==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-JUL-05 2A6L . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.C.DOBSON,S.R.DEVENISH,L.A.TURNER,V.R.CLIFFORD,F.G.PEARCE, . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 71.1 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 . 29 5.0 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 . 207 35.4 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 0 2 3 1 0 2 5 1 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 0 103 0, 0.0 97,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -49.3 -26.0 3.5 8.9 2 2 A F + 0 0 37 198,-0.1 2,-0.3 36,-0.0 198,-0.1 -0.018 360.0 59.9-129.1 28.6 -25.4 6.1 11.6 3 3 A T S S+ 0 0 72 2,-0.1 198,-0.3 179,-0.1 2,-0.1 -0.921 84.6 25.3-140.8 172.0 -21.6 6.5 11.2 4 4 A G E S-a 201 0A 15 196,-2.3 198,-2.0 -2,-0.3 2,-0.8 -0.356 110.3 -10.5 75.2-155.6 -19.1 7.4 8.5 5 5 A S E -a 202 0A 1 30,-0.2 32,-2.4 196,-0.2 33,-0.8 -0.724 65.6-178.9 -86.1 110.4 -20.0 9.7 5.6 6 6 A I E -ab 203 38A 0 196,-2.9 198,-3.5 -2,-0.8 2,-0.4 -0.931 20.0-135.9-110.4 128.5 -23.7 10.4 5.4 7 7 A V E -ab 204 39A 0 31,-2.2 33,-3.3 -2,-0.5 2,-1.2 -0.697 6.0-149.4 -89.5 130.9 -25.0 12.6 2.6 8 8 A A E - b 0 40A 2 196,-2.9 200,-0.1 -2,-0.4 33,-0.1 -0.824 41.4-146.7 -88.4 89.2 -27.6 15.3 3.2 9 9 A I - 0 0 2 31,-1.4 33,-0.4 -2,-1.2 34,-0.4 -0.316 3.5-121.6 -76.5 140.9 -28.8 14.7 -0.3 10 10 A V - 0 0 1 195,-0.1 36,-0.2 36,-0.1 -1,-0.1 -0.355 19.8-124.4 -66.4 155.0 -30.3 17.4 -2.6 11 11 A T - 0 0 2 34,-0.5 -1,-0.1 30,-0.1 2,-0.0 -0.877 31.7-143.1 -99.8 95.4 -33.8 17.0 -3.9 12 12 A P - 0 0 0 0, 0.0 8,-2.7 0, 0.0 2,-0.3 -0.372 21.8-164.8 -66.1 138.1 -33.1 17.3 -7.7 13 13 A M B -I 19 0B 1 251,-0.5 253,-0.5 253,-0.3 251,-0.4 -0.853 18.7-125.8-122.9 156.9 -35.8 19.1 -9.5 14 14 A D > - 0 0 54 4,-2.6 3,-1.9 -2,-0.3 6,-0.1 -0.295 52.8 -84.6 -82.2-179.9 -37.0 19.6 -13.1 15 15 A E T 3 S+ 0 0 133 1,-0.3 252,-0.1 2,-0.1 -1,-0.0 0.744 130.3 59.9 -61.9 -22.7 -37.4 23.2 -14.4 16 16 A K T 3 S- 0 0 175 2,-0.1 -1,-0.3 250,-0.1 3,-0.1 0.499 119.0-107.9 -83.2 -6.3 -40.9 23.2 -12.9 17 17 A G S < S+ 0 0 5 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.626 77.8 125.9 89.6 15.4 -39.6 22.6 -9.4 18 18 A N S S- 0 0 71 1,-0.1 -4,-2.6 249,-0.0 -1,-0.3 -0.790 72.2 -81.1-107.4 152.9 -40.8 19.0 -9.0 19 19 A V B -I 13 0B 44 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.3 -0.192 38.0-139.6 -55.4 132.6 -38.6 16.1 -8.1 20 20 A C > - 0 0 24 -8,-2.7 4,-2.4 1,-0.2 5,-0.2 -0.861 12.4-166.3 -99.3 105.4 -36.6 14.7 -11.0 21 21 A R H > S+ 0 0 128 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.866 86.3 51.8 -62.4 -40.9 -36.7 10.9 -10.7 22 22 A A H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 112.3 46.2 -63.8 -42.3 -33.9 10.3 -13.3 23 23 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.896 111.8 51.0 -67.4 -41.4 -31.6 12.7 -11.5 24 24 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.912 110.2 49.7 -62.0 -44.4 -32.4 11.2 -8.0 25 25 A K H X S+ 0 0 91 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.918 110.4 51.1 -57.4 -46.4 -31.7 7.7 -9.3 26 26 A K H X S+ 0 0 111 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.925 111.5 47.4 -58.9 -47.3 -28.3 8.9 -10.8 27 27 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 234,-0.2 -2,-0.2 0.903 112.4 48.6 -59.4 -45.5 -27.4 10.5 -7.4 28 28 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.905 111.1 49.5 -67.2 -42.6 -28.4 7.3 -5.4 29 29 A D H X S+ 0 0 59 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.893 109.8 53.8 -56.7 -43.1 -26.4 5.0 -7.7 30 30 A Y H X S+ 0 0 52 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.886 109.9 46.0 -60.4 -41.9 -23.4 7.5 -7.3 31 31 A H H X>S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 4,-0.9 0.853 112.5 49.8 -72.9 -35.9 -23.6 7.2 -3.5 32 32 A V H ><5S+ 0 0 49 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.942 115.9 43.7 -63.3 -47.5 -23.9 3.4 -3.6 33 33 A A H 3<5S+ 0 0 89 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 112.6 53.8 -64.0 -33.8 -20.9 3.3 -6.0 34 34 A S H 3<5S- 0 0 21 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.613 112.0-113.0 -81.1 -15.8 -19.0 5.9 -3.9 35 35 A G T <<5 + 0 0 46 -4,-0.9 -30,-0.2 -3,-0.6 -3,-0.2 0.649 51.4 169.5 88.2 17.0 -19.2 4.1 -0.5 36 36 A T < - 0 0 10 -5,-1.8 -1,-0.2 -6,-0.2 -30,-0.2 -0.425 31.5-141.2 -57.9 133.4 -21.5 6.7 1.1 37 37 A S - 0 0 40 -32,-2.4 2,-0.3 1,-0.2 -31,-0.2 0.830 68.5 -17.0 -73.6 -36.8 -22.7 5.1 4.4 38 38 A A E -b 6 0A 0 -33,-0.8 -31,-2.2 33,-0.1 2,-0.4 -0.980 58.5-119.7-162.3 164.7 -26.3 6.5 4.3 39 39 A I E -bc 7 73A 0 33,-2.6 35,-3.1 -2,-0.3 2,-0.7 -0.949 11.2-151.9-114.1 131.0 -28.6 9.0 2.8 40 40 A V E -bc 8 74A 0 -33,-3.3 -31,-1.4 -2,-0.4 2,-0.5 -0.934 22.6-152.7 -97.3 116.5 -30.5 11.7 4.6 41 41 A S E - c 0 75A 0 33,-3.1 35,-2.9 -2,-0.7 60,-0.2 -0.804 66.4 -4.1 -99.2 126.4 -33.6 12.3 2.5 42 42 A V S S+ 0 0 1 -2,-0.5 -1,-0.2 -33,-0.4 2,-0.1 0.922 88.1 142.2 56.3 51.5 -35.4 15.8 2.7 43 43 A G S >S- 0 0 8 -3,-0.5 5,-1.4 -34,-0.4 3,-0.3 -0.119 76.1 -66.0 -86.1-160.2 -33.2 17.4 5.3 44 44 A T T > 5S+ 0 0 17 1,-0.2 3,-1.6 2,-0.2 5,-0.2 0.920 140.1 49.6 -56.0 -48.2 -32.2 21.0 5.1 45 45 A T T 3 5S+ 0 0 3 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.752 105.4 60.2 -66.5 -23.6 -30.1 20.4 2.0 46 46 A G T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 -36,-0.2 -2,-0.2 0.239 118.6-109.7 -88.0 12.4 -33.1 18.6 0.5 47 47 A E T X>5 + 0 0 7 -3,-1.6 4,-0.8 1,-0.1 3,-0.8 0.894 54.7 