==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-JAN-11 3QBP . COMPND 2 MOLECULE: FUMARASE FUM; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1762 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1292 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 3.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 38 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 912 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 55 3.1 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 8 2 0 8 4 4 0 0 0 5 1 4 1 4 4 5 4 0 0 0 0 8 4 3 1 0 0 RESIDUES PER ALPHA HELIX . 6 4 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 PARALLEL BRIDGES PER LADDER . 6 4 0 0 1 3 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 . 8 4 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 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 26 A R 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.7 -37.0 23.4 -8.5 2 27 A V - 0 0 63 4,-0.0 8,-0.1 1,-0.0 4,-0.0 -0.983 360.0 -98.9-131.1 135.1 -38.9 20.3 -7.1 3 28 A P > - 0 0 70 0, 0.0 3,-0.8 0, 0.0 -1,-0.0 -0.059 35.6-118.5 -46.0 153.7 -42.5 19.1 -7.6 4 29 A A T 3 S+ 0 0 111 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.902 108.8 43.7 -71.9 -46.5 -44.9 19.9 -4.7 5 30 A K T 3 S+ 0 0 90 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.359 91.4 117.3 -78.5 4.1 -46.0 16.5 -3.5 6 31 A A < - 0 0 19 -3,-0.8 68,-0.1 1,-0.1 -4,-0.0 -0.592 46.5-169.5 -83.9 131.1 -42.4 15.2 -3.7 7 32 A L + 0 0 38 -2,-0.3 91,-0.4 64,-0.1 -1,-0.1 0.584 64.7 90.9 -93.1 -12.8 -40.5 14.1 -0.6 8 33 A W - 0 0 30 1,-0.1 2,-0.1 90,-0.1 83,-0.1 -0.295 64.0-154.9 -72.2 170.3 -37.1 13.9 -2.4 9 34 A R > - 0 0 93 82,-0.0 4,-2.1 -2,-0.0 3,-0.2 -0.348 39.1 -48.4-130.2-154.1 -34.9 17.0 -2.4 10 35 A A H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.844 125.1 50.9 -58.4 -46.6 -32.1 18.8 -4.4 11 36 A Q H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 113.7 46.6 -62.7 -40.3 -29.6 15.9 -4.9 12 37 A T H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 109.6 52.4 -67.5 -43.4 -32.4 13.7 -6.3 13 38 A Q H X S+ 0 0 27 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 109.0 51.4 -60.5 -38.8 -33.8 16.4 -8.6 14 39 A R H X S+ 0 0 35 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.902 109.4 50.0 -61.4 -43.4 -30.3 16.8 -10.0 15 40 A A H X S+ 0 0 5 -4,-1.9 4,-2.0 2,-0.2 63,-0.3 0.876 107.5 54.5 -62.0 -36.3 -30.1 13.1 -10.6 16 41 A V H < S+ 0 0 46 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 112.9 42.8 -62.7 -43.1 -33.5 13.2 -12.4 17 42 A E H < S+ 0 0 106 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.836 114.6 51.7 -71.7 -31.9 -32.1 15.9 -14.7 18 43 A N H < S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.790 112.4 39.3 -77.8 -33.6 -28.7 14.1 -15.2 19 44 A F < + 0 0 7 -4,-2.0 2,-2.1 -5,-0.1 3,-0.4 -0.349 56.4 152.3-119.3 55.7 -29.9 10.6 -16.3 20 45 A P + 0 0 63 0, 0.0 1663,-0.1 0, 0.0 -4,-0.1 -0.481 40.3 117.5 -78.6 80.0 -33.0 10.8 -18.6 21 46 A I S S+ 0 0 1 -2,-2.1 1658,-0.2 3,-0.1 1659,-0.1 0.861 80.5 4.6-113.6 -58.8 -32.0 7.5 -20.2 22 47 A S S S- 0 0 25 -3,-0.4 3,-0.1 2,-0.2 1654,-0.1 0.650 80.5-131.8-106.4 -22.9 -34.6 4.8 -19.8 23 48 A G S S+ 0 0 74 -4,-0.3 2,-0.4 1,-0.3 54,-0.0 0.602 72.5 111.8 77.3 10.3 -37.4 6.6 -17.9 24 49 A R - 0 0 109 3,-0.0 55,-2.5 0, 0.0 56,-0.3 -0.965 46.3-169.7-121.1 135.3 -37.6 3.8 -15.4 25 50 A G - 0 0 18 -2,-0.4 53,-0.2 53,-0.3 54,-0.1 -0.296 44.2 -44.9-102.7-167.8 -36.6 3.9 -11.7 26 51 A L - 0 0 16 51,-0.5 -1,-0.3 49,-0.3 49,-0.1 -0.204 59.5-115.5 -57.9 149.3 -36.2 1.3 -9.0 27 52 A E >> - 0 0 90 -3,-0.1 4,-2.1 1,-0.1 3,-0.7 -0.391 32.3 -98.9 -79.5 163.8 -38.7 -1.5 -8.6 28 53 A R H 3> S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 122.3 53.4 -48.7 -45.8 -40.9 -1.9 -5.5 29 54 A A H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 109.1 48.9 -64.4 -34.8 -38.6 -4.6 -4.0 30 55 A Q H <> S+ 0 0 7 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.907 111.9 47.5 -71.1 -45.3 -35.5 -2.4 -4.3 31 56 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 112.0 52.4 -58.2 -44.9 -37.2 0.6 -2.7 32 57 A R H X S+ 0 0 78 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.924 108.0 49.7 -58.7 -46.7 -38.4 -1.7 0.1 33 58 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.888 108.6 53.3 -63.8 -38.3 -34.9 -3.1 0.7 34 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.913 109.9 47.8 -59.7 -43.5 -33.5 0.5 0.9 35 60 A G H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.944 111.6 50.3 -62.6 -45.3 -36.1 1.4 3.6 36 61 A L H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 111.5 48.8 -57.3 -47.2 -35.3 -1.8 5.5 37 62 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.921 110.5 49.1 -59.3 -47.5 -31.6 -1.0 5.4 38 63 A K H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.891 110.9 51.1 -64.1 -36.6 -32.0 2.6 6.6 39 64 A G H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.933 110.8 48.4 -64.0 -43.9 -34.3 1.5 9.5 40 65 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.911 110.6 51.0 -64.8 -40.9 -31.7 -1.0 10.6 41 66 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.916 111.2 47.7 -62.1 -43.9 -28.8 1.5 10.5 42 67 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.876 110.2 53.1 -66.1 -39.4 -30.8 4.0 12.5 43 68 A Q H X S+ 0 0 51 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.954 112.7 43.5 -59.5 -48.6 -31.7 1.3 15.1 44 69 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 6,-0.2 0.913 112.4 52.0 -66.1 -43.0 -28.0 0.3 15.5 45 70 A N H <>S+ 0 0 1 -4,-2.7 5,-2.4 1,-0.2 6,-1.2 0.876 112.6 46.7 -61.9 -37.1 -26.8 4.0 15.6 46 71 A M H ><5S+ 0 0 33 -4,-2.2 3,-1.8 4,-0.2 -2,-0.2 0.944 110.2 52.8 -67.7 -47.2 -29.4 4.6 18.4 47 72 A D H 3<5S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.829 109.8 49.3 -53.7 -37.0 -28.3 1.4 20.2 48 73 A L T 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.462 115.7-115.7 -85.3 -2.6 -24.7 2.6 20.1 49 74 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.628 86.4 113.9 77.3 15.3 -25.6 6.0 21.5 50 75 A L S - 0 0 58 -2,-0.5 4,-2.8 1,-0.1 3,-0.4 -0.215 27.5-121.3 -54.9 136.9 -30.3 10.8 19.5 53 78 A P H > S+ 0 0 87 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.846 110.0 55.4 -54.2 -36.0 -33.4 8.6 20.1 54 79 A E H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.939 113.9 41.0 -62.8 -44.8 -35.9 11.3 18.9 55 80 A K H > S+ 0 0 69 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.933 116.0 49.6 -65.2 -47.5 -34.0 11.5 15.5 56 81 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.906 110.4 49.3 -62.8 -42.2 -33.5 7.7 15.2 57 82 A E H X S+ 0 0 96 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.878 110.6 50.5 -66.9 -36.9 -37.2 6.9 16.0 58 83 A A H X S+ 0 0 17 