==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-DEC-08 3FKR . COMPND 2 MOLECULE: L-2-KETO-3-DEOXYARABONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOSPIRILLUM BRASILENSE; . AUTHOR N.SHIMADA,B.MIKAMI . 608 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 4 0.7 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 . 41 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.0 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 2 0 2 0 2 0 4 4 4 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 6 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 17 A T 0 0 165 0, 0.0 2,-0.1 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 118.3 23.6 40.0 56.6 2 18 A P - 0 0 29 0, 0.0 3,-0.1 0, 0.0 187,-0.1 -0.358 360.0-128.4 -72.9 156.3 21.3 42.9 55.4 3 19 A R S S+ 0 0 131 1,-0.2 2,-0.4 -2,-0.1 186,-0.0 0.758 93.2 30.9 -75.8 -23.9 21.2 43.8 51.8 4 20 A H + 0 0 35 184,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.997 65.2 147.8-141.6 141.1 21.8 47.4 52.6 5 21 A R + 0 0 69 -2,-0.4 2,-0.3 -3,-0.1 204,-0.2 -0.962 37.6 47.6-160.4 166.4 23.7 49.3 55.4 6 22 A G E S-a 209 0A 6 202,-2.3 204,-2.4 -2,-0.3 2,-0.5 -0.723 94.8 -7.7 98.7-148.1 25.8 52.5 55.9 7 23 A I E +a 210 0A 0 -2,-0.3 32,-2.1 202,-0.2 33,-1.5 -0.816 48.5 174.9-104.1 123.1 24.9 56.0 54.9 8 24 A F - 0 0 4 202,-2.6 33,-0.2 -2,-0.5 -2,-0.1 -0.749 18.8-166.7-124.8 79.5 21.9 56.7 52.7 9 25 A P - 0 0 0 0, 0.0 33,-2.7 0, 0.0 2,-0.5 -0.309 24.0-107.9 -73.4 160.4 21.6 60.5 52.5 10 26 A V B -b 42 0A 5 202,-2.5 204,-0.3 31,-0.2 33,-0.2 -0.661 28.0-132.1 -88.0 125.8 18.5 62.3 51.1 11 27 A V - 0 0 2 31,-3.2 33,-0.5 -2,-0.5 34,-0.3 -0.651 22.4-132.8 -75.2 125.3 18.9 63.9 47.7 12 28 A P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 36,-0.2 -0.474 17.0-115.8 -72.0 153.3 17.7 67.5 47.7 13 29 A T - 0 0 3 34,-0.2 2,-0.5 -2,-0.1 10,-0.1 -0.763 29.4-145.4 -86.7 124.2 15.4 68.7 45.0 14 30 A T - 0 0 1 -2,-0.5 8,-2.6 8,-0.2 2,-0.3 -0.817 18.4-174.5 -97.1 124.9 17.1 71.4 42.9 15 31 A F B -I 21 0B 0 -2,-0.5 257,-0.2 257,-0.5 6,-0.2 -0.766 27.2-110.6-105.2 158.1 15.1 74.3 41.5 16 32 A A > - 0 0 30 4,-2.9 3,-2.2 -2,-0.3 6,-0.1 -0.358 45.7 -97.0 -69.1 165.4 15.9 77.1 39.2 17 33 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.817 127.5 49.5 -58.8 -27.9 15.9 80.5 40.8 18 34 A T T 3 S- 0 0 99 256,-0.0 -1,-0.3 2,-0.0 256,-0.0 0.351 125.1 -98.6 -96.9 6.5 12.3 81.0 39.5 19 35 A G S < S+ 0 0 6 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.154 78.2 130.5 106.9 -13.7 11.1 77.7 40.9 20 36 A D S S- 0 0 88 1,-0.1 -4,-2.9 -5,-0.1 -1,-0.3 -0.222 72.3 -89.3 -62.2 154.4 11.2 75.4 37.8 21 37 A L B -I 15 0B 36 -6,-0.2 2,-0.7 1,-0.1 -6,-0.2 -0.509 35.4-152.0 -61.1 139.9 12.9 72.0 38.2 22 38 A D > + 0 0 29 -8,-2.6 4,-2.0 1,-0.1 -8,-0.2 -0.871 20.0 174.5-115.4 91.2 16.6 72.3 37.4 23 39 A L H > S+ 0 0 56 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.788 74.1 59.5 -76.1 -26.4 17.4 68.8 36.2 24 40 A A H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.937 111.0 41.3 -63.8 -47.2 21.0 69.6 35.2 25 41 A S