165.0 60.8 46.5 -35.3 21.7 0.7 48 48 A S T 34 - 0 0 83 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.330 33.9 -98.8 -73.7 167.2 -45.2 20.1 1.5 53 53 A H H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.836 123.9 51.4 -61.5 -34.0 -45.5 17.0 3.7 54 54 A D H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 114.2 42.6 -65.4 -48.0 -47.0 15.0 0.8 55 55 A E H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.884 112.7 54.8 -64.5 -41.6 -44.2 16.0 -1.6 56 56 A H H X S+ 0 0 8 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.942 110.8 45.3 -52.7 -52.9 -41.7 15.4 1.3 57 57 A A H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.883 109.6 54.5 -64.1 -40.5 -43.0 11.9 1.8 58 58 A D H X S+ 0 0 101 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.890 109.2 48.7 -58.4 -41.7 -43.1 11.1 -2.0 59 59 A V H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 112.9 46.9 -66.4 -44.3 -39.4 12.1 -2.2 60 60 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 114.6 46.4 -62.4 -48.4 -38.5 9.9 0.8 61 61 A M H X S+ 0 0 65 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.875 113.2 49.7 -62.8 -39.1 -40.5 6.9 -0.5 62 62 A M H X S+ 0 0 47 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.883 111.1 49.4 -65.0 -41.4 -39.0 7.4 -4.0 63 63 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 110.0 51.2 -64.5 -42.4 -35.5 7.5 -2.5 64 64 A L H X>S+ 0 0 32 -4,-2.4 4,-1.5 2,-0.2 5,-0.6 0.928 112.3 46.7 -57.8 -49.6 -36.1 4.3 -0.5 65 65 A D H <5S+ 0 0 102 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.935 114.2 46.0 -58.3 -51.9 -37.3 2.6 -3.7 66 66 A L H <5S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 107.1 57.8 -64.7 -36.0 -34.4 3.7 -5.8 67 67 A A H ><5S- 0 0 2 -4,-2.5 3,-2.3 -5,-0.2 -1,-0.2 0.861 87.2-167.2 -60.6 -36.7 -31.9 2.8 -3.0 68 68 A D T 3<5 - 0 0 126 -4,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.867 66.6 -56.0 52.2 45.3 -33.4 -0.7 -3.3 69 69 A G T 3 S- 0 0 8 1,-0.1 4,-2.4 482,-0.1 5,-0.2 -0.986 77.7-144.6-114.7 130.8 -44.8 22.2 16.1 82 82 A T H > S+ 0 0 5 480,-0.9 4,-2.3 -2,-0.4 5,-0.2 0.896 100.6 51.0 -61.9 -44.3 -44.7 18.9 18.1 83 83 A A H > S+ 0 0 78 479,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.875 111.9 49.2 -57.9 -40.2 -48.0 17.6 16.7 84 84 A E H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.884 109.5 50.7 -67.9 -42.4 -46.7 18.3 13.2 85 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.871 111.6 49.1 -62.2 -38.8 -43.4 16.5 13.9 86 86 A I H X S+ 0 0 23 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.945 111.0 49.3 -64.8 -49.4 -45.3 13.5 15.2 87 87 A S H X S+ 0 0 56 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.924 112.6 46.8 -56.2 -49.4 -47.6 13.4 12.2 88 88 A L H < S+ 0 0 1 