==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-AUG-11 3TAK . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR A.SINGH,S.KAUSHIK,M.SINHA,R.TEWARI,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) . 21384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 74.7 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 . 34 5.8 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 . 223 38.3 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 1 2 0 5 2 2 2 0 6 2 0 1 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 0 162 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.2 10.2 -23.0 28.2 2 2 A I + 0 0 22 2,-0.0 2,-0.3 199,-0.0 36,-0.1 -0.559 360.0 176.8 -72.7 125.8 11.6 -22.8 24.5 3 3 A Q + 0 0 100 -2,-0.3 2,-0.3 34,-0.1 198,-0.3 -0.929 26.7 25.4-128.1 157.3 15.3 -22.3 24.7 4 4 A G E S-a 201 0A 4 196,-2.0 198,-2.2 -2,-0.3 2,-0.7 -0.747 100.8 -0.1 105.6-146.5 18.3 -22.0 22.4 5 5 A S E -a 202 0A 0 -2,-0.3 32,-2.0 30,-0.3 33,-1.2 -0.814 59.4-176.5 -89.5 114.9 18.6 -20.9 18.7 6 6 A I E -ab 203 38A 0 196,-2.9 198,-1.7 -2,-0.7 2,-0.3 -0.924 18.4-143.1-114.9 104.7 15.2 -20.0 17.4 7 7 A V E -ab 204 39A 0 31,-1.9 33,-3.3 -2,-0.7 2,-1.5 -0.488 8.2-145.4 -77.1 131.9 15.5 -19.2 13.7 8 8 A A E - b 0 40A 2 196,-2.6 33,-0.1 -2,-0.3 200,-0.1 -0.769 38.7-147.8 -89.0 87.6 13.3 -16.4 12.3 9 9 A I - 0 0 1 -2,-1.5 34,-0.4 31,-1.2 33,-0.3 -0.333 2.4-124.5 -71.3 142.0 13.1 -18.3 9.1 10 10 A V - 0 0 0 195,-0.1 36,-0.3 36,-0.1 -1,-0.1 -0.260 20.0-121.1 -71.0 163.1 12.7 -16.6 5.7 11 11 A T - 0 0 0 34,-0.5 -1,-0.1 30,-0.1 10,-0.1 -0.903 31.8-137.0-105.1 102.9 9.8 -17.4 3.5 12 12 A P - 0 0 0 0, 0.0 8,-2.9 0, 0.0 2,-0.3 -0.270 26.3-166.9 -63.7 142.0 11.5 -18.7 0.3 13 13 A M B -I 19 0B 0 252,-0.4 252,-1.2 250,-0.4 250,-0.3 -0.964 21.1-119.4-133.0 151.6 10.0 -17.3 -2.9 14 14 A L > - 0 0 74 4,-3.3 3,-2.7 -2,-0.3 252,-0.1 -0.323 48.3 -93.2 -75.0 167.4 10.0 -18.0 -6.6 15 15 A K T 3 S+ 0 0 142 1,-0.3 251,-0.3 250,-0.2 -1,-0.1 0.820 127.9 55.0 -53.8 -33.3 11.2 -15.2 -8.9 16 16 A D T 3 S- 0 0 140 249,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.350 123.5-104.0 -83.0 6.2 7.6 -14.0 -9.4 17 17 A G S < S+ 0 0 10 -3,-2.7 -2,-0.1 1,-0.3 250,-0.1 0.289 75.2 139.8 91.8 -11.5 7.2 -13.7 -5.6 18 18 A G - 0 0 23 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.346 65.7 -93.0 -64.8 149.5 5.1 -16.9 -5.2 19 19 A V B -I 13 0B 10 -6,-0.2 2,-1.1 1,-0.1 -6,-0.3 -0.421 30.7-135.9 -65.7 136.6 6.0 -18.9 -2.1 20 20 A D > - 0 0 22 -8,-2.9 4,-2.1 1,-0.2 5,-0.2 -0.773 25.9-179.5 -94.7 89.5 8.6 -21.6 -2.8 21 21 A W H > S+ 0 0 76 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.837 76.7 50.0 -59.1 -47.3 7.0 -24.6 -0.9 22 22 A K H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 111.4 47.5 -64.2 -41.0 9.6 -27.1 -1.8 23 23 A S H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.876 