==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-NOV-11 3UQN . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR A.SINGH,S.KAUSHIK,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 74.2 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 . 58 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.7 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 2 2 2 1 5 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 0 163 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.8 10.5 -23.1 28.3 2 2 A I + 0 0 21 199,-0.0 2,-0.3 2,-0.0 36,-0.1 -0.520 360.0 171.9 -68.7 127.4 11.6 -22.7 24.7 3 3 A Q + 0 0 95 -2,-0.3 2,-0.3 34,-0.1 198,-0.2 -0.892 24.7 27.0-134.5 161.5 15.4 -22.2 24.8 4 4 A G E S+a 201 0A 4 196,-2.0 198,-2.2 -2,-0.3 2,-0.7 -0.661 100.2 0.4 97.0-149.6 18.4 -22.0 22.4 5 5 A S E -a 202 0A 0 30,-0.3 32,-1.6 -2,-0.3 33,-1.3 -0.776 59.9-175.2 -87.4 117.1 18.8 -21.0 18.8 6 6 A I E -ab 203 38A 0 196,-2.7 198,-1.1 -2,-0.7 33,-0.2 -0.892 16.5-144.4-117.0 98.4 15.4 -19.9 17.4 7 7 A V E -ab 204 39A 0 31,-1.7 33,-3.1 -2,-0.6 2,-1.4 -0.413 8.3-143.6 -71.2 132.2 15.6 -19.1 13.7 8 8 A A E - b 0 40A 5 196,-2.8 33,-0.1 31,-0.2 -1,-0.1 -0.716 37.2-144.5 -89.0 81.4 13.4 -16.3 12.3 9 9 A I - 0 0 0 -2,-1.4 34,-0.5 31,-0.9 33,-0.3 -0.139 1.6-130.7 -61.7 138.4 12.9 -18.3 9.1 10 10 A V - 0 0 0 36,-0.1 36,-0.3 195,-0.1 32,-0.1 -0.337 20.3-119.8 -76.7 166.3 12.7 -16.5 5.7 11 11 A T - 0 0 0 34,-0.5 10,-0.1 -2,-0.1 -1,-0.0 -0.913 30.0-136.3-110.4 102.1 9.8 -17.3 3.4 12 12 A P - 0 0 0 0, 0.0 8,-2.8 0, 0.0 2,-0.3 -0.297 27.0-168.4 -58.0 140.9 11.4 -18.7 0.2 13 13 A M B -I 19 0B 0 252,-0.4 252,-1.2 250,-0.3 250,-0.3 -0.963 21.4-117.7-136.8 152.5 9.8 -17.3 -3.0 14 14 A L > - 0 0 75 4,-3.5 3,-2.5 -2,-0.3 252,-0.1 -0.292 48.0 -92.9 -74.5 167.7 9.8 -18.0 -6.7 15 15 A K T 3 S+ 0 0 147 1,-0.3 251,-0.3 250,-0.1 -1,-0.1 0.867 128.7 52.4 -52.8 -38.0 11.1 -15.3 -9.0 16 16 A D T 3 S- 0 0 139 249,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.321 124.6-102.1 -84.3 11.9 7.6 -14.0 -9.4 17 17 A G S < S+ 0 0 10 -3,-2.5 -2,-0.1 1,-0.3 250,-0.1 0.333 74.9 140.4 89.8 -8.8 7.1 -13.7 -5.7 18 18 A G - 0 0 23 1,-0.1 -4,-3.5 -5,-0.1 -1,-0.3 -0.372 66.4 -91.6 -67.0 148.4 5.0 -16.8 -5.2 19 19 A V B -I 13 0B 10 -6,-0.2 2,-1.3 1,-0.1 -6,-0.3 -0.426 32.8-136.1 -63.3 130.1 5.8 -18.9 -2.1 20 20 A D > - 0 0 20 -8,-2.8 4,-1.8 1,-0.2 5,-0.2 -0.690 26.9-179.4 -89.5 84.4 8.4 -21.5 -2.9 21 21 A W H > S+ 0 0 79 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.866 75.2 48.0 -55.2 -48.0 6.9 -24.5 -1.1 22 22 A K H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 111.9 50.2 -63.0 -43.2 9.5 -27.1 -1.8 23 23 A S