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.904 112.0 51.3 -61.4 -42.5 -44.7 13.6 9.7 89 89 A T H >< S+ 0 0 0 -4,-2.0 3,-1.5 -12,-0.2 4,-0.4 0.897 103.7 58.4 -60.2 -42.7 -42.8 10.9 11.6 90 90 A Q H >< S+ 0 0 93 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.797 92.9 68.1 -61.7 -29.3 -45.9 8.6 11.5 91 91 A R T 3< S+ 0 0 104 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.765 104.9 42.5 -57.2 -29.6 -45.9 8.7 7.7 92 92 A F T X S+ 0 0 0 -3,-1.5 3,-1.7 -4,-0.5 4,-0.4 0.400 80.5 121.2-105.0 -0.3 -42.6 6.7 7.7 93 93 A N T < S+ 0 0 58 -3,-1.0 33,-0.0 -4,-0.4 -3,-0.0 -0.471 91.2 7.0 -59.8 132.6 -43.4 4.2 10.4 94 94 A D T 3 S+ 0 0 116 -2,-0.1 -1,-0.3 3,-0.1 -4,-0.0 0.798 101.6 116.4 58.8 33.8 -43.1 0.8 8.7 95 95 A S S < S- 0 0 37 -3,-1.7 -2,-0.1 2,-0.2 3,-0.1 0.757 87.4-103.8 -97.7 -32.6 -41.7 2.4 5.5 96 96 A G S S+ 0 0 55 1,-0.5 -23,-0.3 -4,-0.4 2,-0.1 0.210 76.1 131.1 117.9 -13.5 -38.2 1.0 5.3 97 97 A I - 0 0 9 -5,-0.4 -1,-0.5 1,-0.1 -23,-0.2 -0.439 52.7-143.6 -67.3 149.9 -36.3 4.0 6.6 98 98 A V - 0 0 37 -25,-2.2 2,-0.3 1,-0.2 -24,-0.2 0.627 68.7 -23.1 -92.0 -15.7 -33.7 3.1 9.3 99 99 A G E -d 74 0A 0 -26,-0.7 -24,-2.0 29,-0.2 2,-0.4 -0.982 61.5-101.6-176.8 178.5 -34.2 6.4 11.3 100 100 A C E -de 75 130A 0 29,-2.4 31,-2.8 -2,-0.3 2,-0.6 -0.932 11.2-147.6-122.6 143.7 -35.2 10.0 11.5 101 101 A L E -de 76 131A 5 -26,-2.5 -24,-2.3 -2,-0.4 -23,-0.8 -0.939 26.3-176.6-107.0 109.0 -33.3 13.3 11.5 102 102 A T E - e 0 132A 0 29,-2.3 31,-1.2 -2,-0.6 2,-0.1 -0.917 11.5-148.3-120.0 115.2 -35.3 15.8 13.6 103 103 A V E - e 0 133A 3 -2,-0.5 -24,-0.5 29,-0.2 31,-0.2 -0.397 29.7 -96.0 -78.6 150.2 -34.3 19.4 14.0 104 104 A T - 0 0 0 29,-2.1 -1,-0.1 1,-0.1 37,-0.1 -0.429 62.2 -84.4 -54.6 134.2 -34.9 21.6 17.1 105 105 A P - 0 0 0 0, 0.0 4,-0.2 0, 0.0 2,-0.2 -0.218 52.1-144.8 -44.1 127.7 -38.0 23.7 16.5 106 106 A Y + 0 0 28 1,-0.1 2,-1.6 2,-0.1 34,-0.2 -0.615 66.7 11.7 -97.1 154.9 -37.1 26.8 14.4 107 107 A Y S S+ 0 0 10 32,-1.9 -1,-0.1 324,-0.8 326,-0.1 -0.151 114.6 66.9 78.9 -41.0 -38.6 30.3 14.7 108 108 A N S S- 0 0 19 -2,-1.6 -1,-0.2 -28,-0.1 -2,-0.1 0.494 88.4-145.6 -94.5 -4.2 -40.6 29.8 17.9 109 109 A R - 0 0 97 30,-0.4 -3,-0.1 -4,-0.2 432,-0.1 0.856 17.0-158.3 49.8 62.2 -37.5 29.4 20.1 110 110 A P - 0 0 7 0, 0.0 454,-0.1 0, 0.0 -1,-0.1 -0.248 17.6-107.6 -67.3 156.3 -38.5 26.9 22.8 111 111 A S > - 0 0 35 452,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.177 37.6 -98.2 -68.1 172.6 -36.8 26.6 26.2 112 112 A Q H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.866 130.0 51.8 -62.8 -36.6 -34.6 23.6 27.0 113 113 A E H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 108.7 51.2 -63.3 -41.9 -37.6 22.1 28.8 114 114 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.886 