==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-OCT-11 3U8G . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR M.KUMAR,S.KAUSHIK,A.BHUSHAN,M.SINHA,P.KAUR,S.SHARMA,T.P.SING . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.3 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 . 35 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.9 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 0 2 0 4 0 2 2 2 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 6 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 . 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 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 1 A T 0 0 158 0, 0.0 2,-0.3 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 -27.0 -5.3 22.8 21.5 2 2 A I + 0 0 28 2,-0.0 2,-0.3 199,-0.0 36,-0.1 -0.521 360.0 179.1 -66.5 128.1 -9.1 22.8 21.1 3 3 A Q + 0 0 100 -2,-0.3 2,-0.3 34,-0.1 198,-0.3 -0.936 26.9 24.4-131.6 157.4 -10.7 22.3 24.6 4 4 A G E S+a 201 0A 7 196,-2.0 198,-2.2 -2,-0.3 2,-0.7 -0.708 100.9 1.5 105.5-147.9 -14.1 22.1 26.3 5 5 A S E -a 202 0A 0 -2,-0.3 32,-1.7 30,-0.3 33,-1.3 -0.758 60.1-174.9 -85.4 115.4 -17.5 21.0 25.0 6 6 A I E -ab 203 38A 4 196,-2.8 198,-2.0 -2,-0.7 2,-0.3 -0.911 17.3-143.0-116.4 102.2 -17.2 20.0 21.3 7 7 A V E -ab 204 39A 0 31,-2.0 33,-3.2 -2,-0.7 2,-1.5 -0.504 7.0-147.2 -72.7 127.5 -20.7 19.3 19.9 8 8 A A E - b 0 40A 3 196,-2.6 33,-0.1 -2,-0.3 200,-0.1 -0.765 38.5-146.5 -83.6 87.2 -20.9 16.4 17.4 9 9 A I - 0 0 1 -2,-1.5 34,-0.4 31,-1.2 33,-0.3 -0.314 2.5-125.9 -71.8 140.6 -23.7 18.3 15.7 10 10 A V - 0 0 0 195,-0.1 36,-0.3 36,-0.1 32,-0.1 -0.264 20.0-122.2 -68.2 162.8 -26.6 16.6 14.0 11 11 A T - 0 0 0 34,-0.5 10,-0.1 30,-0.1 -1,-0.1 -0.913 30.9-137.4-108.1 101.1 -27.4 17.4 10.3 12 12 A P - 0 0 0 0, 0.0 8,-2.9 0, 0.0 2,-0.3 -0.302 26.3-169.2 -59.1 140.3 -31.0 18.7 10.5 13 13 A M B -I 19 0B 0 252,-0.4 252,-1.2 250,-0.4 250,-0.3 -0.956 21.4-116.9-133.8 153.7 -33.1 17.4 7.6 14 14 A L > - 0 0 71 4,-3.0 3,-2.5 -2,-0.3 252,-0.1 -0.276 48.0 -91.5 -76.3 167.4 -36.6 18.0 6.1 15 15 A K T 3 S+ 0 0 148 1,-0.3 251,-0.3 250,-0.2 -1,-0.1 0.847 129.1 53.4 -51.8 -35.3 -39.2 15.3 6.2 16 16 A D T 3 S- 0 0 138 249,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.374 122.8-104.5 -85.2 5.9 -38.0 14.1 2.8 17 17 A G S < S+ 0 0 10 -3,-2.5 -2,-0.1 1,-0.3 250,-0.1 0.274 74.8 139.2 91.4 -10.6 -34.4 13.8 4.0 18 18 A G - 0 0 24 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.365 67.0 -92.2 -62.9 148.0 -33.1 16.9 2.3 19 19 A V B -I 13 0B 8 -6,-0.2 2,-1.2 1,-0.1 -6,-0.3 -0.417 31.6-135.7 -62.7 133.2 -30.7 19.0 4.4 20 20 A D > + 0 0 22 -8,-2.9 4,-2.0 1,-0.2 5,-0.2 -0.751 27.0 179.7 -92.3 87.9 -32.5 21.6 6.4 21 21 A W H > S+ 0 0 80 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.854 76.0 50.0 -62.3 -43.1 -30.1 24.6 5.8 22 22 A K