H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 108.7 52.8 -64.5 -33.4 12.4 -24.8 -0.9 24 24 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.921 107.7 52.0 -66.7 -42.8 10.7 -24.0 2.4 25 25 A E H X S+ 0 0 59 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.944 108.8 49.3 -57.6 -50.7 10.3 -27.7 3.2 26 26 A K H X S+ 0 0 106 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.885 110.0 52.5 -57.8 -40.4 14.0 -28.3 2.6 27 27 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.917 108.3 49.5 -61.6 -45.7 14.9 -25.4 4.9 28 28 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.937 113.5 46.4 -59.8 -46.4 12.8 -26.7 7.7 29 29 A E H X S+ 0 0 72 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.892 111.7 51.5 -62.0 -42.9 14.3 -30.1 7.5 30 30 A W H X S+ 0 0 51 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.914 108.0 52.4 -62.2 -44.3 17.9 -28.7 7.3 31 31 A H H X>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 4,-0.7 0.930 111.4 45.6 -59.7 -46.1 17.3 -26.6 10.4 32 32 A I H ><5S+ 0 0 31 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.929 114.4 48.1 -64.0 -43.8 16.2 -29.6 12.4 33 33 A E H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 111.0 53.2 -63.6 -34.2 19.0 -31.7 11.1 34 34 A Q H 3<5S- 0 0 56 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.508 121.8 -98.6 -82.6 -5.9 21.5 -28.9 11.9 35 35 A G T <<5 + 0 0 29 -3,-0.9 -30,-0.3 -4,-0.7 -3,-0.2 0.498 63.4 157.1 104.0 2.7 20.6 -28.4 15.6 36 36 A T < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.2 -30,-0.1 -0.446 30.8-153.5 -62.2 132.3 18.2 -25.4 15.4 37 37 A N - 0 0 64 -32,-1.6 2,-0.3 1,-0.2 -31,-0.2 0.732 64.5 -2.9 -84.8 -23.4 16.1 -25.5 18.5 38 38 A S E -b 6 0A 0 -33,-1.3 -31,-1.7 33,-0.2 2,-0.4 -0.982 59.8-135.1-162.3 159.3 12.9 -23.7 17.3 39 39 A I E -bc 7 73A 0 33,-1.5 35,-3.0 -2,-0.3 2,-0.6 -0.987 4.7-151.0-125.9 135.7 11.4 -21.9 14.3 40 40 A V E -bc 8 74A 2 -33,-3.1 -31,-0.9 -2,-0.4 3,-0.4 -0.901 23.6-150.7-102.4 117.3 9.5 -18.6 14.1 41 41 A A E - c 0 75A 0 33,-3.3 35,-3.3 -2,-0.6 19,-0.1 -0.729 66.9 -4.7 -93.4 136.0 7.2 -18.8 11.1 42 42 A V S S+ 0 0 1 -2,-0.4 -1,-0.2 -33,-0.3 2,-0.1 0.906 89.4 139.5 52.6 53.7 6.2 -15.7 9.3 43 43 A G S > >S- 0 0 11 -34,-0.5 5,-1.5 -3,-0.4 3,-0.6 -0.253 75.9 -66.0-103.0-162.5 7.8 -13.1 11.5 44 44 A T G > 5S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 5,-0.1 0.887 138.1 50.4 -57.5 -42.9 9.6 -10.1 10.2 45 45 A T G 3 5S+ 0 0 3 1,-0.3 -34,-0.5 2,-0.1 -1,-0.3 0.734 107.4 57.1 -67.9 -22.0 12.4 -12.1 8.5 46 46 A G G < 5S- 0 0 0 -3,-0.6 -1,-0.3 -36,-0.3 -2,-0.2 0.239 116.7-113.5 -93.8 13.4 9.6 -14.2 6.9 47 47 A E T X>5 + 0 0 6 -3,-1.5 3,-1.1 