H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 109.9 61.2 -66.3 -34.0 21.8 70.7 38.7 26 42 A Q H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.910 104.5 47.1 -58.8 -44.4 19.8 67.7 40.0 27 43 A K H X S+ 0 0 84 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.861 110.9 51.7 -64.1 -37.4 22.1 65.3 38.2 28 44 A R H X S+ 0 0 76 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.914 107.2 52.8 -66.8 -36.3 25.2 67.1 39.5 29 45 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.937 110.0 49.2 -62.1 -43.5 23.9 67.0 43.1 30 46 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.906 111.2 48.6 -61.2 -44.9 23.5 63.2 42.7 31 47 A D H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.902 110.3 51.4 -66.1 -39.0 27.0 62.8 41.3 32 48 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.943 109.0 50.9 -61.9 -46.1 28.5 64.8 44.1 33 49 A M H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 -1,-0.2 0.877 111.4 48.1 -63.8 -31.7 26.7 62.7 46.7 34 50 A I H ><5S+ 0 0 23 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.913 110.3 50.4 -71.3 -43.2 28.0 59.6 45.1 35 51 A D H 3<5S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.806 100.4 66.1 -61.9 -27.4 31.5 60.9 44.9 36 52 A A T 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.576 123.9-103.7 -71.1 -7.7 31.2 61.8 48.6 37 53 A G T < 5 + 0 0 33 -3,-1.5 -30,-0.2 1,-0.2 -3,-0.2 0.617 56.1 173.2 100.3 13.4 31.0 58.0 49.3 38 54 A S < - 0 0 7 -5,-1.8 -1,-0.2 1,-0.2 -30,-0.2 -0.227 28.5-147.6 -49.8 135.9 27.2 57.6 49.9 39 55 A D S S- 0 0 40 -32,-2.1 2,-0.3 1,-0.2 -31,-0.2 0.780 77.7 -19.3 -75.7 -25.6 26.3 53.9 50.2 40 56 A G - 0 0 0 -33,-1.5 2,-0.4 33,-0.2 -1,-0.2 -0.941 69.3-118.0-164.8 179.7 22.9 54.6 48.7 41 57 A L E - c 0 75A 0 33,-2.1 35,-3.3 -2,-0.3 2,-0.5 -0.992 8.7-149.1-137.5 142.3 20.6 57.5 48.1 42 58 A C E -bc 10 76A 0 -33,-2.7 -31,-3.2 -2,-0.4 2,-0.3 -0.929 22.7-164.3-110.4 129.7 17.1 58.4 49.2 43 59 A I E + c 0 77A 1 33,-3.0 35,-2.4 -2,-0.5 3,-0.1 -0.878 55.9 13.5-118.6 154.8 14.9 60.4 46.9 44 60 A L S S+ 0 0 2 -33,-0.5 -1,-0.2 -2,-0.3 2,-0.1 0.733 85.0 141.1 60.4 35.4 11.7 62.5 47.0 45 61 A A S > >S- 0 0 1 -34,-0.3 5,-1.7 -3,-0.2 3,-1.2 -0.139 73.2 -89.0 -92.6-174.9 11.7 62.6 50.8 46 62 A N G > 5S+ 0 0 9 1,-0.3 3,-1.8 3,-0.2 5,-0.2 0.914 130.3 55.0 -75.6 -30.5 10.7 65.4 53.0 47 63 A F G 3 5S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.1 -34,-0.2 0.535 101.5 61.8 -66.6 -5.0 14.4 66.7 53.0 48 64 A S G < 5S- 0 0 0 -3,-1.2 -1,-0.3 -36,-0.2 -2,-0.2 0.202 117.8-117.5 -99.2 10.5 13.9 66.6 49.2 49 65 A E T X 5 + 0 0 0 -3,-1.8 3,-2.4 1,-0.1 4,-0.2 0.818 56.6 161.5 59.5 30.1 11.1 69.2 49.6 50 66 A Q G > < + 0 0 18 -5,-1.7 3,-1.5 1,-0.3 -4,-0.1 0.816 63.5 65.3 -58.0 -27.9 8.7 66.6 48.1 51 67 A F G 3 S+ 0 0 10 1,-0.3 336,-0.5 -5,-0.2 337,-0.4 0.661 96.5 57.3 -67.1 -16.5 5.7 68.5 49.5 52 68 A A G < S+ 0 0 0 -3,-2.4 -1,-0.3 335,-0.2 2,-0.2 0.376 98.1 74.2 -94.7 3.2 6.4 71.5 47.2 53 69 A I S < S- 0 0 1 -3,-1.5 2,-0.1 -4,-0.2 334,-0.1 -0.685 76.1-116.1-114.4 171.4 6.2 69.5 44.0 54 70 A T > - 0 0 23 