109.5 49.0 -62.5 -42.0 -39.6 22.7 25.6 115 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.913 111.4 50.7 -61.8 -44.3 -37.0 21.0 23.5 116 116 A Y H X S+ 0 0 33 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.946 113.3 43.9 -57.2 -51.4 -37.0 18.0 25.9 117 117 A Q H X S+ 0 0 56 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.868 113.0 54.1 -63.9 -37.3 -40.8 17.7 25.8 118 118 A H H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.952 114.9 36.7 -59.4 -55.2 -40.8 18.1 22.0 119 119 A F H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.856 114.8 55.4 -72.4 -36.5 -38.3 15.3 21.3 120 120 A K H X S+ 0 0 59 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.932 109.2 47.5 -59.9 -47.0 -39.6 13.0 24.0 121 121 A A H X S+ 0 0 16 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.912 112.4 49.7 -61.0 -44.0 -43.2 13.2 22.6 122 122 A I H >< S+ 0 0 1 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.941 110.8 49.0 -59.8 -50.0 -41.9 12.5 19.1 123 123 A A H >< S+ 0 0 2 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.818 105.4 59.3 -60.1 -34.0 -39.8 9.5 20.2 124 124 A E H 3< S+ 0 0 128 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.642 102.5 53.6 -70.5 -16.6 -42.8 8.1 22.2 125 125 A H T << S+ 0 0 89 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.233 110.5 46.7-102.8 11.7 -44.9 7.9 18.9 126 126 A T < - 0 0 10 -3,-1.2 30,-0.1 2,-0.1 4,-0.1 -0.984 56.1-151.3-147.9 155.6 -42.4 5.9 16.9 127 127 A D S S+ 0 0 161 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53.5 167.5 81.4 17.1 -57.7 52.7 22.4 329 36 B T < - 0 0 11 -5,-1.7 -1,-0.2 -6,-0.2 -30,-0.2 -0.441 31.9-142.6 -62.5 135.2 -55.6 50.1 20.6 330 37 B S - 0 0 23 -32,-2.5 2,-0.3 1,-0.2 -31,-0.2 0.875 69.0 -20.0 -72.2 -41.6 -55.1 51.0 16.9 331 38 B A E -k 299 0C 0 -33,-0.8 -31,-2.2 33,-0.1 2,-0.5 -0.979 58.4-117.5-160.5 166.9 -55.3 47.5 15.5 332 39 B I E -kl 300 366C 0 33,-2.5 35,-3.4 -2,-0.3 2,-0.7 -0.960 13.0-149.7-115.0 126.2 -55.0 43.8 16.2 333 40 B V E -kl 301 367C 0 -33,-3.6 -31,-1.6 -2,-0.5 2,-0.5 -0.880 23.2-154.2 -90.3 116.0 -52.4 41.5 14.6 334 41 B S E - l 0 368C 0 33,-3.3 35,-2.8 -2,-0.7 19,-0.1 -0.815 66.3 -3.1 -99.9 126.2 -54.1 38.1 14.5 335 42 B V S S+ 0 0 1 -2,-0.5 -1,-0.2 -33,-0.4 2,-0.1 0.917 88.8 141.9 57.3 49.4 -52.0 35.0 14.5 336 43 B G S > >S- 0 0 7 -3,-0.5 5,-1.5 -34,-0.4 3,-0.6 -0.159 76.4 -67.1 -86.7-161.0 -48.6 36.6 14.4 337 44 B T G > 5S+ 0 0 18 1,-0.3 3,-1.5 2,-0.2 5,-0.2 0.907 139.8 49.5 -57.6 -45.6 -45.7 35.2 16.4 338 45 B T G 3 5S+ 0 0 3 1,-0.3 -34,-0.5 2,-0.1 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50.9 -51.1 47.3 29.2 504 211 B A H > + 0 0 0 -4,-0.3 4,-2.3 1,-0.2 5,-0.1 0.861 69.0 46.3 -61.4 -44.8 -53.3 48.5 