==== 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 LYASE 08-JUL-09 3I7R . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR R.C.J.DOBSON,G.B.JAMESON,J.A.GERRARD,T.P.SOARES DA COSTA . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 71.7 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 . 30 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 4 2 0 3 0 1 1 5 2 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 M 0 0 98 0, 0.0 97,-0.1 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 130.1 15.8 -21.2 -9.5 2 2 A F + 0 0 40 198,-0.0 2,-0.3 36,-0.0 198,-0.1 -0.058 360.0 70.4-133.4 30.4 18.0 -19.0 -11.7 3 3 A T S S+ 0 0 56 2,-0.1 198,-0.2 179,-0.1 34,-0.1 -0.859 78.8 26.2-133.0 173.7 16.4 -15.5 -11.3 4 4 A G E S-a 201 0A 14 196,-2.0 198,-2.2 -2,-0.3 2,-0.7 -0.348 110.6 -11.3 75.3-152.9 16.1 -12.9 -8.5 5 5 A S E -a 202 0A 1 30,-0.3 32,-2.6 196,-0.2 33,-0.7 -0.758 64.6-178.8 -91.5 110.6 18.6 -12.6 -5.6 6 6 A I E -ab 203 38A 0 196,-2.9 198,-3.2 -2,-0.7 2,-0.4 -0.932 20.0-136.2-112.2 124.3 21.0 -15.6 -5.5 7 7 A V E -ab 204 39A 0 31,-2.0 33,-3.1 -2,-0.5 2,-1.2 -0.658 7.9-148.9 -87.9 132.4 23.6 -15.6 -2.7 8 8 A A E - b 0 40A 2 196,-2.7 200,-0.2 -2,-0.4 33,-0.1 -0.844 41.8-146.8 -88.6 91.9 27.3 -16.5 -3.3 9 9 A I - 0 0 2 31,-1.5 33,-0.4 -2,-1.2 34,-0.4 -0.363 4.1-123.0 -78.6 140.5 27.3 -17.8 0.2 10 10 A V - 0 0 1 195,-0.1 36,-0.3 -2,-0.1 -1,-0.1 -0.347 19.3-126.4 -66.0 156.4 30.4 -17.7 2.5 11 11 A T - 0 0 2 34,-0.5 2,-0.1 30,-0.1 -1,-0.1 -0.901 29.7-144.8-104.6 97.3 31.7 -21.0 4.0 12 12 A P - 0 0 1 0, 0.0 8,-3.1 0, 0.0 2,-0.3 -0.442 20.4-166.6 -68.2 139.7 31.7 -20.2 7.7 13 13 A M B -I 19 0B 1 251,-0.4 253,-0.4 253,-0.4 251,-0.4 -0.811 20.1-121.9-122.2 160.0 34.6 -21.8 9.5 14 14 A D > - 0 0 56 4,-2.2 3,-2.0 -2,-0.3 6,-0.1 -0.280 55.0 -82.1 -82.3-176.5 35.6 -22.5 13.1 15 15 A E T 3 S+ 0 0 164 1,-0.3 252,-0.1 2,-0.1 -1,-0.0 0.648 131.0 61.6 -68.0 -13.1 38.9 -21.1 14.4 16 16 A K T 3 S- 0 0 172 2,-0.2 -1,-0.3 250,-0.1 3,-0.1 0.490 117.6-110.8 -88.1 -3.9 40.7 -24.1 12.8 17 17 A G S < S+ 0 0 5 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.625 76.3 127.5 82.1 14.3 39.5 -23.1 9.3 18 18 A N S S- 0 0 74 1,-0.1 -4,-2.2 249,-0.0 -1,-0.3 -0.771 72.5 -78.9-101.5 152.5 37.0 -26.1 8.9 19 19 A V B -I 13 0B 45 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.3 -0.145 40.1-140.3 -51.2 131.4 33.3 -25.7 8.0 20 20 A C > - 0 0 23 -8,-3.1 4,-2.3 1,-0.2 5,-0.1 -0.861 12.9-167.1-100.4 104.1 31.2 -24.7 10.9 21 21 A R H > S+ 0 0 126 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.887 85.2 51.0 -58.9 -49.1 27.9 -26.6 10.7 22 22 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 113.1 47.1 -57.5 -43.4 25.9 -24.5 13.2 23 23 A S