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.462 31.5-107.0 -95.4 170.4 3.5 68.0 41.8 55 71 A D H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.892 122.3 53.0 -61.7 -38.8 2.9 64.3 41.0 56 72 A D H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 109.9 48.7 -64.2 -42.9 4.1 64.9 37.5 57 73 A E H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.920 107.9 55.2 -63.4 -39.9 7.3 66.5 38.9 58 74 A R H X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.908 109.5 46.2 -56.6 -44.7 7.8 63.5 41.2 59 75 A D H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.923 111.5 51.4 -68.1 -44.5 7.6 61.1 38.3 60 76 A V H X S+ 0 0 40 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.943 113.0 45.3 -55.1 -49.0 10.0 63.2 36.2 61 77 A L H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.869 110.8 53.4 -67.2 -35.9 12.5 63.3 39.1 62 78 A T H X S+ 0 0 11 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.958 114.4 41.4 -61.6 -47.3 12.2 59.6 39.8 63 79 A R H X S+ 0 0 106 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.951 117.4 47.5 -60.7 -55.1 12.9 58.7 36.2 64 80 A T H X S+ 0 0 22 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.910 114.7 44.1 -58.7 -47.7 15.7 61.2 35.8 65 81 A I H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.938 113.0 49.3 -68.9 -42.3 17.5 60.4 39.0 66 82 A L H X>S+ 0 0 16 -4,-2.1 4,-1.5 -5,-0.3 5,-0.5 0.939 113.3 48.7 -63.0 -42.2 17.4 56.6 38.7 67 83 A E H <5S+ 0 0 156 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 0.956 112.7 47.3 -62.4 -43.5 18.6 56.8 35.1 68 84 A H H <5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.895 104.3 59.0 -70.4 -34.2 21.5 59.1 36.1 69 85 A V H ><5S- 0 0 2 -4,-2.6 3,-2.1 -5,-0.2 -1,-0.3 0.863 88.2-163.0 -63.4 -31.8 22.5 56.9 39.1 70 86 A A T 3<5 - 0 0 72 -4,-1.5 -3,-0.1 -3,-0.5 -2,-0.1 0.847 61.5 -60.5 60.0 35.5 23.0 54.2 36.5 71 87 A G T 3 S- 0 0 0 273,-0.5 4,-2.9 1,-0.2 5,-0.3 -0.445 71.5-152.1 -62.8 124.0 -4.1 56.0 49.3 84 100 A T H > S+ 0 0 3 496,-1.7 4,-2.9 -2,-0.3 5,-0.2 0.901 98.7 49.1 -54.4 -47.4 -2.8 52.4 49.5 85 101 A Q H > S+ 0 0 96 495,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.904 111.9 48.4 -68.5 -36.3 -3.5 51.8 45.8 86 102 A V H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.950 113.5 46.2 -66.4 -47.0 -1.7 55.0 44.9 87 103 A C H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.948 112.6 51.3 -62.4 -43.6 1.4 54.2 47.1 88 104 A A H X S+ 0 0 15 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.904 110.6 48.3 -53.3 -49.1 1.4 50.7 45.7 89 105 A A H X S+ 0 0 61 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.925 112.9 47.4 -63.1 -46.4 1.3 52.0 42.1 90 106 A R H X S+ 0 0 49 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.891 113.2 50.3 -55.0 -45.1 4.2 54.5 42.8 91 107 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.918 110.3 48.4 -65.5 -42.5 6.1 51.7 44.5 92 108 A L H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.934 111.6 50.1 -63.1 -44.5 5.7 49.3 41.6 93 109 A R H X S+ 0 0 87 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.915 108.5 52.4 -60.9 -41.6 6.7 52.0 39.1 94 110 A A H <>S+ 0 0 1 -4,-2.7 5,-2.5 1,-0.2 -1,-0.2 0.905 108.7 49.8 -59.0 -42.2 9.8 52.7 41.2 95 111 A Q H ><5S+ 0 0 54 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.894 108.0 54.7 -60.9 -40.3 10.7 49.0 41.1 96 112 A Q H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.848 107.4 50.5 -60.8 -35.8 10.2 49.0 37.3 97 113 A L T 3<5S- 0 0 60 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.417 130.9 -90.8 -85.1 0.2 12.7 51.8 36.9 98 114 A G T < 5 + 0 0 54 -3,-1.5 -23,-0.3 1,-0.2 -3,-0.2 0.525 65.1 161.7 104.4 9.7 15.4 50.1 39.1 99 115 A A < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -23,-0.2 -0.337 31.1-152.9 -61.1 142.7 14.7 51.2 42.7 100 116 A A S S- 0 0 23 -25,-2.3 2,-0.3 1,-0.3 -24,-0.2 0.676 74.8 -7.7 -87.6 -17.0 16.4 49.0 45.3 101 117 A M E -d 76 0A 1 -26,-1.3 -24,-2.3 32,-0.2 2,-0.3 -0.973 61.5-132.1-169.9 155.4 13.7 49.9 47.9 102 118 A V E -de 77 135A 1 32,-2.1 34,-2.9 -2,-0.3 2,-0.4 -0.913 14.0-152.4-118.3 156.0 10.8 52.2 48.6 103 119 A M E +de 78 136A 0 -26,-1.9 -24,-2.5 -2,-0.3 -23,-0.6 -0.992 15.9 176.6-123.6 134.5 10.1 54.3 51.7 104 120 A A E - e 0 137A 3 32,-2.8 34,-2.0 -2,-0.4 -2,-0.0 -0.992 24.6-140.7-139.2 134.2 6.7 55.3 53.0 105 121 A M - 0 0 3 -2,-0.4 -24,-0.3 32,-0.2 34,-0.1 -0.402 50.5 -87.6 -62.1 159.9 5.4 57.1 55.9 106 122 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.393 59.4 -83.4 -67.8 156.8 2.2 55.6 57.3 107 123 A P S S+ 0 0 2 0, 0.0 8,-0.4 0, 0.0 2,-0.3 -0.462 75.0 128.4 -62.6 133.2 -0.9 56.9 55.6 108 124 A Y - 0 0 21 6,-0.2 2,-0.3 -2,-0.1 6,-0.2 -0.923 41.8-140.4-166.9 168.8 -2.1 60.2 57.1 109 125 A H B >> -J 113 0C 43 4,-2.3 4,-2.3 -2,-0.3 3,-0.8 -0.937 55.9 -42.4-145.1 132.4 -3.0 63.7 56.0 110 126 A G T 34 S- 0 0 1 -2,-0.3 306,-0.2 1,-0.2 338,-0.2 -0.122 100.1 -44.7 54.0-154.2 -2.2 66.9 57.6 111 127 A A T 34 S+ 0 0 28 336,-2.8 -1,-0.2 304,-0.3 337,-0.1 0.491 135.8 34.2 -85.9 -5.9 -2.5 67.4 61.4 112 128 A T T <4 S+ 0 0 66 -3,-0.8 2,-0.8 335,-0.3 -2,-0.2 0.722 86.8 86.4-127.8 -22.0 -5.8 65.6 61.7 113 129 A F B < +J 109 0C 46 -4,-2.3 -4,-2.3 334,-0.1 2,-0.3 -0.773 53.0 160.5 -93.6 110.2 -6.5 62.7 59.3 114 130 A R - 0 0 89 -2,-0.8 -6,-0.2 -6,-0.2 30,-0.1 -0.850 31.2-135.2-122.8 172.5 -5.1 59.4 60.8 115 131 A V - 0 0 10 -8,-0.4 467,-0.1 -2,-0.3 5,-0.1 -0.955 28.0-108.9-128.4 135.6 -5.7 55.8 60.2 116 132 A P >> - 0 0 73 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.298 35.6-107.1 -66.2 157.7 -6.1 53.1 62.9 117 133 A E H 3> S+ 0 0 91 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.834 117.9 57.6 -55.4 -40.7 -3.2 50.6 63.4 118 134 A A H 3> S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.856 109.4 46.2 -57.8 -36.8 -5.1 47.7 61.8 119 135 A Q H <> S+ 0 0 31 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.810 110.1 53.4 -74.9 -35.7 -5.6 49.8 58.6 120 136 A I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.928 107.6 51.3 -62.9 -45.7 -1.9 50.9 58.6 121 137 A F H X S+ 0 0 35 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.951 111.8 46.8 -56.9 -45.5 -0.9 47.3 58.8 122 