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.918 113.7 46.0 -63.3 -43.6 -38.4 9.4 13.4 59 84 A I H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.931 112.0 51.1 -62.7 -47.4 -35.9 7.8 10.8 60 85 A I H X S+ 0 0 31 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.916 111.6 47.6 -56.7 -44.8 -37.1 4.3 11.9 61 86 A A H X S+ 0 0 55 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.933 113.9 46.7 -64.1 -45.7 -40.8 5.3 11.4 62 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 111.4 51.1 -58.0 -48.6 -40.1 6.9 8.0 63 88 A A H X S+ 0 0 2 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.877 106.6 55.4 -59.3 -41.0 -38.0 3.9 6.8 64 89 A A H X S+ 0 0 55 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.893 104.9 52.2 -60.9 -39.7 -40.8 1.5 7.8 65 90 A E H <>S+ 0 0 51 -4,-1.6 5,-2.5 2,-0.2 6,-0.3 0.937 112.4 46.6 -60.3 -44.0 -43.3 3.5 5.6 66 91 A I H ><5S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 5,-0.3 0.939 111.8 49.5 -62.9 -46.0 -40.9 3.1 2.7 67 92 A A H 3<5S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.6 57.0 -62.2 -28.6 -40.4 -0.7 3.5 68 93 A D T 3<5S- 0 0 114 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.381 119.9-108.9 -84.3 0.8 -44.2 -1.0 3.6 69 94 A G T X 5S+ 0 0 37 -3,-1.7 3,-0.6 -4,-0.2 -3,-0.2 0.697 78.9 130.7 79.8 22.1 -44.6 0.4 0.0 70 95 A Q T 3 + 0 0 22 -6,-0.3 3,-2.0 -5,-0.3 -1,-0.2 -0.073 64.7 133.3-143.4 36.5 -43.8 5.9 -1.1 72 97 A D T < S+ 0 0 66 -3,-0.6 3,-0.3 1,-0.3 -2,-0.1 0.492 75.4 62.8 -70.6 -2.5 -43.0 3.9 -4.3 73 98 A D T 3 S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.331 87.3 72.2 -97.6 3.0 -43.7 7.2 -6.1 74 99 A Q S < S+ 0 0 13 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.216 78.0 80.1-104.6 15.3 -40.9 9.0 -4.4 75 100 A F + 0 0 11 -3,-0.3 -49,-0.3 1,-0.1 -1,-0.2 -0.691 45.0 152.0-126.4 74.0 -38.0 7.3 -6.3 76 101 A P + 0 0 49 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.514 30.2 119.0 -87.3 -8.0 -37.8 9.0 -9.7 77 102 A I - 0 0 1 1,-0.1 -51,-0.5 10,-0.1 -61,-0.1 -0.383 68.6-109.8 -66.9 133.2 -34.0 8.4 -10.4 78 103 A D - 0 0 9 -63,-0.3 -53,-0.3 -59,-0.2 -1,-0.1 -0.235 14.9-124.1 -54.3 145.9 -33.2 6.3 -13.6 79 104 A V S S+ 0 0 6 -55,-2.5 2,-2.0 1,-0.2 -1,-0.1 0.899 107.4 71.1 -50.4 -41.7 -31.8 2.8 -13.3 80 105 A F S S+ 0 0 0 -56,-0.3 -1,-0.2 -61,-0.2 2,-0.2 -0.491 77.5 120.8 -85.4 77.4 -29.0 4.1 -15.5 81 106 A Q S S- 0 0 0 -2,-2.0 258,-0.1 1,-0.3 1555,-0.1 -0.513 74.6 -34.2-123.5-176.6 -27.4 6.3 -12.8 82 107 A T > - 0 0 10 -2,-0.2 3,-2.3 1,-0.2 -1,-0.3 -0.245 66.3-121.8 -45.1 133.4 -24.0 6.5 -11.2 83 108 A G T 3 S+ 0 0 0 1,-0.3 254,-1.9 252,-0.2 -1,-0.2 0.521 108.0 60.8 -72.4 -7.8 -22.8 2.8 -11.0 84 109 A S T 3 S- 0 0 0 251,-0.2 -1,-0.3 252,-0.1 39,-0.2 0.593 107.7-123.4 -80.8 -15.5 -22.4 2.7 -7.2 85 110 A G <> + 0 0 0 -3,-2.3 4,-1.9 250,-0.1 3,-0.3 0.664 65.1 143.8 73.5 18.1 -26.1 3.6 -6.8 86 111 A T H > + 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.847 64.5 58.7 -52.9 -41.0 -25.2 6.6 -4.8 87 112 A S H > S+ 0 0 18 -5,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 107.6 44.7 -62.4 -42.0 -28.0 8.7 -6.3 88 113 A S H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.831 110.7 55.3 -70.1 -33.5 -30.7 6.2 -5.1 89 114 A N H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.951 111.3 43.9 -59.8 -48.3 -29.0 6.0 -1.7 90 115 A M H X S+ 0 0 63 