H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.882 111.3 51.3 -65.3 -38.5 26.9 -21.3 11.4 24 24 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.949 109.4 49.2 -64.9 -47.9 26.0 -22.8 8.0 25 25 A K H X S+ 0 0 93 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.914 110.3 52.2 -55.7 -44.9 22.5 -23.9 9.2 26 26 A K H X S+ 0 0 114 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.901 110.7 47.6 -59.2 -44.6 22.0 -20.4 10.6 27 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 112.5 48.5 -61.6 -41.8 22.9 -18.8 7.3 28 28 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.903 111.6 48.6 -72.1 -38.9 20.7 -21.2 5.3 29 29 A D H X S+ 0 0 56 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.902 109.8 54.5 -60.3 -44.6 17.7 -20.6 7.6 30 30 A Y H X S+ 0 0 52 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.906 109.8 45.8 -55.0 -45.8 18.4 -16.8 7.3 31 31 A H H X>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 4,-0.7 0.798 111.3 52.5 -72.2 -28.8 18.2 -17.1 3.5 32 32 A V H ><5S+ 0 0 50 -4,-1.7 3,-0.8 2,-0.2 -2,-0.2 0.949 113.3 43.4 -68.0 -50.0 15.0 -19.2 3.6 33 33 A A H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.809 112.5 54.7 -63.2 -32.4 13.3 -16.6 5.8 34 34 A S H 3<5S- 0 0 20 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.571 110.5-113.5 -83.2 -13.1 14.6 -13.7 3.7 35 35 A G T <<5 + 0 0 43 -3,-0.8 -30,-0.3 -4,-0.7 -3,-0.2 0.706 51.7 167.6 83.9 20.2 13.3 -14.8 0.3 36 36 A T < - 0 0 9 -5,-1.8 -1,-0.2 -6,-0.2 -30,-0.2 -0.490 31.8-141.1 -62.6 138.3 16.7 -15.4 -1.3 37 37 A S - 0 0 33 -32,-2.6 2,-0.3 1,-0.2 -31,-0.2 0.788 65.8 -18.2 -78.8 -33.1 16.1 -17.4 -4.5 38 38 A A E -b 6 0A 0 -33,-0.7 -31,-2.0 33,-0.1 2,-0.4 -0.973 58.7-118.7-168.1 161.6 19.0 -19.8 -4.5 39 39 A I E -bc 7 73A 0 33,-2.6 35,-4.0 -2,-0.3 2,-0.7 -0.933 9.6-150.8-113.8 132.5 22.4 -20.5 -3.0 40 40 A V E -bc 8 74A 0 -33,-3.1 -31,-1.5 -2,-0.4 2,-0.5 -0.933 23.9-150.9 -95.5 115.8 25.7 -20.8 -4.8 41 41 A S E - c 0 75A 0 33,-3.7 35,-3.2 -2,-0.7 60,-0.2 -0.792 65.9 -6.1 -94.5 128.7 27.7 -23.2 -2.7 42 42 A V S S+ 0 0 1 -2,-0.5 -1,-0.2 -33,-0.4 2,-0.1 0.885 85.3 142.0 53.8 48.9 31.6 -22.9 -2.7 43 43 A G S >S- 0 0 7 -3,-0.4 5,-1.6 -34,-0.4 3,-0.5 -0.162 77.4 -66.7 -83.4-163.3 32.1 -20.3 -5.4 44 44 A T T > 5S+ 0 0 9 1,-0.2 3,-2.0 3,-0.2 5,-0.2 0.904 140.0 51.4 -54.7 -47.8 34.8 -17.7 -4.8 45 45 A T T 3 5S+ 0 0 2 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.796 106.8 56.5 -63.5 -26.2 33.0 -16.1 -1.8 46 46 A G T 3 5S- 0 0 0 -3,-0.5 -1,-0.3 -36,-0.3 -2,-0.2 0.193 121.1-110.2 -88.9 15.1 32.8 -19.6 -0.4 47 47 A E T X>5 + 0 0 6 -3,-2.0 3,-1.1 1,-0.1 4,-0.9 0.841 55.3 163.9 57.7 43.5 36.6 -20.0 -0.6 48 48 A S T 34 - 0 0 76 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.363 35.0 -96.5 -78.8 