1,-0.1 4,-0.6 0.887 50.5 168.3 57.3 45.9 8.0 -11.1 5.2 48 48 A A G >4 - 0 0 37 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.237 29.8-101.2 -75.5 170.4 -1.7 -12.6 2.4 53 53 A M H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.913 124.9 47.5 -57.9 -46.1 -3.9 -13.9 5.2 54 54 A E H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 112.1 48.4 -62.9 -42.7 -4.2 -17.3 3.4 55 55 A E H > S+ 0 0 29 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.885 105.6 58.2 -65.2 -38.8 -0.4 -17.4 2.8 56 56 A H H X S+ 0 0 13 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.940 113.0 41.3 -54.9 -48.6 0.3 -16.6 6.4 57 57 A T H X S+ 0 0 37 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.908 112.5 52.7 -66.3 -45.0 -1.7 -19.7 7.3 58 58 A Q H X S+ 0 0 66 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.932 109.9 49.1 -57.2 -48.7 -0.4 -21.9 4.6 59 59 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.905 112.7 46.7 -60.9 -42.9 3.2 -21.2 5.6 60 60 A I H X S+ 0 0 1 -4,-1.7 4,-2.4 -5,-0.3 5,-0.2 0.953 113.6 49.4 -63.4 -46.6 2.5 -21.9 9.3 61 61 A K H X S+ 0 0 115 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.895 112.0 48.9 -58.8 -42.7 0.7 -25.1 8.4 62 62 A E H X S+ 0 0 48 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.891 110.5 48.3 -66.4 -41.9 3.6 -26.2 6.1 63 63 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.906 113.7 48.1 -66.5 -39.4 6.3 -25.6 8.7 64 64 A I H X S+ 0 0 21 -4,-2.4 4,-1.9 -5,-0.2 5,-0.5 0.935 111.9 50.3 -65.3 -45.1 4.3 -27.4 11.3 65 65 A R H < S+ 0 0 137 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.944 116.1 40.1 -58.1 -51.4 3.7 -30.3 9.0 66 66 A V H < S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.8 55.2 -69.0 -36.7 7.3 -30.7 8.0 67 67 A A H >< S- 0 0 1 -4,-2.6 3,-1.8 -5,-0.2 -1,-0.2 0.855 86.9-163.3 -63.8 -33.3 8.7 -30.1 11.5 68 68 A N T 3< - 0 0 116 -4,-1.9 -3,-0.1 1,-0.3 -4,-0.1 0.893 63.4 -58.7 49.2 51.9 6.5 -33.0 12.7 69 69 A K T 3 S+ 0 0 140 -5,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.513 107.1 121.1 60.3 9.6 6.7 -32.1 16.4 70 70 A R S < S+ 0 0 110 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.816 83.3 9.1 -71.4 -31.7 10.5 -32.4 16.4 71 71 A I S S- 0 0 21 -4,-0.1 -2,-0.2 -32,-0.0 -1,-0.2 -0.984 93.7 -92.4-144.1 150.2 11.0 -28.8 17.6 72 72 A P - 0 0 41 0, 0.0 -33,-1.5 0, 0.0 2,-0.5 -0.358 35.3-145.4 -67.2 147.2 8.6 -26.2 18.8 73 73 A I E -c 39 0A 3 23,-0.2 25,-2.4 -35,-0.2 26,-1.0 -0.962 7.1-159.1-116.1 126.8 7.2 -23.8 16.2 74 74 A I E -cd 40 99A 0 -35,-3.0 -33,-3.3 -2,-0.5 2,-0.5 -0.899 11.6-144.6-105.4 129.2 6.4 -20.2 17.0 75 75 A A E -cd 41 100A 0 24,-2.6 26,-2.6 -2,-0.5 2,-0.6 -0.812 