109.8 54.3 -69.1 -35.1 12.5 -24.9 -0.7 24 24 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.952 108.3 49.8 -61.1 -48.6 10.7 -24.0 2.5 25 25 A E H X S+ 0 0 59 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.912 109.7 50.2 -52.7 -49.1 10.4 -27.7 3.3 26 26 A K H X S+ 0 0 109 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 110.2 50.5 -60.9 -37.6 14.0 -28.3 2.7 27 27 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.916 108.3 51.5 -64.8 -42.3 15.0 -25.5 4.9 28 28 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.921 113.2 45.7 -61.3 -45.3 12.8 -26.7 7.8 29 29 A E H X S+ 0 0 71 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.933 111.4 51.9 -61.6 -47.3 14.4 -30.2 7.5 30 30 A W H X S+ 0 0 53 -4,-2.5 4,-2.7 1,-0.2 6,-0.2 0.907 108.4 51.8 -57.3 -44.3 17.9 -28.7 7.3 31 31 A H H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.9 0.932 110.5 47.4 -61.6 -44.4 17.3 -26.7 10.4 32 32 A I H ><5S+ 0 0 31 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.899 115.1 46.8 -60.8 -45.7 16.2 -29.7 12.4 33 33 A E H 3<5S+ 0 0 123 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.861 111.5 51.1 -64.0 -36.8 19.1 -31.7 11.2 34 34 A Q H 3<5S- 0 0 44 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.572 122.4 -97.9 -84.2 -4.7 21.6 -28.9 11.9 35 35 A G T <<5 + 0 0 26 -4,-0.9 -30,-0.3 -3,-0.5 -3,-0.2 0.484 62.4 158.1 103.2 4.2 20.5 -28.4 15.5 36 36 A T < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.2 -30,-0.1 -0.356 30.6-151.8 -59.0 136.8 18.1 -25.4 15.4 37 37 A N - 0 0 61 -32,-2.0 2,-0.3 1,-0.2 -31,-0.2 0.731 65.3 -5.9 -89.1 -22.6 15.9 -25.5 18.5 38 38 A S E -b 6 0A 0 -33,-1.2 -31,-1.9 33,-0.2 2,-0.4 -0.973 61.2-132.8-163.8 160.0 12.8 -23.8 17.3 39 39 A I E -bc 7 73A 0 33,-1.5 35,-3.1 -2,-0.3 2,-0.7 -0.993 5.7-149.1-123.6 135.7 11.4 -22.0 14.2 40 40 A V E -bc 8 74A 0 -33,-3.3 -31,-1.2 -2,-0.4 3,-0.5 -0.914 22.8-152.8 -96.3 118.3 9.5 -18.7 14.1 41 41 A A E + c 0 75A 0 33,-2.9 35,-3.3 -2,-0.7 19,-0.1 -0.754 69.3 0.2 -92.2 136.0 7.2 -18.9 11.1 42 42 A V S S+ 0 0 1 -2,-0.4 -1,-0.2 -33,-0.3 2,-0.1 0.892 88.7 144.2 58.6 43.8 6.2 -15.7 9.3 43 43 A G S >S- 0 0 7 -3,-0.5 5,-1.7 -34,-0.4 3,-0.4 -0.131 73.6 -73.0 -88.5-162.0 8.0 -13.3 11.6 44 44 A T T > 5S+ 0 0 11 1,-0.2 3,-1.7 2,-0.2 5,-0.2 0.904 137.8 52.1 -58.8 -44.6 9.7 -10.1 10.2 45 45 A T T 3 5S+ 0 0 2 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.772 105.2 57.4 -68.8 -21.1 12.4 -12.1 8.6 46 46 A G T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 -36,-0.3 -2,-0.2 0.223 116.4-113.2 -92.2 13.7 9.7 -14.2 6.9 47 47 A E T X>5 + 0 0 5 -3,-1.7 3,-1.5 1,-0.1 4,-0.6 0.869 51.0 168.3 57.4 43.6 8.1 -11.2 5.3 48 48 A A G >4 - 0 0 36 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.181 29.5-102.8 -75.5 167.7 -1.7 -12.7 2.5 53 53 A M