171.4 40.3 -29.2 -1.5 53 53 A H H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.856 124.8 48.8 -60.9 -36.2 37.9 -31.0 -3.7 54 54 A D H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.933 113.4 46.2 -67.3 -45.3 36.7 -33.4 -0.9 55 55 A E H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.871 112.8 52.0 -61.6 -39.0 36.2 -30.5 1.5 56 56 A H H X S+ 0 0 7 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.965 111.2 45.7 -62.6 -53.9 34.4 -28.6 -1.3 57 57 A A H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.902 109.8 56.0 -56.3 -44.6 32.0 -31.5 -1.9 58 58 A D H X S+ 0 0 103 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.907 109.4 46.0 -52.5 -46.2 31.5 -31.9 1.8 59 59 A V H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.935 112.6 49.2 -65.7 -49.1 30.3 -28.3 2.1 60 60 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 113.9 46.5 -53.7 -47.3 28.0 -28.5 -1.0 61 61 A M H X S+ 0 0 66 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.859 113.3 48.2 -66.6 -37.3 26.5 -31.7 0.4 62 62 A M H X S+ 0 0 49 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.886 110.8 51.4 -69.8 -40.4 26.0 -30.3 3.9 63 63 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.916 110.8 48.8 -60.0 -45.4 24.5 -27.1 2.4 64 64 A L H X>S+ 0 0 32 -4,-2.4 4,-1.9 2,-0.2 5,-0.5 0.937 112.4 47.2 -61.5 -50.7 22.0 -29.3 0.4 65 65 A D H <5S+ 0 0 104 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.947 114.9 46.8 -53.3 -51.5 21.1 -31.4 3.5 66 66 A L H <5S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 106.8 56.7 -61.9 -36.3 20.6 -28.2 5.6 67 67 A A H ><5S- 0 0 1 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.2 0.887 87.4-167.3 -62.5 -37.7 18.6 -26.6 2.8 68 68 A D T 3<5 - 0 0 127 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.887 66.6 -56.8 53.1 45.5 16.3 -29.6 3.1 69 69 A G T 3 S- 0 0 7 1,-0.1 4,-2.4 482,-0.1 3,-0.2 -0.968 76.7-145.8-110.9 126.9 41.8 -27.8 -16.1 82 82 A T H > S+ 0 0 4 480,-0.9 4,-2.3 -2,-0.5 5,-0.2 0.911 100.0 51.0 -57.1 -48.2 39.0 -29.3 -18.2 83 83 A A H > S+ 0 0 78 479,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.864 111.9 49.5 -54.8 -39.6 39.5 -32.9 -16.9 84 84 A E H > S+ 0 0 75 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.871 109.1 50.7 -68.6 -42.0 39.4 -31.5 -13.3 85 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.882 111.1 49.0 -64.5 -40.2 36.2 -29.5 -14.0 86 86 A I H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.929 111.8 49.7 -62.7 -45.4 34.5 -32.6 -15.4 87 87 A S H X S+ 0 0 55 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.922 111.9 46.6 -62.9 -46.7 35.6 -34.6 -12.3 88 88 A L H < S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 3,-0.4 0.911 112.0 51.7 -62.7 -42.2 34.3 -32.0 -9.9 89 89 A T H >X S+ 0 0 1 -4,-2.3 3,-1.6 -12,-0.2 4,-0.8 0.897 103.9 57.7 -58.3 -43.5 31.0 -31.8 -11.8 90 90 A Q H >< S+ 0 0 96 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.801 93.3 68.0 -63.5 -28.6 30.5 -35.6 -11.7 91 91 A R T 3< S+ 0 0 101 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.776 106.8 40.7 -56.4 -28.5 30.7 -35.5 -7.9 92 92 A F T X4 S+ 0 0 0 -3,-1.6 3,-1.5 -4,-0.5 5,-0.4 0.539 82.8 121.7-104.4 -10.7 27.4 -33.7 -7.9 93 93 A N T << S+ 0 0 49 -4,-0.8 33,-0.0 -3,-0.5 -3,-0.0 -0.252 88.9 6.0 -50.5 139.2 25.6 -35.6 -10.6 94 94 A D T 3 S+ 0 0 173 3,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.795 102.5 115.6 51.1 37.2 22.3 -37.1 -9.3 95 95 A S S < S- 0 0 37 -3,-1.5 -2,-0.1 2,-0.2 -1,-0.1 0.664 87.9-100.5-107.1 -22.0 22.9 -35.3 -5.9 96 96 A G S S+ 0 0 52 1,-0.5 -23,-0.3 -4,-0.3 2,-0.1 0.224 78.6 128.3 110.6 -13.9 20.0 -32.8 -5.6 97 97 A I - 0 0 8 -5,-0.4 -1,-0.5 1,-0.1 -23,-0.2 -0.502 52.8-145.6 -68.1 149.7 21.8 -29.6 -6.6 98 98 A V - 0 0 51 -25,-2.0 2,-0.3 1,-0.2 -24,-0.2 0.616 66.9 -18.2 -93.9 -13.9 19.9 -27.8 -9.4 99 99 A G E -d 74 0A 0 -26,-0.6 -24,-2.2 29,-0.2 2,-0.4 -0.987 60.1-107.3-175.5 175.2 22.8 -26.5 -11.3 100 100 A C E -de 75 130A 0 29,-2.6 31,-2.8 -2,-0.3 2,-0.6 -0.933 11.3-148.2-122.0 144.6 26.5 -25.6 -11.5 101 101 A L E -de 76 131A 5 -26,-2.8 -24,-2.2 -2,-0.4 -23,-0.7 -0.942 25.4-174.8-109.8 111.7 28.4 -22.3 -11.6 102 102 A T E - e 0 132A 1 29,-2.5 31,-1.4 -2,-0.6 2,-0.1 -0.909 10.7-149.3-122.2 112.6 31.5 -22.8 -13.7 103 103 A V E - e 0 133A 7 -2,-0.6 -24,-0.5 29,-0.2 31,-0.2 -0.382 30.0 -97.6 -75.7 147.2 34.2 -20.1 -14.1 104 104 A T - 0 0 0 29,-2.1 -1,-0.1 1,-0.1 37,-0.1 -0.424 61.3 -82.1 -55.4 134.9 36.4 -19.5 -17.1 105 105 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 4,-0.2 -0.165 53.0-145.1 -40.2 127.4 39.8 -21.2 -16.6 106 106 A Y + 0 0 35 -3,-0.1 2,-2.2 2,-0.1 34,-0.2 -0.636 67.3 10.0 -96.2 156.8 42.0 -18.8 -14.5 107 107 A Y S S+ 0 0 12 32,-1.5 -1,-0.1 324,-0.9 325,-0.1 -0.226 114.4 67.8 77.9 -50.7 45.8 -18.3 -14.8 108 108 A N S S- 0 0 11 -2,-2.2 -1,-0.2 -28,-0.0 -2,-0.1 0.551 88.0-147.2 -83.7 -6.9 46.4 -20.4 -18.0 109 109 A R - 0 0 106 30,-0.4 -3,-0.1 -4,-0.2 432,-0.1 0.888 16.8-159.8 47.0 65.4 44.5 -17.8 -20.1 110 110 A P - 0 0 8 0, 0.0 454,-0.1 0, 0.0 -1,-0.1 -0.220 18.6-104.3 -69.3 165.2 42.9 -20.0 -22.9 111 111 A S > - 0 0 35 452,-0.3 4,-2.6 429,-0.1 5,-0.2 -0.258 37.4 -97.7 -77.2 173.5 41.6 -18.6 -26.2 112 112 A Q H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.932 130.4 49.9 -58.1 -43.2 38.0 -18.1 -27.1 113 113 A E H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.911 109.2 52.1 -57.5 -45.2 38.1 -21.5 -28.8 114 114 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.896 109.4 