H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 111.7 47.7 -63.0 -44.7 -32.1 27.1 7.8 23 23 A S H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.856 110.1 53.7 -66.3 -33.3 -32.4 24.9 10.9 24 24 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.945 108.1 50.1 -64.2 -46.8 -28.6 24.0 10.7 25 25 A E H X S+ 0 0 57 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.932 109.8 50.6 -53.4 -50.6 -27.8 27.8 10.7 26 26 A K H X S+ 0 0 108 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.907 110.1 50.0 -58.1 -43.3 -30.0 28.3 13.8 27 27 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.899 108.9 51.1 -58.4 -44.8 -28.4 25.5 15.6 28 28 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.942 112.8 46.4 -62.0 -48.7 -24.8 26.7 14.9 29 29 A E H X S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.908 111.7 51.5 -56.7 -44.9 -25.8 30.2 16.2 30 30 A W H X S+ 0 0 55 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.902 107.8 52.5 -60.7 -43.2 -27.5 28.7 19.3 31 31 A H H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.7 0.923 111.1 46.3 -59.1 -42.6 -24.4 26.7 20.1 32 32 A I H ><5S+ 0 0 31 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.926 114.5 47.2 -66.8 -45.7 -22.1 29.7 20.0 33 33 A E H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.874 111.7 52.4 -61.2 -39.1 -24.6 31.8 22.1 34 34 A Q H 3<5S- 0 0 58 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.532 121.9 -99.9 -81.3 -6.7 -24.9 29.0 24.6 35 35 A G T <<5 + 0 0 27 -3,-0.9 -30,-0.3 -4,-0.7 -3,-0.2 0.484 61.3 159.7 101.3 4.4 -21.1 28.5 25.2 36 36 A T < - 0 0 3 -5,-2.4 -1,-0.3 -6,-0.2 -30,-0.1 -0.390 30.1-151.3 -56.1 134.7 -20.3 25.5 23.0 37 37 A N - 0 0 59 -32,-1.7 2,-0.3 1,-0.2 -31,-0.2 0.745 65.0 -5.8 -87.8 -24.9 -16.6 25.6 22.5 38 38 A S E -b 6 0A 0 -33,-1.3 -31,-2.0 33,-0.2 2,-0.4 -0.968 60.8-133.2-162.7 159.6 -16.2 23.8 19.1 39 39 A I E -bc 7 73A 0 33,-1.5 35,-3.2 -2,-0.3 2,-0.7 -0.993 5.3-149.9-124.0 133.4 -18.4 22.0 16.5 40 40 A V E -bc 8 74A 3 -33,-3.2 -31,-1.2 -2,-0.4 3,-0.4 -0.914 22.7-152.2 -95.5 117.8 -17.7 18.7 14.7 41 41 A A E - c 0 75A 0 33,-3.1 35,-3.3 -2,-0.7 19,-0.1 -0.734 67.6 -2.6 -91.6 140.3 -19.4 18.9 11.3 42 42 A V S S+ 0 0 1 -2,-0.4 -1,-0.2 -33,-0.3 2,-0.1 0.875 89.9 140.1 46.4 50.8 -20.5 15.7 9.6 43 43 A G S >S- 0 0 8 -3,-0.4 5,-1.6 -34,-0.4 3,-0.4 -0.179 75.7 -67.4 -94.4-162.3 -19.3 13.2 12.1 44 44 A T T > 5S+ 0 0 16 1,-0.2 3,-1.6 2,-0.2 5,-0.1 0.903 138.4 50.1 -55.4 -46.4 -21.2 10.1 13.2 45 45 A T T 3 5S+ 0 0 1 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.761 106.3 58.2 -68.9 -24.5 -23.9 12.2 14.9 46 46 A G T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 -36,-0.3 -2,-0.2 0.215 115.7-112.6 -87.7 13.1 -24.2 14.2 11.7 47 47 A E T X>5 + 0 0 7 -3,-1.6 3,-1.2 1,-0.1 4,-0.7 0.871 51.5 167.8 56.6 43.0 -25.0 11.2 9.5 48 48 A A G >4 - 0 0 36 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.190 28.1-104.0 -69.5 167.0 -23.3 12.7 -0.4 53 53 A M H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.919 125.1 47.6 -55.0 -46.1 -19.8 14.0 -1.2 54 54 A E H > S+ 0 0 137 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.915 111.5 49.8 -60.9 -45.9 -21.3 17.4 -2.3 55 55 A E H > S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.879 106.5 55.9 -66.9 -34.3 -23.5 17.5 0.9 56 56 A H H X S+ 0 0 21 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.954 111.5 44.1 -60.5 -45.9 -20.5 16.8 3.1 57 57 A T H X S+ 0 0 42 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.927 113.9 50.0 -63.8 -44.9 -18.8 19.8 1.5 58 58 A Q H X S+ 0 0 63 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.900 110.0 49.6 -62.5 -43.6 -21.9 22.0 1.8 59 59 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.929 113.9 45.6 -63.5 -43.0 -22.5 21.2 5.4 60 60 A I H X S+ 0 0 8 -4,-2.0 4,-2.3 -5,-0.3 5,-0.2 0.944 114.1 48.9 -64.4 -44.3 -18.9 22.0 6.4 61 61 A K H X S+ 0 0 115 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.904 112.6 48.3 -61.0 -43.6 -19.0 25.1 4.3 62 62 A E H X S+ 0 0 44 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.883 111.3 48.7 -65.0 -41.0 -22.3 26.3 5.9 63 63 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.923 113.6 47.3 -66.8 -40.3 -21.1 25.6 9.5 64 64 A I H X S+ 0 0 33 -4,-2.3 4,-1.8 -5,-0.2 5,-0.5 0.926 112.1 51.1 -63.9 -46.1 -17.9 27.5 8.8 65 65 A R H < S+ 0 0 142 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.928 115.0 40.9 -56.7 -50.9 -19.8 30.4 7.2 66 66 A V H < S+ 0 0 14 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 111.9 55.3 -68.4 -38.0 -22.3 30.8 10.1 67 67 A A H >< S- 0 0 0 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.2 0.840 85.0-163.7 -66.2 -31.5 -19.6 30.3 12.8 68 68 A N T 3< - 0 0 117 -4,-1.8 -3,-0.1 1,-0.3 -4,-0.1 0.887 65.7 -60.1 47.4 47.1 -17.6 33.2 11.3 69 69 A K T 3 S+ 0 0 194 -5,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.545 106.1 122.6 63.2 13.3 -14.4 32.1 13.1 70 70 A R S < S+ 0 0 110 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.821 83.7 11.5 -73.0 -30.6 -16.0 32.6 16.6 71 71 A I S S- 0 0 21 -4,-0.1 -2,-0.2 -32,-0.0 -1,-0.2 -0.978 93.5 -93.2-141.2 153.2 -15.2 28.9 17.5 72 72 A P - 0 0 39 0, 0.0 -33,-1.5 0, 0.0 2,-0.5 -0.415 34.6-146.4 -68.2 145.1 -13.0 26.2 15.8 73 73 A I E -c 39 0A 2 23,-0.2 25,-2.4 -35,-0.2 26,-1.0 -0.955 7.8-160.1-114.9 126.3 -14.8 23.9 13.4 74 74 A I E -cd 40 99A 7 -35,-3.2 -33,-3.1 -2,-0.5 2,-0.5 -0.911 11.3-143.8-107.7 129.9 -13.7 20.3 13.1 75 75 A A E -cd 41 100A 0 24,-2.6 26,-2.8 -2,-0.5 2,-0.5 -0.853 10.8-131.6 -98.7 126.9 -14.6 18.4 10.0 76 76 A G E + d 0 101A 6 -35,-3.3 26,-0.2 -2,-0.5 -16,-0.1 -0.657 40.5 158.1 -68.9 121.7 -15.5 14.7 10.1 77 77 A T + 0 0 2 24,-2.4 