11.4-131.0 -99.3 129.7 4.0 -18.3 14.8 76 76 A G E + d 0 101A 6 -35,-3.3 26,-0.2 -2,-0.5 -16,-0.1 -0.675 40.8 157.0 -75.0 119.7 4.4 -14.7 14.0 77 77 A T + 0 0 0 24,-2.4 12,-0.3 -2,-0.6 11,-0.2 0.121 17.6 136.0-133.8 21.6 1.0 -13.2 14.7 78 78 A G + 0 0 21 23,-0.7 2,-0.3 10,-0.1 26,-0.1 -0.336 19.5 164.3 -73.3 155.4 1.6 -9.5 15.4 79 79 A A - 0 0 0 24,-0.5 6,-0.1 -2,-0.1 -2,-0.0 -0.957 45.3-120.7-160.2 159.1 -0.5 -6.7 13.9 80 80 A N S S+ 0 0 9 -2,-0.3 2,-0.4 25,-0.2 3,-0.1 0.371 98.3 71.1 -92.8 10.1 -1.0 -3.0 14.7 81 81 A S S > S- 0 0 1 1,-0.1 4,-2.2 480,-0.1 5,-0.2 -0.991 75.6-145.6-122.4 127.5 -4.7 -3.6 15.3 82 82 A T H > S+ 0 0 5 478,-1.1 4,-2.1 -2,-0.4 5,-0.2 0.886 100.7 55.1 -60.0 -40.7 -5.6 -5.5 18.5 83 83 A R H > S+ 0 0 100 477,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.929 110.6 44.8 -57.6 -49.1 -8.6 -7.1 16.6 84 84 A E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 109.5 54.6 -66.6 -38.1 -6.4 -8.4 13.9 85 85 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.895 107.7 51.2 -63.5 -38.2 -3.7 -9.7 16.3 86 86 A I H X S+ 0 0 32 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.938 110.2 49.7 -63.7 -44.2 -6.3 -11.7 18.1 87 87 A E H X S+ 0 0 79 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.932 113.9 43.9 -57.7 -51.6 -7.5 -13.2 14.8 88 88 A L H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.885 113.0 51.5 -62.9 -41.5 -4.0 -14.2 13.7 89 89 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -12,-0.3 -1,-0.2 0.881 110.3 48.7 -65.9 -37.8 -3.1 -15.6 17.1 90 90 A K H X S+ 0 0 98 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.904 109.4 52.5 -67.0 -41.7 -6.2 -17.7 17.2 91 91 A A H X S+ 0 0 28 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.931 110.4 49.5 -57.9 -44.7 -5.5 -19.0 13.7 92 92 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.913 110.2 48.5 -61.7 -45.3 -2.0 -19.9 15.0 93 93 A K H ><5S+ 0 0 84 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.951 111.9 51.0 -60.1 -46.9 -3.4 -21.7 18.0 94 94 A D H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.779 105.8 54.6 -61.2 -29.8 -5.8 -23.6 15.8 95 95 A L H 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.547 123.4-103.3 -82.9 -7.1 -3.0 -24.6 13.4 96 96 A G T <<5 + 0 0 30 -3,-1.5 -23,-0.2 -4,-0.6 -3,-0.2 0.636 59.1 166.5 97.4 15.6 -1.1 -26.2 16.3 97 97 A A < - 0 0 7 -5,-2.4 -1,-0.2 -6,-0.2 -23,-0.2 -0.337 35.2-140.8 -62.4 146.0 1.6 -23.5 16.9 98 98 A D S S- 0 0 65 -25,-2.4 2,-0.3 1,-0.2 -24,-0.2 0.773 78.1 -14.0 -80.0 -26.4 3.4 -24.0 20.2 99 99 A A E -d 74 0A 2 -26,-1.0 -24,-2.6 29,-0.1 2,-0.4 -0.949 65.8-123.9-163.0 171.0 3.6 -20.2 20.8 100 100 A A E -de 75 130A 0 