H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.931 124.7 50.5 -60.1 -40.5 -3.7 -14.1 5.3 54 54 A E H > S+ 0 0 137 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.906 112.1 46.8 -60.9 -44.3 -4.1 -17.4 3.4 55 55 A E H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.886 107.6 56.2 -67.8 -32.5 -0.3 -17.5 2.8 56 56 A H H X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.955 113.0 42.4 -61.4 -46.6 0.4 -16.7 6.5 57 57 A T H X S+ 0 0 34 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.906 114.1 51.0 -65.8 -46.0 -1.8 -19.8 7.4 58 58 A Q H X S+ 0 0 66 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.902 110.0 48.9 -61.5 -44.3 -0.3 -22.0 4.7 59 59 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.945 114.0 45.6 -63.1 -43.4 3.3 -21.2 5.7 60 60 A I H X S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.949 114.8 49.0 -63.0 -47.2 2.6 -21.9 9.4 61 61 A K H X S+ 0 0 112 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.884 112.8 47.4 -59.3 -44.4 0.7 -25.1 8.4 62 62 A E H X S+ 0 0 44 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.904 111.5 48.0 -66.5 -41.1 3.6 -26.2 6.2 63 63 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.937 114.2 48.3 -66.8 -39.7 6.4 -25.6 8.7 64 64 A I H X S+ 0 0 18 -4,-2.6 4,-1.6 -5,-0.3 5,-0.5 0.923 112.0 50.4 -63.3 -43.1 4.3 -27.4 11.4 65 65 A R H < S+ 0 0 137 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.942 115.0 41.2 -60.7 -51.8 3.7 -30.3 8.9 66 66 A V H < S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 111.7 54.5 -66.1 -39.3 7.4 -30.8 8.0 67 67 A A H >< S- 0 0 1 -4,-2.7 3,-2.1 -5,-0.2 -1,-0.2 0.833 85.4-163.2 -67.4 -25.7 8.7 -30.3 11.5 68 68 A N T 3< - 0 0 118 -4,-1.6 -3,-0.1 1,-0.3 -4,-0.1 0.866 65.8 -58.0 45.8 46.5 6.4 -33.1 12.7 69 69 A K T 3 S+ 0 0 138 -5,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.529 106.4 122.6 66.6 11.0 6.7 -32.1 16.4 70 70 A R S < S+ 0 0 111 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.800 83.9 8.9 -71.3 -33.2 10.5 -32.5 16.4 71 71 A I S S- 0 0 21 -4,-0.1 -2,-0.2 -32,-0.0 -33,-0.2 -0.969 93.6 -93.5-141.3 154.7 11.0 -28.9 17.6 72 72 A P - 0 0 39 0, 0.0 -33,-1.5 0, 0.0 2,-0.5 -0.479 34.1-143.3 -74.1 146.4 8.4 -26.3 18.7 73 73 A I E -c 39 0A 4 23,-0.2 25,-2.6 -35,-0.2 26,-1.0 -0.959 8.6-160.5-112.6 126.8 7.1 -23.9 16.1 74 74 A I E -cd 40 99A 0 -35,-3.1 -33,-2.9 -2,-0.5 2,-0.5 -0.916 12.1-145.5-106.2 126.0 6.3 -20.3 17.0 75 75 A A E -cd 41 100A 0 24,-2.7 26,-2.6 -2,-0.5 2,-0.5 -0.808 10.8-131.2 -96.7 130.0 4.0 -18.4 14.7 76 76 A G E + d 0 101A 6 -35,-3.3 26,-0.2 -2,-0.5 -16,-0.1 -0.625 40.2 157.5 -72.5 123.8 4.4 -14.7 14.0 77 77 A T + 0 0 0 24,-2.6 12,-0.3 -2,-0.5 11,-0.2 0.178 17.2 139.4-135.7 16.4 0.9 -13.2 14.6 78 78 A G + 0 0 19 23,-0.8 2,-0.3 10,-0.1 26,-0.1 -0.289 18.7 165.0 -66.5 150.7 1.6 -9.6 15.3 79 79 A A - 