12,-0.3 -2,-0.5 11,-0.2 0.144 17.9 137.8-135.4 15.5 -13.4 13.3 7.2 78 78 A G + 0 0 18 23,-0.8 2,-0.3 10,-0.1 26,-0.1 -0.259 19.2 163.7 -67.1 151.6 -13.1 9.6 8.1 79 79 A A - 0 0 0 24,-0.5 6,-0.1 9,-0.0 -2,-0.1 -0.959 45.8-122.0-155.5 163.6 -13.4 6.8 5.5 80 80 A N S S+ 0 0 9 -2,-0.3 2,-0.4 25,-0.2 3,-0.1 0.387 98.1 72.3 -94.2 5.3 -12.5 3.1 5.4 81 81 A S S > S- 0 0 1 1,-0.1 4,-2.5 480,-0.1 5,-0.2 -0.977 74.6-147.6-114.6 131.1 -10.4 3.8 2.3 82 82 A T H > S+ 0 0 7 478,-1.3 4,-2.3 -2,-0.4 5,-0.2 0.911 101.1 52.3 -66.0 -39.7 -7.1 5.6 2.9 83 83 A R H > S+ 0 0 98 477,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.923 111.5 45.9 -58.0 -47.3 -7.4 7.2 -0.6 84 84 A E H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 110.0 54.1 -66.7 -38.8 -10.9 8.5 0.2 85 85 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.905 108.1 50.5 -61.4 -40.0 -9.9 9.7 3.7 86 86 A I H X S+ 0 0 30 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.951 110.7 48.9 -61.4 -47.6 -7.1 11.8 2.0 87 87 A E H X S+ 0 0 82 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.916 113.8 45.4 -58.9 -48.1 -9.6 13.3 -0.5 88 88 A L H X S+ 0 0 14 -4,-2.5 4,-2.2 -11,-0.2 -1,-0.2 0.870 113.7 49.2 -63.4 -39.2 -12.1 14.2 2.3 89 89 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 -12,-0.3 -2,-0.2 0.907 109.9 50.9 -70.2 -41.3 -9.4 15.7 4.5 90 90 A K H X S+ 0 0 98 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.911 110.3 50.5 -58.3 -44.8 -7.9 17.8 1.7 91 91 A A H X S+ 0 0 31 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.931 109.4 50.6 -60.2 -43.5 -11.4 19.1 1.0 92 92 A A H X>S+ 0 0 1 -4,-2.2 5,-2.4 2,-0.2 4,-0.6 0.930 110.2 49.4 -60.9 -44.3 -11.9 20.0 4.6 93 93 A K H ><5S+ 0 0 90 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.951 111.4 49.9 -57.3 -47.8 -8.5 21.8 4.7 94 94 A D H 3<5S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.810 105.7 55.7 -62.1 -34.0 -9.5 23.7 1.6 95 95 A L H 3<5S- 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.567 123.0-105.2 -75.4 -10.1 -12.8 24.7 3.0 96 96 A G T <<5 + 0 0 42 -3,-1.4 -23,-0.2 -4,-0.6 -3,-0.2 0.658 58.1 167.7 96.1 17.1 -11.0 26.3 6.0 97 97 A A < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.2 -23,-0.2 -0.324 35.2-140.0 -61.2 147.2 -11.7 23.7 8.7 98 98 A D S S- 0 0 78 -25,-2.4 2,-0.3 1,-0.2 -24,-0.2 0.759 78.5 -12.9 -80.8 -26.9 -9.5 24.1 11.8 99 99 A A E -d 74 0A 2 -26,-1.0 -24,-2.6 29,-0.1 2,-0.4 -0.952 65.2-123.0-161.0 171.0 -9.0 20.3 12.2 100 100 A A E -de 75 130A 0 29,-2.2 31,-2.8 -2,-0.3 2,-0.5 -0.957 11.4-147.1-126.3 146.5 -10.3 17.0 10.9 101 101 A L E -de 76 131A 7 -26,-2.8 -24,-2.4 -2,-0.4 -23,-0.8 -0.966 17.0-170.8-114.4 123.6 -11.8 14.1 12.8 102 102 A L E - e 0 132A 1 29,-2.7 31,-1.1 -2,-0.5 -26,-0.1 -0.898 10.8-151.4-125.5 103.7 -11.1 10.6 11.4 103 103 A V E - e 0 133A 9 -2,-0.6 -24,-0.5 29,-0.2 