29,-2.2 31,-2.8 -2,-0.3 2,-0.5 -0.961 10.9-145.9-129.0 146.6 3.0 -16.9 19.0 101 101 A L E -de 76 131A 6 -26,-2.6 -24,-2.4 -2,-0.4 -23,-0.7 -0.959 17.0-169.8-113.5 124.4 5.4 -14.0 18.6 102 102 A L E - e 0 132A 0 29,-2.9 31,-1.1 -2,-0.5 -26,-0.1 -0.899 11.0-150.5-124.3 108.5 3.8 -10.5 18.6 103 103 A V E - e 0 133A 10 -2,-0.5 -24,-0.5 29,-0.2 31,-0.2 -0.345 40.0 -94.2 -66.1 150.5 5.7 -7.4 17.6 104 104 A T - 0 0 0 29,-2.0 -1,-0.1 1,-0.1 37,-0.1 -0.348 58.1 -81.2 -63.0 146.9 4.4 -4.3 19.3 105 105 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -25,-0.2 -0.290 57.9-146.3 -51.0 133.9 1.8 -2.4 17.1 106 106 A Y + 0 0 28 -3,-0.1 2,-2.3 2,-0.1 34,-0.2 -0.640 61.6 9.4-106.2 161.8 3.8 -0.4 14.6 107 107 A Y S S+ 0 0 11 32,-2.2 -1,-0.1 323,-0.7 325,-0.1 -0.101 112.8 70.9 66.2 -40.6 3.3 3.0 12.9 108 108 A N S S- 0 0 9 -2,-2.3 -1,-0.2 323,-0.0 -2,-0.1 0.463 88.6-144.8 -87.1 3.0 0.3 4.0 15.1 109 109 A K - 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0 0 3 -5,-2.7 -1,-0.3 -8,-0.1 -15,-0.2 -0.375 47.0-135.4 -64.5 146.5 4.1 24.6 0.1 492 200 B D - 0 0 35 -17,-2.5 -196,-2.0 1,-0.1 2,-0.3 0.542 69.3 -43.5 -81.2 -7.3 0.7 24.1 -1.5 493 201 B G E -jq 296 476C 0 -18,-0.6 -16,-2.4 -198,-0.2 2,-0.4 -0.989 57.8 -86.7 168.2-172.3 -1.1 23.5 1.8 494 202 B N E -jq 297 477C 0 -198,-2.0 -196,-2.5 -2,-0.3 2,-1.5 -0.978 15.4-154.3-134.1 115.7 -1.2 21.8 5.2 495 203 B I E -j 298 0C 3 -18,-2.4 -196,-0.2 -2,-0.4 2,-0.2 -0.756 46.5-171.2 -88.1 92.0 -2.6 18.3 5.7 496 204 B S E -j 299 0C 0 -2,-1.5 -196,-3.1 -198,-1.3 -18,-0.0 -0.469 49.3-166.4-102.4 160.2 -3.3 19.2 9.2 497 205 B V S > S+ 0 0 13 -198,-0.2 3,-2.4 -2,-0.2 4,-0.3 0.738 96.7 59.1 -99.8 -47.8 -4.5 17.6 12.5 498 206 B T G >> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-1.9 0.830 90.7 71.6 -54.9 -32.6 -5.2 21.0 14.2 499 207 B A G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -200,-0.1 0.723 83.0 73.6 -57.4 -20.1 -7.7 21.7 11.4 500 208 B N G <4 S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.830 113.5 20.4 -61.9 -34.4 -9.9 19.0 13.0 501 209 B I T <4 S+ 0 0 3 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.596 135.6 35.7-111.8 -17.5 -10.8 21.4 15.9 502 210 B A X + 0 0 9 -4,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.461 66.7 152.2-133.1 60.7 -10.0 24.8 14.4 503 211 B P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.906 74.3 46.9 -59.5 -44.4 -11.0 24.4 10.7 504 212 B K H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.950 114.3 47.8 -64.4 -46.8 -11.9 28.1 10.1 505 213 B A H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 113.1 46.8 -61.1 -43.9 -8.7 29.3 11.7 506 214 B M H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.868 