49.4 -57.6 -42.4 39.7 -23.0 -25.7 115 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.934 110.5 50.6 -63.9 -45.4 36.9 -21.6 -23.6 116 116 A Y H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.931 113.0 44.9 -56.1 -49.6 34.3 -23.0 -26.0 117 117 A Q H X S+ 0 0 61 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.843 111.8 54.1 -65.9 -35.6 35.9 -26.5 -25.8 118 118 A H H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.970 116.5 35.2 -60.6 -56.1 36.3 -26.3 -22.0 119 119 A F H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.846 114.1 57.1 -74.1 -35.1 32.6 -25.5 -21.4 120 120 A K H X S+ 0 0 62 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.955 110.0 46.2 -56.1 -48.6 31.3 -27.7 -24.2 121 121 A A H X S+ 0 0 16 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.885 111.2 50.5 -63.8 -45.2 33.1 -30.8 -22.7 122 122 A I H >< S+ 0 0 1 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.956 111.1 49.8 -53.0 -51.8 31.9 -30.0 -19.1 123 123 A A H >< S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.851 105.7 57.6 -59.8 -35.7 28.3 -29.7 -20.4 124 124 A E H 3< S+ 0 0 125 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.656 102.6 54.0 -69.3 -19.6 28.6 -33.0 -22.2 125 125 A H T << S+ 0 0 85 -3,-1.4 2,-0.3 -4,-0.7 -1,-0.3 0.090 110.9 44.0-104.1 20.2 29.5 -35.0 -19.1 126 126 A T < - 0 0 11 -3,-1.2 30,-0.1 2,-0.1 -36,-0.1 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224 B G T < 5S+ 0 0 37 -3,-1.2 2,-1.4 -4,-0.4 3,-0.2 0.575 76.1 134.5 87.6 12.2 77.8 -5.4 -19.8 518 225 B H >< + 0 0 84 -5,-3.1 4,-2.3 -6,-0.2 5,-0.2 -0.545 19.6 157.1 -92.5 69.4 78.1 -5.8 -23.5 519 226 B F H > + 0 0 51 -2,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.808 66.5 54.0 -69.4 -34.9 74.5 -4.6 -24.2 520 227 B A H > S+ 0 0 72 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.939 112.5 45.4 -64.9 -46.6 75.0 -3.5 -27.9 521 228 B E H > S+ 0 0 106 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.931 114.7 48.0 -58.5 -48.0 76.4 -7.0 -28.7 522 229 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.864 106.1 59.9 -61.3 -36.4 73.6 -8.7 -26.7 523 230 B R H X S+ 0 0 62 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.824 95.5 60.1 -65.0 -34.3 71.1 -6.5 -28.5 524 231 B V H X S+ 0 0 83 -4,-1.4 4,-1.3 -3,-0.4 -1,-0.2 0.932 110.4 42.7 -58.7 -44.7 72.0 -7.8 -32.0 525 232 B I H >X S+ 0 0 11 -4,-1.1 4,-1.6 1,-0.2 3,-0.5 0.944 112.5 53.2 -62.7 -47.1 71.0 -11.2 -30.8 526 233 B N H 3X S+ 0 0 10 -4,-2.4 4,-1.1 1,-0.3 -2,-0.2 0.856 104.0 57.2 -59.7 -37.7 67.9 -9.9 -29.1 527 234 B Q H 3< S+ 0 0 123 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.864 107.5 46.8 -60.4 -40.1 66.8 -8.2 -32.4 528 235 B R H << S+ 0 0 86 -4,-1.3 4,-0.3 -3,-0.5 -1,-0.2 0.781 116.5 