31,-0.2 -0.350 39.2 -94.2 -61.7 149.1 -12.8 7.5 12.7 104 104 A T - 0 0 0 29,-2.1 -1,-0.1 1,-0.1 37,-0.1 -0.374 57.9 -81.3 -58.6 146.7 -10.7 4.3 12.3 105 105 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 4,-0.2 -0.286 56.2-148.4 -49.6 130.1 -11.6 2.5 9.1 106 106 A Y + 0 0 27 -3,-0.1 2,-2.7 2,-0.1 34,-0.2 -0.617 62.7 11.1-103.5 162.2 -14.7 0.5 9.7 107 107 A Y S S+ 0 0 9 32,-1.8 -1,-0.1 323,-0.7 325,-0.1 -0.219 112.9 70.0 71.4 -54.4 -15.9 -2.8 8.4 108 108 A N S S- 0 0 10 -2,-2.7 -1,-0.2 -28,-0.0 -2,-0.1 0.576 88.3-145.4 -76.2 -9.0 -12.6 -3.8 6.7 109 109 A K - 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0 0 37 -25,-0.3 4,-1.4 1,-0.1 3,-0.9 -0.873 60.3-165.6-129.9 100.5 -18.1 -19.2 7.8 480 188 B D H 3> S+ 0 0 5 -2,-0.4 4,-0.5 1,-0.2 3,-0.4 0.852 86.7 61.9 -53.4 -39.7 -15.8 -21.7 6.2 481 189 B E H 34 S+ 0 0 107 51,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.878 120.8 22.0 -56.8 -40.6 -15.0 -23.4 9.5 482 190 B T H X> S+ 0 0 15 -3,-0.9 4,-2.0 1,-0.1 3,-0.7 0.392 92.7 104.3-107.5 3.0 -18.6 -24.5 10.0 483 191 B A H 3X S+ 0 0 1 -4,-1.4 4,-2.8 -3,-0.4 5,-0.3 0.890 77.8 56.3 -55.2 -46.5 -20.0 -24.4 6.4 484 192 B W H 3X S+ 0 0 42 -4,-0.5 4,-1.6 1,-0.2 -1,-0.3 0.875 109.4 46.8 -53.2 -41.2 -19.9 -28.1 5.9 485 193 B E H <> S+ 0 0 67 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.912 111.2 50.6 -66.9 -45.9 -22.2 -28.5 9.0 486 194 B L H <>S+ 0 0 6 -4,-2.0 5,-2.7 1,-0.2 -2,-0.2 0.889 110.1 50.2 -62.0 -37.5 -24.6 -25.8 7.9 487 195 B M H ><5S+ 0 0 0 -4,-2.8 3,-1.3 3,-0.2 -1,-0.2 0.878 107.3 53.6 -68.6 -35.4 -24.9 -27.4 4.4 488 196 B L H 3<5S+ 0 0 31 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.810 108.5 51.8 -66.0 -27.0 -25.6 -30.8 6.0 489 197 B L T 3<5S- 0 0 64 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.363 138.3 -79.3 -91.6 3.8 -28.4 -29.0 8.0 490 198 B G T < 5S+ 0 0 30 -3,-1.3 -15,-0.3 1,-0.3 -3,-0.2 0.410 76.3 148.0 117.9 1.1 -29.9 -27.5 4.8 491 199 B A < - 0 0 1 -5,-2.7 -1,-0.3 -8,-0.1 -15,-0.2 -0.365 47.2-133.9 -61.2 145.6 -27.8 -24.5 3.7 492 200 B D - 0 0 41 -17,-2.8 -196,-2.0 1,-0.1 2,-0.3 0.527 68.0 -45.9 -81.0 -7.0 -27.8 -24.0 -0.0 493 201 B G E -jq 296 476C 0 -18,-0.6 -16,-2.4 -198,-0.2 2,-0.4 -0.986 57.9 -84.3 164.4-173.0 -24.0 -23.4 -0.2 494 202 B N E -jq 297 477C 0 -198,-2.3 -196,-2.7 -2,-0.3 2,-1.1 -0.988 16.6-151.8-133.3 119.9 -21.0 -21.7 1.1 495 203 B I E -j 298 0C 5 -18,-2.7 2,-0.3 -2,-0.4 -196,-0.2 -0.825 47.2-162.0 -92.5 98.4 -19.9 -18.2 0.1 496 204 B S E -j 299 0C 0 -198,-2.2 -196,-2.7 -2,-1.1 4,-0.1 -0.639 50.0-174.4-110.1 143.4 -16.4 -19.0 0.8 497 205 B V S > S+ 0 0 12 -2,-0.3 3,-2.3 -198,-0.2 4,-0.3 0.858 96.5 56.0 -85.4 -49.8 -12.9 -17.5 1.4 498 206 B T G >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-1.8 0.817 92.8 70.9 -53.8 -33.5 -11.1 -20.9 1.4 499 207 B A