6 96 133 A A H ><5S+ 0 0 45 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.702 93.0 73.6 -62.1 -21.9 -0.2 9.2 46.0 97 134 A S T 3<5S+ 0 0 47 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.661 94.3 52.9 -68.2 -16.8 2.8 11.5 46.8 98 135 A Y T < 5S- 0 0 63 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.218 125.6-103.4-101.6 12.6 1.4 14.0 44.3 99 136 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.691 75.9 137.0 78.7 21.3 -2.0 13.9 46.1 100 137 A V < - 0 0 9 -5,-0.9 2,-0.3 1,-0.0 -1,-0.3 -0.710 57.8-106.9 -99.3 152.1 -3.8 11.7 43.6 101 138 A K E -C 201 0A 142 100,-2.1 100,-2.3 -2,-0.3 2,-0.4 -0.618 38.6-176.9 -81.4 134.6 -6.2 8.9 44.6 102 139 A V E -C 200 0A 40 -2,-0.3 2,-0.5 98,-0.2 98,-0.2 -0.982 19.3-165.1-131.9 139.6 -5.0 5.3 44.1 103 140 A K E -C 199 0A 94 96,-2.1 96,-2.4 -2,-0.4 2,-0.5 -0.965 17.7-155.7-121.6 113.2 -6.6 1.9 44.7 104 141 A V E -C 198 0A 47 -2,-0.5 2,-0.5 94,-0.2 94,-0.2 -0.763 7.6-168.0 -92.9 127.8 -4.0 -0.8 44.6 105 142 A N E -C 197 0A 18 92,-3.0 92,-2.2 -2,-0.5 2,-0.3 -0.889 4.4-162.0-121.6 99.8 -5.3 -4.3 43.7 106 143 A H E > -C 196 0A 19 -2,-0.5 3,-2.1 90,-0.2 4,-0.3 -0.591 27.2-125.5 -72.4 140.0 -3.0 -7.3 44.3 107 144 A A G > S+ 0 0 2 88,-2.7 3,-1.6 77,-0.4 -1,-0.1 0.842 108.6 65.9 -53.7 -35.8 -4.1 -10.3 42.3 108 145 A S G 3 S+ 0 0 75 87,-0.3 -1,-0.3 1,-0.3 88,-0.1 0.682 102.5 48.4 -61.7 -17.1 -4.1 -12.3 45.5 109 146 A D G < S+ 0 0 131 -3,-2.1 -1,-0.3 2,-0.0 2,-0.2 0.351 118.4 28.1-106.0 3.9 -7.0 -10.2 46.8 110 147 A T S < S- 0 0 31 -3,-1.6 2,-0.3 -4,-0.3 3,-0.0 -0.622 71.8-122.0-144.4-159.9 -9.2 -10.3 43.7 111 148 A N > - 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0 0 0 -3,-0.9 3,-0.2 -4,-0.3 140,-0.2 -0.544 45.2-172.1 -73.8 138.7 -12.4 8.9 8.6 221 49 B R S S+ 0 0 153 138,-0.4 2,-0.1 -2,-0.2 -1,-0.1 0.156 82.0 61.4-112.3 15.2 -11.5 6.8 5.6 222 50 B S B +J 359 0C 0 137,-0.7 137,-2.0 -5,-0.1 108,-0.2 -0.624 68.7 109.5-135.9 72.1 -8.0 8.5 5.3 223 51 B R >> + 0 0 45 135,-0.2 3,-1.1 -3,-0.2 4,-0.7 0.124 24.8 124.6-140.1 17.5 -6.4 7.6 8.6 224 52 B E T >4 S+ 0 0 64 105,-1.8 3,-0.6 1,-0.2 106,-0.1 0.867 78.0 49.7 -47.0 -45.0 -3.7 5.1 7.8 225 53 B D T 3> S+ 0 0 1 104,-0.5 4,-2.3 132,-0.3 5,-0.3 0.678 90.9 78.3 -78.7 -18.5 -1.0 7.2 9.5 226 54 B F H <> S+ 0 0 0 -3,-1.1 4,-2.7 131,-1.0 -1,-0.2 0.919 91.9 51.7 -54.8 -45.7 -2.8 7.8 12.7 227 55 B F H S+ 0 0 31 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.898 117.6 51.8 -61.5 -37.8 1.8 4.2 13.6 229 57 B L H >X S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.8 0.889 104.8 55.5 -65.4 -38.1 2.1 7.9 14.5 230 58 B S H 3< S+ 0 0 1 -4,-2.7 3,-0.4 -5,-0.3 -1,-0.2 0.849 104.6 55.1 -61.5 -32.7 0.2 7.4 17.8 231 59 B X H 3< S+ 0 0 24 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.706 116.7 36.2 -68.9 -20.9 2.7 4.7 18.7 232 60 B Q H << S+ 0 0 25 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.370 81.1 140.5-114.4 -2.1 5.6 7.2 18.2 233 61 B F < + 0 0 2 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.1 -0.170 24.5 171.9 -54.8 135.3 4.0 10.4 19.6 234 62 B V - 0 0 23 -200,-0.1 2,-0.4 11,-0.1 139,-0.2 -0.928 34.2-112.1-138.8 161.7 6.5 12.5 21.6 235 63 B T - 0 0 43 -2,-0.3 137,-0.2 137,-0.1 136,-0.1 -0.829 43.2-104.1 -91.7 134.7 6.6 16.0 23.2 236 64 B Q - 0 0 8 135,-2.4 6,-0.1 -2,-0.4 -1,-0.0 -0.374 28.2-136.2 -57.5 136.1 9.1 18.4 21.7 237 65 B V S S+ 0 0 85 4,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.669 80.8 11.8 -78.9 -18.9 12.0 18.5 24.1 238 66 B N S > S- 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.928 90.9 -91.7-146.6 174.6 12.3 22.3 23.9 239 67 B Q T 3 S+ 0 0 183 -2,-0.3 3,-0.1 1,-0.3 50,-0.1 0.563 123.2 41.7 -67.8 -9.4 10.3 25.2 22.6 240 68 B A T 3 S+ 0 0 17 48,-0.2 3,-0.5 1,-0.1 -1,-0.3 0.372 91.7 85.4-115.1 1.8 12.1 25.1 19.2 241 69 B Y <> + 0 0 22 -3,-1.5 4,-2.6 1,-0.2 3,-0.4 0.240 46.5 114.4 -96.5 16.1 12.3 21.4 18.6 242 70 B C H > S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.870 79.4 50.8 -53.7 -41.1 8.9 20.8 17.0 243 71 B G H > S+ 0 0 1 -3,-0.5 4,-2.4 2,-0.2 -1,-0.3 0.884 110.0 48.6 -64.2 -39.2 10.5 19.8 13.7 244 72 B V H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.937 111.5 49.4 -67.7 -45.5 12.8 17.3 15.3 245 73 B A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.921 112.8 49.1 -56.4 -43.9 10.0 15.7 17.2 246 74 B S H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.910 110.8 49.7 -62.9 -45.6 8.0 15.5 14.0 247 75 B I H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.931 109.7 49.1 -61.1 -47.8 10.8 14.0 12.0 248 76 B I H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.856 107.2 55.9 -68.7 -29.4 11.6 11.2 14.5 249 77 B X H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.928 113.4 41.4 -61.0 -45.9 8.0 10.2 14.8 250 78 B V H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.906 113.8 50.7 -70.9 -43.3 7.9 9.7 11.0 251 79 B L H X>S+ 0 0 1 -4,-2.9 5,-2.1 1,-0.2 4,-0.5 0.902 112.7 47.1 -64.3 -39.8 11.3 8.0 10.7 252 80 B N H ><5S+ 0 0 22 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.905 110.5 52.9 -64.7 -40.0 10.4 5.5 13.5 253 81 B S H 3<5S+ 0 0 29 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.844 109.3 49.5 -62.8 -34.0 7.0 4.9 11.9 254 82 B L H 3<5S- 0 0 17 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.567 111.2-123.4 -81.1 -10.1 8.8 4.1 8.6 255 83 B G T <<5 + 0 0 51 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.751 44.8 177.6 72.4 23.9 11.2 1.7 10.4 256 84 B I < - 0 0 25 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.353 44.8 -89.9 -60.1 136.5 14.3 3.7 9.2 257 85 B N - 0 0 130 47,-0.1 -1,-0.1 1,-0.1 9,-0.1 -0.317 56.0-146.6 -51.0 117.1 17.6 2.3 10.4 258 86 B A 0 0 8 7,-0.2 9,-0.1 -2,-0.1 -1,-0.1 -0.426 360.0 360.0 -96.4 161.2 18.1 4.3 13.7 259 87 B P 0 0 55 0, 0.0 7,-0.5 0, 0.0 -1,-0.1 -0.341 360.0 360.0 -65.2 360.0 21.2 5.6 15.5 260 ! 