107.9 56.4 -68.7 -33.8 -6.4 26.9 9.9 507 215 B S H X S+ 0 0 17 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.871 109.8 47.2 -64.4 -33.2 -8.1 27.7 6.5 508 216 B E H X S+ 0 0 85 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.908 110.0 51.5 -72.3 -43.0 -7.2 31.4 7.2 509 217 B V H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.913 113.2 45.6 -60.1 -44.2 -3.6 30.5 8.1 510 218 B C H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.911 111.3 53.1 -66.4 -42.4 -3.2 28.6 4.9 511 219 B A H X S+ 0 0 57 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.956 114.4 39.6 -59.0 -52.2 -4.9 31.3 2.8 512 220 B V H <>S+ 0 0 20 -4,-2.6 5,-2.7 1,-0.2 9,-0.2 0.841 116.5 50.7 -69.1 -32.0 -2.6 34.1 4.1 513 221 B A H ><5S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.3 -1,-0.2 0.907 110.4 48.6 -71.9 -40.0 0.5 31.9 4.0 514 222 B I H 3<5S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.887 108.4 55.4 -65.3 -34.2 -0.2 30.7 0.4 515 223 B A T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.519 116.6-121.2 -73.8 -6.0 -0.7 34.4 -0.4 516 224 B K T < 5 + 0 0 103 -3,-1.3 2,-1.1 1,-0.2 -3,-0.2 0.813 60.5 149.9 69.0 34.1 2.8 35.0 1.1 517 225 B D >< - 0 0 60 -5,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.787 22.9-175.6 -98.2 89.8 1.6 37.4 3.7 518 226 B E H > S+ 0 0 110 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.867 76.2 47.0 -57.3 -45.1 4.3 36.7 6.4 519 227 B Q H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 113.4 47.9 -69.0 -38.8 3.0 38.9 9.2 520 228 B Q H > S+ 0 0 99 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.903 112.0 50.8 -66.8 -38.4 -0.6 37.8 8.8 521 229 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 -9,-0.2 5,-0.2 0.908 112.7 46.1 -65.1 -41.3 0.5 34.1 8.8 522 230 B K H X S+ 0 0 79 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.949 115.1 46.5 -65.0 -48.8 2.6 34.7 12.0 523 231 B T H X S+ 0 0 66 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.936 116.6 42.3 -60.0 -50.9 -0.2 36.5 13.8 524 232 B L H X S+ 0 0 34 -4,-2.7 4,-0.6 1,-0.2 3,-0.3 0.871 115.6 49.1 -67.1 -37.5 -3.0 34.1 12.9 525 233 B N H >X S+ 0 0 11 -4,-2.1 3,-1.2 -5,-0.3 4,-0.9 0.888 102.0 64.0 -69.1 -36.0 -0.8 31.0 13.5 526 234 B N H 3< S+ 0 0 125 -4,-2.4 3,-0.5 1,-0.3 4,-0.4 0.835 95.3 60.1 -56.5 -32.9 0.2 32.4 16.9 527 235 B K H 3< S+ 0 0 138 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.793 117.7 28.4 -67.5 -29.1 -3.4 32.2 18.2 528 236 B I H XX S+ 0 0 8 -3,-1.2 4,-1.2 -4,-0.6 3,-0.8 0.278 89.0 107.7-114.1 10.4 -3.6 28.5 17.7 529 237 B A H 3X S+ 0 0 23 -4,-0.9 4,-0.7 -3,-0.5 3,-0.4 0.865 76.8 54.6 -55.8 -41.7 0.1 27.7 