138 A E H X S+ 0 0 65 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.916 107.0 58.4 -62.5 -44.0 -3.2 46.5 55.8 123 139 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.964 112.5 39.4 -48.0 -54.0 -1.7 49.6 53.9 124 140 A Y H X S+ 0 0 0 -4,-2.3 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0 0 32 1,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.813 99.6 48.1 -61.6 -32.3 -32.1 70.4 52.4 524 235 B G H <4 S+ 0 0 3 -3,-1.7 4,-0.3 2,-0.1 -1,-0.2 0.815 118.7 38.7 -75.9 -30.9 -32.5 69.9 56.1 525 236 B I H >X S+ 0 0 1 -4,-1.4 3,-1.8 1,-0.2 4,-1.1 0.863 97.7 72.6 -91.4 -36.0 -30.0 72.7 57.0 526 237 B R H 3X S+ 0 0 73 -4,-2.9 4,-2.3 1,-0.3 3,-0.4 0.853 89.8 61.8 -49.6 -40.1 -30.7 75.4 54.5 527 238 B P H 3> S+ 0 0 40 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.810 96.9 59.9 -60.8 -26.4 -34.0 76.4 56.1 528 239 B I H <> S+ 0 0 0 -3,-1.8 4,-2.2 -4,-0.3 -2,-0.2 0.932 108.1 44.3 -61.2 -45.2 -32.1 77.3 59.3 529 240 B L H X S+ 0 0 9 -4,-1.1 4,-2.5 -3,-0.4 -1,-0.2 0.887 114.4 49.5 -66.7 -37.5 -30.2 79.9 57.3 530 241 B E H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.923 110.2 49.3 -70.8 -37.7 -33.3 81.1 55.5 531 242 B A H <>S+ 0 0 2 -4,-2.9 5,-2.4 2,-0.2 4,-0.2 0.930 113.2 48.0 -62.1 -42.0 -35.2 81.5 58.8 532 243 B W H ><5S+ 0 0 46 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.938 109.6 52.4 -63.9 -45.2 -32.2 83.4 60.3 533 244 B R H 3<5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.884 106.7 54.2 -62.2 -33.3 -32.1 85.6 57.2 534 245 B E T 3<5S- 0 0 121 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.416 119.8-108.8 -81.4 3.0 -35.9 86.4 57.6 535 246 B G T < 5S+ 0 0 52 -3,-1.8 2,-1.1 -4,-0.2 3,-0.2 0.641 79.4 130.6 82.9 14.1 -35.3 87.6 61.2 536 247 B R >< + 0 0 134 -5,-2.4 4,-2.6 1,-0.2 -1,-0.2 -0.647 21.2 165.3-106.5 77.0 -37.0 84.6 62.8 537 248 B H H > S+ 0 0 88 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.851 75.4 50.7 -66.8 -34.8 -34.5 83.5 65.3 538 249 B D H > S+ 0 0 145 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 110.6 48.9 -68.6 -38.4 -36.9 81.3 67.2 539 250 B D H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.900 109.3 53.0 -68.0 -38.6 -38.0 79.5 64.1 540 251 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.952 107.6 53.1 -57.9 -44.0 -34.3 79.0 63.2 541 252 B Y H X S+ 0 0 133 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.892 108.4 49.1 -55.5 -48.2 -33.8 77.5 66.7 542 253 B A H X S+ 0 0 51 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.889 112.5 46.4 -61.8 -41.5 -36.6 75.0 66.1 543 254 B R H X S+ 0 0 107 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.884 113.7 48.8 -67.7 -40.8 -35.3 73.9 62.7 544 255 B Y H X S+ 0 0 30 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.921 109.7 53.5 -62.9 -43.7 -31.8 73.6 64.1 545 256 B Q H < S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 107.7 50.8 -58.7 -46.9 -33.1 71.5 67.1 546 257 B A H < S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.898 120.7 32.0 -56.4 -42.9 -34.9 69.1 64.8 547 258 B W H >X S+ 0 0 34 -4,-1.6 4,-2.0 