26.3 505 212 B R H > S+ 0 0 165 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.948 114.0 46.9 -66.8 -50.3 -54.3 51.9 27.5 506 213 B D H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.862 113.4 49.8 -57.6 -39.1 -50.8 53.0 28.6 507 214 B M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.907 110.1 50.0 -68.3 -44.1 -49.4 51.8 25.3 508 215 B A H X S+ 0 0 18 -4,-2.3 4,-1.9 -181,-0.3 -2,-0.2 0.935 114.9 44.2 -56.1 -49.7 -52.0 53.7 23.3 509 216 B Q H X S+ 0 0 89 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.934 112.7 51.3 -62.9 -47.4 -51.3 56.9 25.3 510 217 B M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.915 111.6 47.4 -55.9 -46.8 -47.5 56.5 25.1 511 218 B C H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.843 111.5 50.6 -65.6 -36.5 -47.7 56.0 21.3 512 219 B K H X S+ 0 0 119 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.922 110.6 48.8 -67.0 -46.2 -50.0 59.0 20.9 513 220 B L H <>S+ 0 0 21 -4,-2.7 5,-3.0 2,-0.2 4,-0.4 0.899 110.9 51.4 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95.8 60.5 -71.0 -28.0 -41.1 58.1 28.6 524 231 B V H X S+ 0 0 76 -4,-1.1 4,-1.3 -3,-0.3 -1,-0.2 0.921 109.7 43.9 -61.6 -43.6 -42.6 58.3 32.0 525 232 B I H X S+ 0 0 14 -4,-1.1 4,-1.7 1,-0.2 3,-0.4 0.940 111.0 54.6 -63.8 -46.7 -45.2 55.7 30.9 526 233 B N H X S+ 0 0 9 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.849 103.7 56.2 -56.4 -37.0 -42.4 53.7 29.2 527 234 B Q H < S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.889 107.5 47.5 -64.0 -41.7 -40.4 53.6 32.5 528 235 B R H < S+ 0 0 95 -4,-1.3 4,-0.3 -3,-0.4 -1,-0.2 0.823 117.9 43.6 -63.6 -34.5 -43.4 52.0 34.3 529 236 B L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 3,-0.3 0.606 89.1 90.8 -86.0 -15.7 -43.8 49.5 31.4 530 237 B M H X S+ 0 0 51 -4,-1.3 4,-2.1 1,-0.2 5,-0.2 0.856 82.4 53.1 -59.3 -45.5 -40.1 48.7 31.0 531 238 B P H > S+ 0 0 35 0, 0.0 4,-3.6 0, 0.0 -1,-0.2 0.936 113.6 45.9 -51.6 -46.4 -39.9 45.7 33.4 532 239 B L H > S+ 0 0 0 46,-0.4 4,-2.0 -3,-0.3 -2,-0.2 0.906 107.1 57.9 -60.1 -45.2 -42.9 44.2 31.4 533 240 B H H < S+ 0 0 2 -4,-2.5 -51,-0.4 -7,-0.2 -1,-0.2 0.879 119.8 30.5 -52.7 -41.4 -41.1 45.1 28.1 534 241 B N H >< S+ 0 0 85 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.925 119.6 49.7 -83.0 -50.6 -38.2 42.9 29.2 535 242 B K H >< S+ 0 0 90 -4,-3.6 3,-1.6 1,-0.3 4,-0.3 0.603 90.5 76.4 -76.8 -11.5 -39.8 40.3 31.5 536 243 B L T 3< S+ 0 0 0 -4,-2.0 9,-0.4 1,-0.3 -1,-0.3 0.545 103.4 44.4 -71.3 -3.7 -42.5 39.3 29.0 537 244 B F T < S+ 0 0 90 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.093 76.7 108.6-119.7 20.7 -39.5 37.5 27.3 538 245 B V S < S+ 0 0 64 -3,-1.6 -2,-0.1 2,-0.1 -3,-0.1 0.870 97.1 18.9 -65.2 -35.5 -38.1 36.0 30.5 539 246 B E S S- 0 0 