0 0 0 24,-0.5 6,-0.1 -2,-0.0 -2,-0.0 -0.965 44.3-124.5-155.7 160.7 -0.6 -6.8 13.9 80 80 A N S S+ 0 0 10 -2,-0.3 2,-0.4 25,-0.2 3,-0.1 0.400 97.8 71.0 -94.9 7.0 -1.1 -3.1 14.6 81 81 A S S > S- 0 0 2 1,-0.1 4,-2.3 480,-0.1 5,-0.2 -0.979 75.8-146.9-116.5 130.7 -4.8 -3.7 15.1 82 82 A T H > S+ 0 0 6 478,-1.4 4,-2.4 -2,-0.4 5,-0.2 0.915 100.5 53.4 -66.0 -37.4 -5.8 -5.6 18.3 83 83 A R H > S+ 0 0 103 477,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.913 111.1 45.3 -62.9 -45.3 -8.7 -7.3 16.5 84 84 A E H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 110.0 54.2 -68.6 -35.5 -6.5 -8.5 13.7 85 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.890 107.9 51.7 -63.1 -39.6 -3.8 -9.8 16.2 86 86 A I H X S+ 0 0 30 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.931 111.4 46.9 -61.2 -46.2 -6.5 -11.8 18.0 87 87 A E H X S+ 0 0 84 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.928 113.2 46.8 -63.5 -45.9 -7.6 -13.4 14.7 88 88 A L H X S+ 0 0 11 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.902 113.8 49.1 -65.2 -37.2 -4.1 -14.2 13.6 89 89 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 -12,-0.3 -2,-0.2 0.902 109.7 51.0 -71.4 -37.4 -3.2 -15.6 17.0 90 90 A K H X S+ 0 0 98 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.916 109.3 52.1 -61.7 -45.6 -6.4 -17.8 17.1 91 91 A A H X S+ 0 0 28 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 108.9 49.5 -57.6 -43.3 -5.6 -19.1 13.7 92 92 A A H X>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 4,-0.6 0.928 110.1 50.3 -63.3 -39.8 -2.1 -20.0 14.8 93 93 A K H ><5S+ 0 0 87 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.943 110.6 50.9 -61.8 -44.9 -3.5 -21.8 17.9 94 94 A D H 3<5S+ 0 0 132 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 106.1 54.6 -63.3 -31.8 -5.9 -23.7 15.7 95 95 A L H 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.573 122.1-106.9 -78.3 -6.8 -3.1 -24.8 13.4 96 96 A G T <<5 + 0 0 30 -3,-1.4 -23,-0.2 -4,-0.6 -3,-0.2 0.635 57.4 165.6 91.4 20.4 -1.2 -26.2 16.3 97 97 A A < - 0 0 8 -5,-2.3 -1,-0.2 1,-0.1 -23,-0.2 -0.346 37.5-136.5 -63.0 150.5 1.6 -23.7 16.8 98 98 A D S S- 0 0 64 -25,-2.6 2,-0.3 1,-0.2 -24,-0.2 0.734 78.6 -14.8 -80.8 -26.0 3.4 -24.0 20.1 99 99 A A E -d 74 0A 2 -26,-1.0 -24,-2.7 29,-0.1 2,-0.4 -0.956 64.9-121.3-163.4 171.8 3.4 -20.3 20.7 100 100 A A E -de 75 130A 0 29,-2.2 31,-2.9 -2,-0.3 2,-0.5 -0.968 11.5-146.9-127.6 146.7 2.9 -17.0 19.0 101 101 A L E -de 76 131A 3 -26,-2.6 -24,-2.6 -2,-0.4 -23,-0.8 -0.954 17.6-170.2-114.6 122.4 5.3 -14.1 18.5 102 102 A L E - e 0 132A 0 29,-2.9 31,-1.2 -2,-0.5 -26,-0.1 -0.889 10.7-150.6-123.8 106.1 3.7 -10.7 18.5 103 103 A V E - e 0 133A 9 -2,-0.6 -24,-0.5 29,-0.2 31,-0.2 -0.325 39.0 -93.2 -65.0 148.3 5.5 -7.5 17.6 104 104 A T - 0 0 0 29,-2.3 -1,-0.1 1,-0.1 37,-0.1 -0.420 57.8 -81.7 -58.1 