45.0 -74.7 -24.7 66.9 -11.5 -34.2 529 236 B L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.1 3,-0.2 0.605 88.4 93.0 -87.1 -12.6 64.9 -13.2 -31.4 530 237 B M H X S+ 0 0 49 -4,-1.1 4,-1.8 1,-0.2 5,-0.2 0.844 82.3 50.6 -58.8 -44.0 62.4 -10.4 -31.0 531 238 B P H > S+ 0 0 34 0, 0.0 4,-3.8 0, 0.0 5,-0.3 0.938 113.0 48.3 -58.5 -40.8 59.7 -11.7 -33.4 532 239 B L H > S+ 0 0 0 46,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.934 106.8 56.6 -60.4 -43.1 60.0 -15.0 -31.5 533 240 B H H < S+ 0 0 2 -4,-2.5 -51,-0.4 1,-0.2 -1,-0.2 0.840 119.7 31.8 -56.5 -37.1 59.7 -13.1 -28.2 534 241 B N H >< S+ 0 0 84 -4,-1.8 3,-1.6 -3,-0.2 -2,-0.2 0.910 118.6 50.0 -85.2 -51.4 56.4 -11.7 -29.4 535 242 B K H >< S+ 0 0 85 -4,-3.8 3,-1.5 1,-0.3 4,-0.4 0.634 90.8 75.8 -73.9 -14.2 54.9 -14.5 -31.6 536 243 B L T 3< S+ 0 0 0 -4,-2.1 9,-0.4 -5,-0.3 -1,-0.3 0.564 104.7 42.6 -69.1 -1.6 55.4 -17.2 -29.0 537 244 B F T < S+ 0 0 85 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.154 75.8 108.1-125.3 16.8 52.4 -15.5 -27.5 538 245 B V S < S+ 0 0 65 -3,-1.5 -2,-0.1 33,-0.1 -3,-0.1 0.865 98.4 20.7 -60.5 -33.7 50.4 -15.0 -30.7 539 246 B E S S- 0 0 29 -4,-0.4 28,-0.1 32,-0.1 -1,-0.0 -0.868 122.1 -62.1-128.3 161.3 48.2 -17.8 -29.2 540 247 B P S > S- 0 0 28 0, 0.0 3,-2.6 0, 0.0 25,-0.1 -0.167 74.6 -81.5 -55.3 127.9 48.2 -18.8 -25.5 541 248 B N T 3 S+ 0 0 7 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 -0.471 114.3 27.3 -58.4 134.2 51.5 -20.0 -24.1 542 249 B P T 3> S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.3 -0.872 103.4 80.6 -96.5 23.3 52.5 -22.9 -24.5 543 250 B I H <> S+ 0 0 5 -3,-2.6 4,-1.9 1,-0.2 24,-0.2 0.952 100.7 38.6 -56.2 -52.1 50.6 -23.5 -27.8 544 251 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.917 116.9 50.3 -66.4 -40.0 53.1 -21.7 -30.1 545 252 B V H > S+ 0 0 0 -9,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.862 109.9 49.4 -70.2 -35.4 56.2 -22.9 -28.3 546 253 B K H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.919 112.1 49.3 -66.3 -41.4 55.2 -26.6 -28.3 547 254 B W H X S+ 0 0 15 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.948 111.2 49.6 -60.7 -44.9 54.4 -26.3 -32.0 548 255 B A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 6,-0.2 0.909 109.8 51.1 -58.8 -45.4 57.9 -24.6 -32.5 549 256 B C H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 6,-1.1 0.888 111.8 47.3 -58.1 -42.4 59.5 -27.5 -30.6 550 257 B K H ><5S+ 0 0 91 -4,-2.3 3,-1.3 4,-0.2 -2,-0.2 0.914 110.0 53.0 -66.0 -42.6 57.7 -30.0 -32.8 551 258 B E H 3<5S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.831 109.4 48.5 -61.2 -35.5 58.7 -28.1 -36.0 552 259 B L T 3<5S- 0 0 50 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.469 116.3-116.8 -81.8 -1.9 62.4 -28.1 -34.9 553 260 B G T < 5S+ 0 0 47 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.664 81.2 124.1 71.8 16.4 62.1 -31.9 -34.2 554 261 B L S - 0 0 48 -2,-0.2 3,-2.1 4,-0.1 -218,-0.1 -0.865 53.9 -66.0-105.9 141.1 45.7 -30.6 -22.5 562 269 B L T 3 S+ 0 0 70 -2,-0.4 -480,-0.9 1,-0.3 -479,-0.4 -0.342 118.5 43.7 -54.1 140.7 42.4 -28.7 -22.5 563 270 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -452,-0.3 -0.965 108.9 76.2 -79.7 5.6 41.7 -25.8 -22.1 564 271 B M S < S- 0 0 10 -3,-2.1 -4,-0.1 -454,-0.1 -455,-0.0 -0.618 71.6-163.2 -74.4 140.9 44.7 -25.3 -24.4 565 272 B T - 0 0 13 -2,-0.2 3,-0.1 1,-0.1 -451,-0.1 -0.875 27.6 -75.9-127.0 160.0 43.8 -26.1 -28.0 566 273 B P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.102 57.6 -94.0 -57.0 151.1 45.9 -26.9 -31.2 567 274 B I - 0 0 8 -24,-0.2 2,-0.1 -9,-0.1 -9,-0.0 -0.277 41.0-119.7 -59.1 143.9 47.6 -24.0 -33.0 568 275 B T > - 0 0 72 1,-0.1 4,-2.0 -3,-0.1 3,-0.2 -0.493 23.5-109.7 -81.8 161.3 45.7 -22.4 -35.9 569 276 B D H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.888 121.3 52.1 -54.5 -41.3 47.1 -22.4 -39.5 570 277 B S H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.843 107.7 51.1 -66.6 -35.7 47.7 -18.7 -39.2 571 278 B G H > S+ 0 0 1 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.854 106.7 54.4 -68.3 -37.5 49.6 -19.1 -35.9 572 279 B R H X S+ 0 0 88 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.903 109.6 48.6 -59.2 -42.9 51.8 -21.8 -37.6 573 280 B E H X S+ 0 0 150 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.936 112.8 46.7 -63.0 -49.0 52.6 -19.2 -40.3 574 281 B T H X S+ 0 0 36 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.924 116.3 44.1 -58.2 -49.1 53.4 -16.5 -37.8 575 282 B V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.935 111.2 52.2 -70.6 -46.1 55.6 -18.7 -35.6 576 283 B R H X S+ 0 0 87 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.908 109.2 51.8 -53.8 -42.8 57.4 -20.4 -38.5 577 284 B A H X S+ 0 0 60 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.895 109.9 49.1 -62.0 -40.1 58.3 -16.8 -39.9 578 285 B A H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -46,-0.4 0.879 108.9 52.4 -63.3 -42.5 59.6 -15.9 -36.4 579 286 B L H <>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 6,-0.7 0.891 111.9 46.8 -60.2 -42.7 61.8 -19.1 -36.3 580 287 B K H ><5S+ 0 0 121 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.933 108.3 53.5 -65.0 -47.3 63.2 -18.2 -39.7 581 288 B H H 3<5S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.882 109.5 51.0 -53.8 -38.5 63.9 -14.6 -38.7 582 289 B A T 3<5S- 0 0 5 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.535 116.7-120.3 -74.3 -9.5 65.8 -16.1 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