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.859 109.0 57.8 -65.7 -34.9 -29.3 9.9 -1.5 91 116 A N H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.920 108.5 47.0 -58.3 -46.7 -32.9 9.6 -2.8 92 117 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.925 112.1 49.4 -60.8 -46.0 -33.7 7.4 0.2 93 118 A N H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.900 113.4 47.0 -62.0 -42.3 -31.9 9.7 2.7 94 119 A E H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.887 111.5 48.9 -66.9 -43.1 -33.8 12.7 1.4 95 120 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.921 112.9 49.2 -65.9 -41.8 -37.3 11.1 1.4 96 121 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.927 109.9 50.6 -60.3 -44.9 -36.7 9.9 4.9 97 122 A A H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 10,-0.3 0.913 110.8 49.9 -62.3 -39.6 -35.6 13.4 6.1 98 123 A S H X S+ 0 0 21 -4,-2.3 4,-2.3 -91,-0.4 -1,-0.2 0.894 111.1 48.6 -64.8 -40.2 -38.8 14.9 4.5 99 124 A I H X S+ 0 0 9 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.938 111.6 49.1 -65.8 -46.2 -41.0 12.3 6.2 100 125 A A H ><>S+ 0 0 1 -4,-2.7 5,-2.1 1,-0.2 3,-0.6 0.944 112.0 49.6 -57.0 -47.8 -39.3 13.0 9.6 101 126 A G H ><5S+ 0 0 38 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.874 106.1 54.7 -60.0 -40.1 -39.8 16.7 9.0 102 127 A A H 3<5S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.805 108.7 51.6 -62.6 -28.8 -43.5 16.3 8.1 103 128 A N T <<5S- 0 0 112 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.006 128.5-100.1 -97.3 25.8 -43.7 14.5 11.5 104 129 A G T < 5S+ 0 0 66 -3,-1.9 2,-0.5 1,-0.1 -3,-0.2 0.634 86.2 113.4 75.7 19.2 -42.0 17.4 13.3 105 130 A V < - 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0 0 1 -3,-1.3 3,-2.0 -4,-0.2 4,-0.1 -0.546 64.4-142.7 -83.3 132.3 -58.7 -29.6 -42.3 829 411 B P G > S+ 0 0 16 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.755 98.8 77.9 -52.9 -21.9 -61.4 -27.5 -40.6 830 412 B S G 3 S+ 0 0 18 1,-0.2 3,-0.4 -216,-0.1 -215,-0.1 0.710 89.4 54.0 -59.2 -22.8 -59.2 -24.5 -41.8 831 413 B I G < S+ 0 0 2 -3,-2.0 -1,-0.2 1,-0.2 4,-0.1 0.357 81.0 87.4 -98.9 5.9 -60.6 -24.9 -45.3 832 414 B V X + 0 0 4 -3,-1.5 3,-2.0 1,-0.2 4,-0.4 0.684 64.8 85.8 -80.0 -15.5 -64.4 -24.7 -44.6 833 415 B T G > S+ 0 0 75 -3,-0.4 3,-2.2 1,-0.3 4,-0.4 0.884 81.6 59.1 -53.1 -46.4 -64.6 -20.9 -44.8 834 416 B P G 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.569 98.1 62.5 -64.3 -5.2 -65.1 -20.8 -48.6 835 417 B L G X> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.1 3,-2.0 0.645 80.2 87.7 -84.8 -19.2 -68.2 -22.9 -48.1 836 418 B N H <> S+ 0 0 59 -3,-2.2 4,-2.6 -4,-0.4 -1,-0.1 0.876 83.2 52.2 -49.4 -47.5 -69.9 -20.1 -46.1 837 419 B S H 34 S+ 0 0 102 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.498 117.9 38.6 -77.1 -2.4 -71.4 -18.3 -49.0 838 420 B A H <4 S+ 0 0 29 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.725 136.1 11.4-104.1 -39.4 -73.0 -21.5 -50.4 839 421 B I H < S- 0 0 28 -4,-2.5 4,-0.4 1,-0.1 -3,-0.2 0.458 105.6-105.7-123.1 -5.3 -74.2 -23.3 -47.2 840 422 B G X - 0 0 32 -4,-2.6 4,-2.3 -5,-0.5 5,-0.2 0.284 31.2 -89.8 85.9 149.4 -73.8 -20.8 -44.3 841 423 B Y H > S+ 0 0 161 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.818 123.1 56.3 -66.3 -30.8 -71.3 -20.7 -41.5 842 424 B E H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 110.6 42.9 -66.2 -44.7 -73.3 -22.9 -39.2 843 425 B E H > S+ 