G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.750 83.0 73.9 -57.7 -22.7 -12.5 -21.6 -2.1 500 208 B N G <4 S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.835 114.6 19.2 -55.2 -36.2 -10.1 -18.9 -3.4 501 209 B I T <4 S+ 0 0 4 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.592 135.9 36.5-115.1 -16.5 -7.2 -21.2 -2.9 502 210 B A X + 0 0 9 -4,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.451 66.8 150.8-129.9 61.0 -8.9 -24.7 -2.8 503 211 B P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.894 74.0 47.6 -64.1 -39.5 -11.7 -24.3 -5.4 504 212 B K H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.959 114.5 46.6 -66.6 -46.4 -11.8 -28.0 -6.4 505 213 B A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 114.0 46.9 -62.4 -41.8 -11.8 -29.2 -2.8 506 214 B M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.885 107.5 56.7 -70.9 -34.9 -14.5 -26.8 -1.7 507 215 B S H X S+ 0 0 17 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.877 110.3 46.7 -59.7 -36.9 -16.7 -27.6 -4.7 508 216 B E H X S+ 0 0 86 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.917 109.6 51.8 -71.6 -43.8 -16.5 -31.2 -3.5 509 217 B V H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.928 113.0 45.9 -58.6 -45.4 -17.2 -30.4 0.2 510 218 B C H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.923 110.9 52.5 -64.2 -44.6 -20.3 -28.5 -0.9 511 219 B A H X S+ 0 0 62 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.951 114.8 40.8 -56.2 -50.4 -21.5 -31.2 -3.3 512 220 B V H <>S+ 0 0 20 -4,-2.6 5,-2.7 2,-0.2 9,-0.2 0.846 116.0 49.4 -70.3 -33.8 -21.3 -33.9 -0.7 513 221 B A H ><5S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.3 -1,-0.2 0.913 111.1 49.1 -71.3 -41.4 -22.8 -31.8 2.1 514 222 B I H 3<5S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.877 108.3 54.8 -61.7 -36.4 -25.7 -30.6 -0.0 515 223 B A T 3<5S- 0 0 76 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.502 117.6-120.3 -75.0 -4.1 -26.2 -34.3 -0.9 516 224 B K T < 5 + 0 0 101 -3,-1.3 2,-1.2 1,-0.2 -3,-0.2 0.809 60.2 151.4 68.1 34.8 -26.4 -34.9 2.9 517 225 B D >< - 0 0 60 -5,-2.7 4,-2.5 1,-0.2 -1,-0.2 -0.794 21.8-175.9 -97.2 89.8 -23.5 -37.3 3.0 518 226 B E H > S+ 0 0 110 -2,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.889 77.2 46.9 -57.2 -45.2 -22.3 -36.6 6.5 519 227 B Q H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 113.3 46.3 -69.6 -42.5 -19.3 -38.8 6.4 520 228 B Q H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.908 112.1 53.2 -64.2 -40.4 -17.9 -37.6 3.1 521 229 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 -9,-0.2 5,-0.3 0.937 111.8 44.9 -58.8 -45.4 -18.5 -34.0 4.2 522 230 B K H X S+ 0 0 78 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.936 115.7 46.8 -64.0 -46.9 -16.5 -34.6 7.4 523 231 B T H X S+ 0 0 68 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.927 