18.2 530 238 B N H 3> S+ 0 0 118 -4,-0.4 4,-2.4 1,-0.2 3,-0.5 0.809 102.3 58.8 -64.7 -28.2 -0.4 26.1 21.6 531 239 B L H <> S+ 0 0 2 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.863 97.2 60.6 -68.2 -34.1 -3.0 23.8 20.0 532 240 B H H < S+ 0 0 5 -4,-1.2 -51,-0.3 -3,-0.4 -1,-0.2 0.771 113.2 37.9 -63.0 -27.2 -0.3 22.4 17.6 533 241 B N H >< S+ 0 0 88 -4,-0.7 3,-1.5 -3,-0.5 -2,-0.2 0.890 113.6 51.2 -89.4 -47.0 1.7 21.2 20.6 534 242 B I H >< S+ 0 0 36 -4,-2.4 3,-1.7 1,-0.3 4,-0.2 0.766 96.1 69.5 -63.8 -30.6 -1.0 20.0 22.9 535 243 B L T 3< S+ 0 0 0 -4,-1.9 9,-0.5 1,-0.3 -1,-0.3 0.412 102.9 47.4 -70.1 3.2 -2.7 17.8 20.2 536 244 B F T < + 0 0 91 -3,-1.5 -1,-0.3 7,-0.1 -2,-0.2 0.086 68.3 115.6-128.8 21.6 0.4 15.6 20.4 537 245 B C S < S+ 0 0 42 -3,-1.7 2,-0.3 2,-0.1 -2,-0.1 0.837 97.1 15.4 -60.1 -29.7 0.7 15.2 24.2 538 246 B E S S- 0 0 29 -4,-0.2 27,-0.1 -3,-0.1 -427,-0.0 -0.880 122.4 -59.7-133.0 161.5 -0.0 11.5 23.5 539 247 B S S > S- 0 0 26 -2,-0.3 3,-2.6 -430,-0.3 -428,-0.1 -0.167 76.1 -81.0 -51.1 127.3 0.2 10.0 20.0 540 248 B N T 3 S+ 0 0 7 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 -0.411 113.9 31.7 -60.7 143.0 -2.1 11.5 17.4 541 249 B P T 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 -0.883 103.7 78.4 -91.6 23.5 -5.1 11.0 17.1 542 250 B I H <> S+ 0 0 1 -3,-2.6 4,-1.6 1,-0.2 23,-0.5 0.953 101.4 37.7 -56.9 -52.2 -5.6 10.3 20.8 543 251 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.903 115.3 51.7 -67.5 -41.9 -5.6 14.0 21.9 544 252 B V H > S+ 0 0 0 -9,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.858 108.3 52.3 -66.1 -32.7 -7.5 15.4 18.9 545 253 B K H X S+ 0 0 9 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.913 111.6 46.3 -69.1 -38.0 -10.3 12.8 19.3 546 254 B W H X S+ 0 0 26 -4,-1.6 4,-2.7 -5,-0.3 -2,-0.2 0.898 109.8 55.2 -68.6 -36.5 -10.6 13.8 22.9 547 255 B A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.936 108.2 47.6 -59.8 -46.9 -10.6 17.5 21.9 548 256 B L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.9 0.809 110.6 53.1 -64.8 -29.4 -13.5 16.9 19.5 549 257 B H H ><5S+ 0 0 58 -4,-1.5 3,-1.9 4,-0.2 -2,-0.2 0.919 106.5 50.9 -71.5 -42.8 -15.4 15.0 22.3 550 258 B E H 3<5S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.867 107.8 54.9 -61.1 -32.6 -14.9 17.9 24.7 551 259 B M T 3<5S- 0 0 38 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.470 116.6-120.0 -77.5 -2.6 -16.4 20.1 21.9 552 260 B G T < 5S+ 0 0 63 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.663 83.1 113.8 73.1 18.4 -19.4 17.8 21.8 553 261 B L S - 0 0 38 -2,-0.3 3,-2.3 -250,-0.1 -217,-0.1 -0.652 40.2 -79.4 -92.0 133.7 -9.7 1.4 18.7 560 268 B L T 3 