30 -4,-0.3 28,-0.1 32,-0.1 -1,-0.0 -0.863 122.6 -60.7-123.4 162.3 -39.4 32.7 29.1 540 247 B P S > S- 0 0 27 0, 0.0 3,-2.9 0, 0.0 -2,-0.1 -0.131 75.2 -79.0 -52.0 130.5 -40.2 32.2 25.4 541 248 B N T 3 S+ 0 0 20 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 -0.483 114.5 24.1 -63.5 135.7 -43.0 34.4 24.0 542 249 B P T 3> S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 -0.840 103.6 82.7 -99.2 32.9 -45.9 34.0 24.4 543 250 B I H <> S+ 0 0 4 -3,-2.9 4,-1.8 1,-0.2 24,-0.2 0.967 99.1 39.5 -57.9 -56.9 -45.5 32.0 27.7 544 251 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.892 116.3 49.6 -59.7 -43.1 -45.1 35.0 30.0 545 252 B V H > S+ 0 0 0 -9,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.844 109.6 51.0 -70.8 -34.4 -47.8 37.2 28.3 546 253 B K H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.887 111.0 49.2 -65.6 -40.3 -50.4 34.4 28.3 547 254 B W H X S+ 0 0 19 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.927 110.7 50.6 -62.2 -44.9 -49.8 33.8 32.0 548 255 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.882 108.6 52.1 -59.1 -41.8 -50.1 37.6 32.6 549 256 B C H X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 6,-1.0 0.878 111.0 47.5 -62.3 -40.2 -53.4 37.6 30.7 550 257 B K H ><5S+ 0 0 70 -4,-2.0 3,-1.1 4,-0.2 -2,-0.2 0.939 110.1 52.2 -65.2 -46.7 -54.7 34.8 32.9 551 258 B E H 3<5S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.834 110.3 48.3 -59.5 -35.8 -53.6 36.5 36.1 552 259 B L H 3<5S- 0 0 50 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.594 116.4-115.7 -79.2 -13.6 -55.4 39.7 35.1 553 260 B G T <<5S+ 0 0 46 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.637 81.7 123.2 85.9 16.9 -58.6 37.7 34.3 554 261 B L S - 0 0 47 -2,-0.2 3,-2.1 4,-0.1 -218,-0.1 -0.860 54.7 -64.5-102.4 143.6 -49.2 24.2 22.4 562 269 B L T 3 S+ 0 0 69 -2,-0.4 -480,-0.9 1,-0.3 -479,-0.4 -0.340 118.5 42.7 -58.9 145.1 -45.9 22.3 22.4 563 270 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.962 107.9 77.5 -85.5 13.2 -43.1 23.0 22.1 564 271 B M S < S- 0 0 9 -3,-2.1 -4,-0.1 -454,-0.1 -455,-0.0 -0.660 70.2-164.9 -72.8 138.0 -44.2 25.9 24.3 565 272 B T - 0 0 12 -2,-0.3 3,-0.1 1,-0.1 -451,-0.1 -0.823 28.3 -75.5-122.8 162.6 -44.4 24.7 27.9 566 273 B P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.101 57.6 -91.7 -56.9 154.0 -46.0 26.2 31.1 567 274 B I - 0 0 21 -24,-0.2 2,-0.1 -9,-0.1 -9,-0.0 -0.337 41.4-118.8 -64.8 144.7 -44.4 29.1 32.9 568 275 B T > - 0 0 71 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.427 23.2-111.3 -77.0 162.1 -42.0 28.3 35.7 569 276 B D H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.880 121.8 53.2 -58.9 -42.3 -42.6 29.4 39.3 570 277 B S H > 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