116.2 42.1 -62.5 -49.9 -13.7 -36.4 5.6 524 232 B L H X S+ 0 0 29 -4,-2.9 4,-0.6 1,-0.2 3,-0.5 0.910 115.7 49.3 -66.8 -41.0 -13.3 -33.9 2.7 525 233 B N H >X S+ 0 0 10 -4,-2.4 3,-1.2 -5,-0.3 4,-0.8 0.874 102.6 63.6 -65.8 -35.3 -13.6 -30.9 4.9 526 234 B N H >< S+ 0 0 123 -4,-2.2 3,-0.7 1,-0.3 4,-0.4 0.855 94.9 59.8 -56.0 -38.4 -11.0 -32.4 7.3 527 235 B K H 3< S+ 0 0 140 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.776 118.8 28.2 -61.9 -29.8 -8.4 -32.2 4.6 528 236 B I H XX S+ 0 0 8 -3,-1.2 4,-1.3 -4,-0.6 3,-0.6 0.290 88.0 107.1-114.4 10.2 -8.8 -28.4 4.3 529 237 B A H > S+ 0 0 115 -4,-0.4 4,-2.5 1,-0.2 3,-0.6 0.852 102.3 57.5 -62.3 -34.7 -6.5 -26.0 8.7 531 239 B L H <> S+ 0 0 2 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.871 97.8 60.1 -62.1 -38.3 -6.9 -23.6 5.8 532 240 B H H 3< S+ 0 0 5 -4,-1.3 -51,-0.3 -3,-0.3 -1,-0.2 0.787 113.0 39.1 -61.8 -27.2 -10.2 -22.3 7.2 533 241 B N H X< S+ 0 0 83 -4,-0.8 3,-1.7 -3,-0.6 -2,-0.2 0.918 113.2 51.0 -85.7 -49.5 -8.4 -21.2 10.3 534 242 B I H >< S+ 0 0 41 -4,-2.5 3,-1.6 1,-0.3 4,-0.2 0.750 96.7 69.2 -65.7 -26.0 -5.1 -19.9 8.8 535 243 B L T 3< S+ 0 0 0 -4,-1.9 9,-0.5 1,-0.3 -1,-0.3 0.472 102.8 47.2 -73.5 1.7 -6.8 -17.7 6.3 536 244 B F T < + 0 0 87 -3,-1.7 -1,-0.3 7,-0.1 -2,-0.2 0.141 69.3 112.8-126.0 20.3 -8.0 -15.5 9.1 537 245 B C S < S+ 0 0 41 -3,-1.6 2,-0.3 2,-0.1 -2,-0.1 0.833 98.3 17.3 -62.5 -30.8 -4.7 -15.1 11.1 538 246 B E S S- 0 0 30 -4,-0.2 27,-0.1 -3,-0.1 -427,-0.0 -0.855 122.3 -63.0-126.2 164.8 -5.0 -11.5 10.0 539 247 B S S > S- 0 0 30 -2,-0.3 3,-2.6 -430,-0.3 -428,-0.1 -0.235 75.3 -79.7 -53.0 130.6 -8.2 -9.9 8.7 540 248 B N T 3 S+ 0 0 7 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 -0.444 115.1 31.3 -60.4 138.0 -9.5 -11.4 5.5 541 249 B P T 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 -0.877 103.8 79.3 -97.9 25.9 -8.6 -10.9 2.7 542 250 B I H <> S+ 0 0 3 -3,-2.6 4,-1.6 1,-0.2 23,-0.5 0.964 102.0 36.7 -57.9 -53.4 -5.0 -10.2 3.9 543 251 B P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.902 115.6 52.8 -68.4 -37.8 -4.0 -13.9 4.3 544 252 B V H > S+ 0 0 0 -9,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.895 107.9 51.5 -67.6 -35.9 -5.9 -15.2 1.3 545 253 B K H X S+ 0 0 11 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.900 111.5 47.4 -63.6 -40.9 -4.3 -12.7 -1.0 546 254 B W H X S+ 0 0 22 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.912 108.9 55.2 -64.6 -42.6 -0.8 -13.7 0.3 547 255 B A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.931 108.3 48.3 -54.7 -46.9 -1.8 -17.4 -0.2 548 256 B L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.8 0.842 109.2 52.9 -64.6 -33.9 -2.6 -16.7 -3.8 549 257 B H H ><5S+ 0 0 59 -4,-1.6 3,-1.4 4,-0.2 -1,-0.2 0.905 107.9 50.6 -65.8 -42.5 0.7 -14.8 -4.3 550 258 B E H 3<5S+ 0 0 52 