S+ 0 0 61 1,-0.4 -478,-1.1 -2,-0.4 -477,-0.4 -0.265 114.6 42.9 -55.1 147.5 -7.0 -0.6 20.6 561 269 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 -450,-0.3 -0.994 114.8 67.9 -69.8 -3.3 -4.1 -0.4 20.6 562 270 B L S < S- 0 0 6 -3,-2.3 -4,-0.1 -452,-0.1 -453,-0.1 -0.496 72.1-160.8 -76.7 154.5 -5.0 3.3 20.8 563 271 B T - 0 0 19 -2,-0.1 3,-0.1 -3,-0.1 -4,-0.1 -0.902 28.4 -86.1-132.8 158.0 -6.7 4.5 24.0 564 272 B P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 -0.353 69.9 -75.8 -61.8 148.1 -8.7 7.5 25.1 565 273 B L - 0 0 1 -23,-0.5 5,-0.1 1,-0.1 -27,-0.0 -0.133 62.4 -96.4 -44.8 132.4 -6.6 10.4 26.2 566 274 B A > - 0 0 22 -3,-0.1 3,-2.5 1,-0.1 4,-0.5 -0.275 32.9-115.7 -56.7 140.5 -5.1 9.7 29.6 567 275 B E G > S+ 0 0 154 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.807 110.5 61.7 -51.2 -42.9 -7.2 11.3 32.4 568 276 B Q G 3 S+ 0 0 132 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.698 102.1 52.7 -59.4 -21.2 -4.4 13.6 33.5 569 277 B Y G <> S+ 0 0 81 -3,-2.5 4,-1.9 1,-0.1 -1,-0.3 0.516 88.6 81.3 -92.8 -6.8 -4.2 15.4 30.1 570 278 B R H <> S+ 0 0 56 -3,-1.6 4,-2.3 -4,-0.5 -2,-0.1 0.893 92.0 44.0 -69.8 -41.5 -7.9 16.2 29.9 571 279 B E H > S+ 0 0 83 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.927 114.2 51.3 -69.4 -43.9 -8.0 19.4 32.1 572 280 B P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.916 113.0 46.3 -57.4 -41.4 -4.9 20.7 30.4 573 281 B L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.896 109.6 52.7 -68.4 -40.9 -6.4 20.1 27.0 574 282 B R H X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.919 109.2 50.8 -60.3 -42.1 -9.7 21.7 28.0 575 283 B N H X S+ 0 0 67 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.876 108.2 51.8 -62.7 -38.7 -7.8 24.8 29.2 576 284 B A H X S+ 0 0 15 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.882 110.3 49.0 -65.8 -38.4 -6.0 25.0 25.8 577 285 B L H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 6,-0.8 0.897 113.0 47.1 -67.5 -41.0 -9.3 24.8 24.0 578 286 B K H ><5S+ 0 0 109 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.942 109.3 53.5 -65.9 -46.9 -10.7 27.5 26.2 579 287 B D H 3<5S+ 0 0 139 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.863 110.7 48.4 -54.5 -37.5 -7.6 29.7 25.8 580 288 B A T 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.442 114.4-115.2 -85.3 -1.4 -8.0 29.4 22.0 581 289 B G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.596 81.5 120.2 79.5 11.6 -11.7 30.3 22.0 582 290 B I < 0 0 41 -5,-2.1 -4,-0.2 -6,-0.2 -5,-0.1 0.847 360.0 360.0 -78.3 -34.7 -12.9 26.9 20.7 583 291 B I 0 0 83 -6,-0.8 -2,-0.2 -9,-0.2 -1,-0.2 -0.962 360.0 360.0-132.5 360.0 -15.1 26.1 23.8