1,-0.2 3,-1.2 0.638 92.3 93.4 -96.3 -13.4 -31.8 68.4 62.6 548 259 B L H 3X S+ 0 0 52 -4,-2.4 4,-3.4 1,-0.3 5,-0.3 0.827 80.0 58.3 -51.8 -38.3 -29.1 68.8 65.2 549 260 B P H 3> S+ 0 0 69 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.880 109.4 45.1 -62.6 -31.8 -28.9 65.0 66.1 550 261 B L H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.916 114.7 47.6 -71.3 -41.9 -28.2 64.2 62.4 551 262 B I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -49,-0.2 0.944 113.6 49.3 -63.6 -47.7 -25.6 67.0 62.2 552 263 B N H X S+ 0 0 68 -4,-3.4 4,-3.0 2,-0.2 5,-0.4 0.894 108.9 50.9 -58.9 -43.2 -24.1 65.8 65.5 553 264 B H H X>S+ 0 0 11 -4,-2.0 5,-2.4 -5,-0.3 4,-2.4 0.919 113.4 47.2 -63.7 -40.7 -23.9 62.2 64.4 554 265 B E H <>S+ 0 0 0 -4,-2.4 5,-2.0 3,-0.2 -2,-0.2 0.962 116.1 43.8 -58.7 -52.2 -22.1 63.3 61.2 555 266 B N H <5S+ 0 0 35 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.898 129.1 23.5 -63.7 -41.2 -19.8 65.5 63.0 556 267 B R H <5S+ 0 0 176 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.717 132.1 18.6-101.6 -23.2 -18.9 63.0 65.9 557 268 B Q T <5S+ 0 0 108 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.838 127.1 24.5-118.9 -57.4 -19.6 59.5 64.7 558 269 B S T > < + 0 0 20 -5,-2.0 3,-1.7 -6,-0.6 4,-0.4 -0.096 61.2 2.0 59.3-142.9 -17.8 61.8 59.7 560 271 B I G > S+ 0 0 16 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.849 129.9 56.0 -49.5 -42.6 -16.7 62.2 56.0 561 272 B L G <> S+ 0 0 4 -3,-0.8 4,-2.9 1,-0.2 3,-0.3 0.628 81.5 91.0 -70.3 -9.4 -18.6 59.0 54.9 562 273 B T H <> S+ 0 0 0 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.2 0.888 86.9 46.9 -53.6 -55.0 -21.9 60.2 56.2 563 274 B A H <> S+ 0 0 3 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.3 0.854 114.8 48.5 -58.0 -40.4 -23.0 61.8 53.0 564 275 B K H > S+ 0 0 0 -4,-0.4 4,-2.5 -3,-0.3 -2,-0.2 0.886 107.9 52.0 -70.8 -40.7 -21.9 58.8 51.0 565 276 B A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.932 114.2 46.1 -55.7 -46.4 -23.7 56.2 53.3 566 277 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.2 0.922 113.7 47.2 -62.3 -49.9 -26.9 58.3 52.9 567 278 B M H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 6,-1.1 0.871 113.2 48.1 -60.9 -34.7 -26.5 58.7 49.1 568 279 B R H ><5S+ 0 0 111 -4,-2.5 3,-1.5 4,-0.2 -2,-0.2 0.934 111.1 50.8 -75.0 -42.0 -25.8 54.9 48.7 569 280 B E H 3<5S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.909 111.9 48.7 -56.8 -43.2 -28.8 54.0 50.9 570 281 B G T 3<5S- 0 0 21 -4,-2.5 37,-0.3 -5,-0.2 -1,-0.3 0.453 116.1-114.2 -76.0 0.7 -31.0 56.4 48.7 571 282 B G T < 5S+ 0 0 44 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.586 83.2 122.6 73.5 11.5 -29.7 54.9 45.5 572 283 B V S - 0 0 10 -2,-0.1 3,-2.1 -225,-0.1 -255,-0.1 -0.805 65.2 -69.0 -92.1 142.6 -10.4 54.3 49.4 580 291 B H T 3 S+ 0 0 29 -2,-0.4 -496,-1.7 1,-0.3 -495,-0.5 -0.376 117.7 35.4 -54.9 137.9 -8.3 52.0 51.5 581 292 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -458,-0.1 -0.912 92.3 95.2 -96.0 11.3 -6.9 52.7 54.1 582 293 B M S < S- 0 0 23 -3,-2.1 -467,-0.1 1,-0.1 2,-0.1 -0.463 