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.787 106.9 55.6 -64.5 -27.2 2.6 -17.8 -2.9 551 259 B M T 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.475 117.1-119.1 -79.9 -4.2 0.6 -20.0 -5.4 552 260 B G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.619 84.3 113.3 77.3 15.3 2.0 -17.7 -8.1 553 261 B L S - 0 0 36 -2,-0.3 3,-2.2 4,-0.1 -217,-0.1 -0.687 40.2 -81.5 -94.4 131.3 -5.1 -1.3 -0.7 560 268 B L T 3 S+ 0 0 63 -2,-0.4 -478,-1.3 1,-0.4 -477,-0.5 -0.289 114.1 43.6 -55.1 141.3 -4.6 0.7 2.5 561 269 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 -450,-0.3 -0.987 114.9 68.4 -82.2 2.4 -5.8 0.5 5.2 562 270 B L S < S- 0 0 6 -3,-2.2 -4,-0.1 -452,-0.1 -453,-0.1 -0.486 71.9-160.3 -77.6 157.3 -5.2 -3.2 4.4 563 271 B T - 0 0 17 -2,-0.1 3,-0.1 -3,-0.1 -4,-0.1 -0.936 28.0 -86.8-136.7 152.3 -1.6 -4.4 4.3 564 272 B P S S- 0 0 60 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 -0.305 70.1 -76.3 -56.7 144.9 0.3 -7.4 2.9 565 273 B L - 0 0 0 -23,-0.5 5,-0.1 1,-0.1 -27,-0.0 -0.145 61.9 -94.9 -45.9 133.3 0.3 -10.3 5.3 566 274 B A >> - 0 0 23 -3,-0.1 3,-2.2 1,-0.1 4,-0.5 -0.205 34.2-115.3 -57.8 139.4 2.8 -9.6 8.1 567 275 B E H >> S+ 0 0 154 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.796 110.9 60.8 -45.8 -39.1 6.2 -11.2 7.4 568 276 B Q H 34 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.651 101.5 51.9 -67.8 -20.5 5.9 -13.6 10.4 569 277 B Y H <> S+ 0 0 80 -3,-2.2 4,-1.7 1,-0.1 -1,-0.3 0.531 90.1 81.4 -91.9 -9.0 2.8 -15.3 9.1 570 278 B R H S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.857 112.4 48.3 -53.8 -37.5 3.3 -20.7 8.6 573 281 B L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.905 109.2 51.9 -73.0 -40.9 1.0 -20.0 5.7 574 282 B R H X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.894 109.9 51.1 -58.6 -38.6 3.4 -21.6 3.2 575 283 B N H X S+ 0 0 68 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.868 108.9 49.4 -66.7 -40.9 3.5 -24.7 5.5 576 284 B A H X S+ 0 0 14 -4,-1.8 4,-1.8 2,-0.2 6,-0.2 0.863 111.7 49.3 -66.4 -38.6 -0.3 -24.9 5.7 577 285 B L H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 6,-0.9 0.896 113.1 47.1 -66.5 -40.5 -0.5 -24.7 1.9 578 286 B K H ><5S+ 0 0 112 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.945 109.4 53.7 -65.6 -45.3 2.1 -27.4 1.5 579 287 B D H 3<5S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 110.4 47.1 -55.2 -40.3 0.4 -29.6 4.1 580 288 B A T 3<5S- 0 0 37 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.367 115.1-114.1 -87.2 5.0 -2.9 -29.4 2.1 581 289 B G T < 5S+ 0 0 64 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.619 82.1 122.0 74.9 15.2 -1.2 -30.1 -1.2 582 290 B I < 0 0 43 -5,-2.2 -4,-0.2 -6,-0.2 -5,-0.1 0.897 360.0 360.0 -78.5 -41.0 -1.9 -26.7 -2.7 583 291 B I 0 0 97 -6,-0.9 -2,-0.2 -9,-0.2 -1,-0.1 -0.891 360.0 360.0-124.5 360.0 1.7 -25.9 -3.3