146.8 4.3 -4.4 19.2 105 105 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 4,-0.2 -0.193 56.6-147.6 -50.3 132.4 1.7 -2.5 17.0 106 106 A Y + 0 0 25 -3,-0.1 2,-2.2 2,-0.1 34,-0.2 -0.667 62.2 9.9-105.5 158.4 3.7 -0.5 14.5 107 107 A Y S S+ 0 0 9 32,-2.0 -1,-0.1 323,-0.7 325,-0.1 -0.222 112.4 70.3 73.7 -47.1 3.1 2.8 12.8 108 108 A N S S- 0 0 8 -2,-2.2 -1,-0.2 -28,-0.0 -2,-0.1 0.530 88.3-144.6 -84.8 -4.1 0.0 3.8 15.0 109 109 A K - 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0 0 38 -25,-0.3 4,-1.4 1,-0.1 3,-0.9 -0.898 60.9-164.3-134.8 99.8 3.4 19.2 10.6 480 188 B D H 3> S+ 0 0 4 -2,-0.4 4,-0.6 1,-0.2 3,-0.4 0.865 86.7 62.7 -53.3 -39.6 0.9 21.7 12.0 481 189 B E H 34 S+ 0 0 105 51,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.879 120.8 22.1 -55.7 -39.0 3.5 23.5 14.1 482 190 B T H X> S+ 0 0 17 -3,-0.9 4,-2.2 1,-0.1 3,-0.7 0.410 92.6 103.4-109.1 1.6 5.6 24.5 11.1 483 191 B A H 3X S+ 0 0 1 -4,-1.4 4,-2.6 -3,-0.4 5,-0.3 0.871 78.0 57.7 -54.3 -45.3 2.9 24.4 8.3 484 192 B W H 3X S+ 0 0 36 -4,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.880 109.2 46.3 -53.9 -40.1 2.5 28.2 8.2 485 193 B E H <> S+ 0 0 67 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.935 111.0 50.2 -67.2 -51.0 6.2 28.5 7.5 486 194 B L H <>S+ 0 0 6 -4,-2.2 5,-2.7 1,-0.2 -2,-0.2 0.880 110.5 51.2 -56.2 -39.8 6.4 25.8 4.8 487 195 B M H ><5S+ 0 0 0 -4,-2.6 3,-1.6 3,-0.2 -1,-0.2 0.895 107.3 52.0 -65.6 -38.0 3.4 27.4 3.0 488 196 B L H 3<5S+ 0 0 31 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.3 53.2 -66.5 -25.1 5.1 30.8 3.1 489 197 B L T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.354 137.7 -78.3 -90.0 4.0 8.1 29.0 1.5 490 198 B G T < 5S+ 0 0 31 -3,-1.6 -15,-0.3 1,-0.3 -3,-0.2 0.431 78.0 145.5 120.0 -3.8 6.0 27.5 -1.3 491 199 B A < - 0 0 3 -5,-2.7 -1,-0.3 -6,-0.1 -15,-0.2 -0.379 47.1-135.5 -65.2 148.8 4.1 24.5 0.0 492 200 B D - 0 0 36 -17,-2.6 -196,-2.1 1,-0.1 2,-0.3 0.569 68.1 -42.9 -83.4 -7.1 0.6 24.0 -1.5 493 201 B G E -jq 296 476C 0 -18,-0.7 -16,-2.7 -198,-0.2 2,-0.4 -0.992 57.2 -87.4 167.9-173.6 -1.2 23.4 1.7 494 202 B N E -jq 297 477C 0 -198,-2.2 -196,-2.6 -2,-0.3 2,-1.2 -0.987 16.6-151.4-134.0 120.2 -1.3 21.7 5.1 495 203 B I E -j 298 0C 4 -18,-2.7 2,-0.3 -2,-0.4 -196,-0.2 -0.819 46.7-161.6 -91.1 97.9 -2.6 18.1 5.6 496 204 B S E -j 299 0C 0 -198,-2.3 -196,-2.6 -2,-1.2 4,-0.1 -0.641 50.5-174.6-108.2 145.7 -3.6 19.0 9.1 497 205 B V S > S+ 0 0 12 -2,-0.3 3,-2.1 -198,-0.2 4,-0.3 0.855 97.1 55.6 -87.7 -49.9 -4.6 17.5 12.5 498 206 B T G >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-1.9 0.832 92.8 71.0 -54.5 -32.5 -5.4 20.9 14.1 499 207 B A G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -200,-0.1 0.752 83.5 73.4 -57.4 -19.9 -7.9 21.6 11.3 500 208 B N G <4 S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.861 113.9 20.0 -62.5 -33.7 -10.1 18.9 12.9 501 209 B I T <4 S+ 0 0 3 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.623 136.1 35.7-113.5 -12.9 -11.0 21.2 15.7 502 210 B A X + 0 0 11 -4,-2.1 4,-2.6 1,-0.1 5,-0.3 -0.497 67.1 151.5-133.5 60.5 -10.2 24.7 14.3 503 211 B P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.895 74.4 47.8 -64.2 -38.6 -11.2 24.3 10.6 504 212 B K H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.971 113.5 47.4 -65.6 -46.8 -12.0 27.9 10.0 505 213 B A H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 113.9 46.9 -60.7 -42.6 -8.8 29.2 11.7 506 214 B M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.881 106.8 57.1 -69.1 -33.8 -6.7 26.8 9.7 507 215 B S H X S+ 0 0 19 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.891 110.5 46.5 -59.9 -38.0 -8.4 27.6 6.5 508 216 B E H X S+ 0 0 83 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.909 109.5 52.4 -71.8 -40.2 -7.4 31.3 7.1 509 217 B V H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.933 112.5 45.1 -61.5 -42.9 -3.8 30.4 8.1 510 218 B C H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.911 111.6 53.6 -69.0 -38.8 -3.3 28.5 4.8 511 219 B A H X S+ 0 0 59 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.939 114.2 39.8 -62.4 -47.2 -5.0 31.2 2.7 512 220 B V H <>S+ 0 0 20 -4,-2.6 5,-2.7 2,-0.2 9,-0.2 0.851 117.1 49.6 -72.8 -31.3 -2.7 34.0 4.0 513 221 B A H ><5S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.3 -2,-0.2 0.923 110.4 49.2 -71.4 -38.6 0.4 31.8 4.0 514 222 B I H 3<5S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.884 108.4 55.3 -65.0 -33.7 -0.2 30.6 0.4 515 223 B A T 3<5S- 0 0 76 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.485 117.5-119.9 -77.2 -1.7 -0.8 34.3 -0.5 516 224 B K T < 5 + 0 0 101 -3,-1.4 2,-1.1 1,-0.2 -3,-0.2 0.776 61.3 149.8 68.7 32.9 2.7 35.0 1.0 517 225 B D >< - 0 0 60 -5,-2.7 4,-2.4 1,-0.2 -1,-0.2 -0.806 23.2-175.3 -97.0 92.9 1.5 37.4 3.7 518 226 B E H > S+ 0 0 126 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.901 77.5 47.0 -59.2 -45.7 4.2 36.6 6.3 519 227 B Q H > S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 112.3 47.7 -70.4 -39.3 2.8 38.8 9.1 520 228 B Q H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.919 112.5 51.4 -65.4 -39.0 -0.9 37.6 8.7 521 229 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 -9,-0.2 5,-0.2 0.931 112.3 46.8 -60.3 -44.4 0.3 34.0 8.7 522 230 B K H X S+ 0 0 84 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.937 115.2 44.7 -61.7 -49.7 2.3 34.6 11.9 523 231 B T H X S+ 0 0 66 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.937 117.0 43.1 -63.7 -49.1 -0.5 36.4 13.7 524 232 B L H >X S+ 0 0 36 -4,-2.8 4,-0.7 -5,-0.2 3,-0.6 0.932 114.8 49.6 -67.3 -37.4 -3.2 34.0 12.8 525 233 B N H >X S+ 0 0 11 -4,-2.4 3,-1.2 -5,-0.3 4,-0.8 0.890 102.4 63.6 -68.5 -33.0 -1.1 30.9 13.4 526 234 B N H >< S+ 0 0 123 -4,-2.2 3,-0.6 1,-0.3 4,-0.4 0.847 94.4 60.7 -61.5 -30.4 -0.1 32.3 16.8 527 235 B K H << S+ 0 0 140 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.797 118.6 27.3 -65.0 -29.5 -3.7 32.1 18.0 528 236 B I H XX S+ 0 0 9 -3,-1.2 4,-1.4 -4,-0.7 3,-0.6 0.270 88.7 107.8-113.3 10.2 -3.8 28.4 17.5 529 237 B A H S+ 0 0 119 -4,-0.4 4,-2.7 1,-0.2 3,-0.5 0.861 102.5 58.0 -69.5 -25.9 -0.7 25.9 21.4 531 239 B L H <> S+ 0 0 2 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.897 98.5 58.8 -67.0 -37.9 -3.2 23.6 19.8 532 240 B H H < S+ 0 0 5 -4,-1.4 -51,-0.2 -3,-0.2 -1,-0.2 0.840 113.4 40.0 -58.7 -31.5 -0.6 22.3 17.4 533 241 B N H >< S+ 0 0 86 -4,-0.9 3,-1.6 -3,-0.5 -2,-0.2 0.928 113.8 49.2 -85.0 -47.0 1.4 21.2 20.4 534 242 B I H >< S+ 0 0 38 -4,-2.7 3,-1.7 1,-0.3 4,-0.2 0.755 96.6 70.7 -68.5 -21.4 -1.3 19.9 22.8 535 243 B L T 3< S+ 0 0 0 -4,-1.9 9,-0.5 1,-0.3 -1,-0.3 0.537 101.7 48.0 -76.4 5.6 -2.9 17.7 20.1 536 244 B F T < + 0 0 91 -3,-1.6 -1,-0.3 7,-0.1 -2,-0.2 0.158 68.9 114.1-126.2 19.7 0.2 15.5 20.4 537 245 B C S < S+ 0 0 41 -3,-1.7 2,-0.3 2,-0.1 -2,-0.1 0.810 97.8 15.5 -60.2 -32.8 0.5 15.1 24.1 538 246 B E S S- 0 0 29 -4,-0.2 27,-0.1 -3,-0.1 -427,-0.0 -0.899 122.3 -61.3-129.0 162.6 -0.3 11.4 23.4 539 247 B S S > S- 0 0 26 -2,-0.3 3,-2.7 -430,-0.3 -428,-0.1 -0.151 75.7 -79.5 -51.6 129.4 -0.0 9.9 19.9 540 248 B N T 3 S+ 0 0 7 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 -0.443 115.1 30.9 -60.5 142.2 -2.3 11.4 17.3 541 249 B P T 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 -0.882 103.9 79.4 -93.6 20.8 -5.3 10.9 16.9 542 250 B I H <> S+ 0 0 1 -3,-2.7 4,-1.7 1,-0.2 23,-0.5 0.956 102.1 36.3 -55.1 -55.1 -5.8 10.2 20.7 543 251 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.918 115.5 52.3 -66.0 -44.1 -5.9 13.9 21.7 544 252 B V H > S+ 0 0 0 -9,-0.5 4,-2.4 1,-0.2 5,-0.2 0.895 108.5 51.6 -65.2 -30.9 -7.7 15.2 18.7 545 253 B K H X S+ 0 0 10 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.925 110.8 48.1 -69.1 -37.6 -10.5 12.7 19.1 546 254 B W H X S+ 0 0 22 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 0.907 109.3 54.5 -65.8 -39.2 -10.8 13.7 22.8 547 255 B A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.913 107.2 49.4 -59.8 -46.8 -10.9 17.3 21.8 548 256 B L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.9 0.827 109.5 52.9 -64.0 -30.4 -13.7 16.7 19.4 549 257 B H H ><5S+ 0 0 59 -4,-1.6 3,-1.5 4,-0.2 -2,-0.2 0.926 107.1 50.2 -70.9 -39.0 -15.6 14.8 22.1 550 258 B E H 3<5S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.775 108.1 55.6 -66.6 -26.3 -15.2 17.8 24.6 551 259 B M T 3<5S- 0 0 38 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.503 116.9-119.2 -81.2 -4.9 -16.6 20.0 21.7 552 260 B G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.648 83.3 112.2 