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 0.0 261 92 B Y > 0 0 77 0, 0.0 3,-2.1 0, 0.0 -223,-0.0 0.000 360.0 360.0 360.0 -5.7 18.4 0.9 24.7 262 93 B S T 3 + 0 0 111 1,-0.4 3,-0.1 0, 0.0 0, 0.0 -0.128 360.0 27.8 -46.5 135.2 21.1 -1.3 23.1 263 94 B P T 3 S+ 0 0 111 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.996 117.2 74.0 -81.6 -4.2 20.7 -3.6 21.3 264 95 B Y < - 0 0 82 -3,-2.1 2,-0.4 1,-0.0 -95,-0.1 -0.403 67.1-157.3 -72.8 145.8 17.5 -1.8 20.3 265 96 B R + 0 0 145 -97,-0.3 2,-0.3 -2,-0.1 -7,-0.2 -0.993 20.3 156.0-129.2 132.5 17.7 1.2 18.1 266 97 B V - 0 0 14 -7,-0.5 2,-0.3 -2,-0.4 -98,-0.1 -0.983 42.7-105.3-147.7 149.6 15.2 4.1 17.8 267 98 B F + 0 0 3 -2,-0.3 2,-0.3 -19,-0.2 -15,-0.1 -0.649 41.8 173.6 -73.5 137.3 15.3 7.7 16.7 268 99 B T > - 0 0 37 -2,-0.3 4,-1.2 1,-0.1 3,-0.3 -0.913 46.3-109.9-133.5 165.2 15.0 10.2 19.6 269 100 B Q T 4 S+ 0 0 19 -2,-0.3 4,-0.4 1,-0.2 3,-0.1 0.867 120.0 53.0 -62.7 -32.3 15.2 14.0 19.7 270 101 B D T 4 S+ 0 0 142 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.754 115.5 37.4 -75.3 -27.5 18.5 13.6 21.6 271 102 B N T >4 S+ 0 0 33 -3,-0.3 3,-1.8 1,-0.1 -1,-0.2 0.500 89.8 92.8-101.4 -3.5 20.1 11.2 19.0 272 103 B F T 3< S+ 0 0 0 -4,-1.2 3,-0.2 1,-0.3 -2,-0.1 0.876 91.0 42.5 -57.8 -40.6 18.7 12.8 15.8 273 104 B F T 3 S+ 0 0 14 -4,-0.4 -1,-0.3 1,-0.2 6,-0.2 0.214 80.0 116.5 -91.1 16.9 21.8 15.0 15.3 274 105 B S < + 0 0 70 -3,-1.8 2,-0.3 4,-0.1 -1,-0.2 0.125 64.6 63.1 -80.6 23.5 24.3 12.3 16.2 275 106 B N S > S- 0 0 45 -3,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.985 81.2-121.5-143.2 158.7 25.9 12.1 12.7 276 107 B E H > S+ 0 0 141 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.838 106.6 56.3 -69.1 -36.5 27.9 14.6 10.6 277 108 B K H > S+ 0 0 162 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.906 110.8 44.6 -62.7 -43.6 25.6 14.6 7.5 278 109 B T H >> S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.938 113.8 49.2 -66.5 -46.3 22.6 15.7 9.6 279 110 B K H 3< S+ 0 0 76 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.810 102.5 64.1 -61.2 -31.6 24.6 18.3 11.5 280 111 B A H 3< S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.706 96.6 57.5 -67.3 -22.0 25.9 19.6 8.2 281 112 B V H << S- 0 0 35 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.960 132.1 -20.9 -70.4 -54.4 22.4 20.7 7.1 282 113 B I S < S- 0 0 15 -4,-1.1 -1,-0.3 14,-0.0 -2,-0.0 -0.938 75.5-104.2-158.4 136.0 21.9 22.9 10.2 283 114 B A >> - 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