85.1-114.6 -61.5 128.9 -9.7 55.1 55.3 583 294 B P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.393 22.1-113.2 -70.3 146.6 -11.8 52.7 57.5 584 295 B E - 0 0 75 1,-0.1 2,-0.1 -2,-0.1 -7,-0.1 -0.280 45.5 -86.7 -61.6 157.6 -15.3 51.7 56.6 585 296 B L - 0 0 30 1,-0.1 -1,-0.1 -24,-0.1 -27,-0.1 -0.462 48.2-109.9 -63.1 141.5 -18.2 53.0 58.9 586 297 B H > - 0 0 135 -2,-0.1 4,-2.2 1,-0.1 5,-0.3 -0.502 29.6-115.0 -69.1 147.8 -18.7 50.7 61.8 587 298 B P H > S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.838 113.2 44.7 -53.3 -47.1 -22.0 48.8 61.4 588 299 B D H > S+ 0 0 121 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.902 111.8 53.9 -66.8 -42.6 -23.8 50.3 64.5 589 300 B T H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 113.5 42.4 -53.6 -44.3 -22.6 53.8 63.6 590 301 B R H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.891 113.6 51.6 -72.6 -41.6 -24.1 53.4 60.1 591 302 B A H X S+ 0 0 59 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.953 112.0 47.8 -60.3 -42.2 -27.3 51.8 61.4 592 303 B E H X S+ 0 0 96 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.859 108.7 54.0 -65.4 -40.4 -27.7 54.7 63.8 593 304 B L H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.920 110.6 44.9 -62.0 -46.7 -27.1 57.2 61.2 594 305 B L H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.883 110.2 56.0 -66.0 -35.0 -29.8 55.8 58.9 595 306 B A H X S+ 0 0 38 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.910 110.5 44.4 -64.3 -38.6 -32.2 55.6 61.9 596 307 B I H >X S+ 0 0 28 -4,-2.0 3,-1.2 1,-0.2 4,-0.6 0.940 111.7 52.0 -69.6 -42.0 -31.8 59.3 62.6 597 308 B A H >X S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 4,-0.9 0.915 103.5 59.0 -62.9 -39.0 -32.1 60.3 59.0 598 309 B R H 3< S+ 0 0 138 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 98.8 59.1 -65.2 -18.7 -35.4 58.3 58.7 599 310 B R H << S+ 0 0 196 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.653 110.7 43.1 -78.0 -14.4 -36.9 60.4 61.5 600 311 B L H << S- 0 0 33 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.488 94.6-138.2-114.1 -9.3 -36.2 63.5 59.4 601 312 B D < - 0 0 104 -4,-0.9 -3,-0.1 1,-0.1 2,-0.1 0.896 29.4-170.7 56.3 49.7 -37.3 62.5 55.8 602 313 B P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.402 33.2-113.1 -72.8 156.4 -34.4 64.1 53.9 603 314 B L G > S+ 0 0 28 1,-0.3 3,-2.5 2,-0.2 -82,-0.1 0.833 108.9 72.0 -58.7 -30.8 -34.5 64.2 50.2 604 315 B V G 3 S+ 0 0 0 -84,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.773 97.0 49.8 -64.7 -20.9 -31.6 61.9 49.8 605 316 B L G < S+ 0 0 47 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.417 119.9 35.8 -93.7 1.0 -33.7 58.9 50.9 606 317 B R S < S+ 0 0 129 -3,-2.5 2,-0.8 -4,-0.3 -1,-0.2 -0.207 74.8 140.8-142.4 49.2 -36.6 59.7 48.4 607 318 B W - 0 0 16 -3,-0.4 2,-1.6 -37,-0.3 -270,-0.1 -0.854 38.4-156.3-105.4 111.8 -34.8 61.1 45.4 608 319 B A 0 0 90 -2,-0.8 -1,-0.1 1,-0.3 -37,-0.1 -0.468 360.0 360.0 -98.1 61.6 -36.7 59.7 42.4 609 320 B H 0 0 147 -2,-1.6 -1,-0.3 -276,-0.0 -38,-0.1 0.339 360.0 360.0-141.3 360.0 -34.0 59.8 39.8