78.5 15.3 -19.6 17.7 21.6 553 261 B L S - 0 0 34 -2,-0.3 3,-2.2 4,-0.1 -250,-0.0 -0.706 40.2 -78.0 -97.5 137.2 -9.8 1.3 18.6 560 268 B L T 3 S+ 0 0 62 -2,-0.4 -478,-1.4 1,-0.4 -477,-0.4 -0.275 114.8 41.6 -58.7 143.7 -7.2 -0.7 20.4 561 269 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 -450,-0.4 -0.989 114.9 69.1 -76.2 -4.2 -4.3 -0.5 20.5 562 270 B L S < S- 0 0 5 -3,-2.2 -4,-0.1 -452,-0.1 -453,-0.1 -0.531 72.3-160.8 -71.6 157.7 -5.2 3.2 20.7 563 271 B T - 0 0 16 -2,-0.1 3,-0.1 -3,-0.1 -4,-0.1 -0.909 28.4 -85.7-134.7 157.0 -6.9 4.4 23.9 564 272 B P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 -0.327 69.7 -76.5 -59.4 149.0 -9.0 7.3 25.0 565 273 B L - 0 0 1 -23,-0.5 5,-0.1 1,-0.1 -3,-0.0 -0.140 61.9 -96.8 -48.4 132.4 -6.8 10.2 26.0 566 274 B A > - 0 0 22 -3,-0.1 3,-2.3 1,-0.1 4,-0.5 -0.233 32.5-116.0 -56.1 139.0 -5.5 9.5 29.4 567 275 B E G >> S+ 0 0 155 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.780 110.2 62.8 -44.7 -37.9 -7.5 11.2 32.2 568 276 B Q G 34 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.699 102.2 50.6 -67.6 -22.2 -4.7 13.5 33.3 569 277 B Y G <> S+ 0 0 79 -3,-2.3 4,-2.1 1,-0.1 -1,-0.3 0.552 89.8 81.6 -90.5 -9.8 -4.6 15.3 29.9 570 278 B R H <> S+ 0 0 55 -3,-1.4 4,-2.5 -4,-0.5 5,-0.2 0.916 92.2 44.3 -66.8 -43.9 -8.3 16.0 29.7 571 279 B E H X S+ 0 0 84 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.966 114.6 49.7 -67.6 -44.1 -8.4 19.2 31.9 572 280 B P H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.901 112.6 48.6 -60.9 -37.5 -5.3 20.6 30.2 573 281 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.937 109.9 50.8 -67.9 -42.8 -6.8 19.9 26.8 574 282 B R H X S+ 0 0 68 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.912 109.4 51.7 -61.3 -39.0 -10.1 21.5 27.8 575 283 B N H X S+ 0 0 68 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.869 109.0 50.1 -63.4 -40.2 -8.1 24.6 29.0 576 284 B A H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.883 110.5 50.4 -67.8 -38.4 -6.3 24.8 25.7 577 285 B L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 6,-0.8 0.919 113.7 45.2 -60.1 -45.1 -9.7 24.6 23.8 578 286 B K H ><5S+ 0 0 108 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.947 110.0 54.0 -69.5 -39.8 -11.1 27.4 26.0 579 287 B D H 3<5S+ 0 0 136 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.878 111.2 46.8 -59.3 -38.3 -7.9 29.5 25.6 580 288 B A T 3<5S- 0 0 36 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.463 116.2-114.5 -86.6 -1.2 -8.3 29.3 21.8 581 289 B G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.640 81.6 121.6 82.1 12.8 -12.0 30.1 21.9 582 290 B I < 0 0 43 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 0.855 360.0 360.0 -80.0 -37.5 -13.1 26.7 20.6 583 291 B I 0 0 96 -6,-0.8 -2,-0.2 -9,-0.2 -1,-0.1 -0.897 360.0 360.0-131.5 360.0 -15.3 25.8 23.6