0 0 48 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.915 112.3 54.8 -65.7 -40.2 -73.5 -25.8 -41.7 844 426 B A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.889 107.9 50.1 -56.6 -41.6 -69.8 -25.2 -42.6 845 427 B A H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.886 109.8 49.3 -64.9 -42.7 -69.0 -25.6 -38.8 846 428 B A H X S+ 0 0 30 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.835 109.1 53.9 -62.8 -36.7 -71.0 -28.9 -38.6 847 429 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.928 107.7 50.2 -62.7 -46.8 -69.2 -30.1 -41.7 848 430 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 112.0 47.3 -56.6 -48.8 -65.8 -29.4 -40.0 849 431 B K H X S+ 0 0 117 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 113.8 46.5 -61.2 -44.9 -66.9 -31.3 -36.8 850 432 B Q H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.874 108.8 55.6 -66.2 -39.4 -68.2 -34.3 -38.8 851 433 B A H <>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 4,-0.4 0.929 111.3 44.1 -58.2 -47.0 -65.1 -34.4 -40.9 852 434 B L H ><5S+ 0 0 54 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.918 113.1 51.5 -63.2 -44.3 -62.9 -34.7 -37.8 853 435 B K H 3<5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.899 119.4 33.6 -63.8 -43.6 -65.1 -37.3 -36.1 854 436 B E T 3<5S- 0 0 105 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.320 107.0-124.4 -96.7 8.5 -65.2 -39.6 -39.1 855 437 B R T < 5 + 0 0 92 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.2 0.920 64.6 134.0 46.9 56.1 -61.7 -38.8 -40.1 856 438 B K < - 0 0 74 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.808 60.7 -85.5-124.4 167.6 -62.7 -37.8 -43.7 857 439 B T > - 0 0 33 -2,-0.3 4,-2.1 1,-0.1 -30,-0.3 -0.298 34.9-119.2 -64.9 156.1 -62.1 -35.0 -46.1 858 440 B I H > S+ 0 0 0 -32,-2.7 4,-2.1 1,-0.2 5,-0.2 0.928 116.8 55.1 -60.7 -42.7 -64.2 -31.8 -46.0 859 441 B R H > S+ 0 0 81 -33,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.921 108.3 45.6 -55.2 -51.5 -65.3 -32.6 -49.5 860 442 B Q H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.887 111.3 53.6 -64.0 -38.9 -66.5 -36.1 -48.6 861 443 B T H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.867 106.5 51.3 -61.9 -39.1 -68.3 -34.8 -45.5 862 444 B V H <>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 6,-0.3 0.917 113.5 45.6 -65.6 -42.4 -70.2 -32.2 -47.6 863 445 B I H ><5S+ 0 0 53 -4,-2.0 3,-1.9 1,-0.2 5,-0.2 0.941 111.6 52.8 -60.7 -47.6 -71.3 -35.0 -50.0 864 446 B D H 3<5S+ 0 0 64 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.821 103.6 56.1 -61.3 -35.2 -72.2 -37.2 -47.0 865 447 B R T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.360 115.3-115.9 -83.3 5.4 -74.4 -34.6 -45.4 866 448 B G T < 5S+ 0 0 60 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.698 72.0 135.3 75.5 24.2 -76.4 -34.4 -48.7 867 449 B L X + 0 0 32 -5,-1.8 5,-1.0 2,-0.1 2,-0.5 0.663 37.6 100.3 -82.2 -16.8 -75.6 -30.8 -49.6 868 450 B I B 5S+l 872 0J 62 -6,-0.3 2,-0.3 -5,-0.2 5,-0.2 -0.599 71.2 51.7 -74.2 117.5 -74.9 -31.4 -53.3 869 451 B G T 5S+ 0 0 53 3,-1.8 -2,-0.1 -2,-0.5 -1,-0.1 -0.863 116.7 3.1 157.3-124.8 -78.0 -30.3 -55.2 870 452 B D T 5S+ 0 0 116 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.879 130.5 53.0 -64.3 -40.4 -79.8 -27.0 -54.9 871 453 B K T 5S- 0 0 53 -4,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.949 127.1 -23.1 -62.6 -51.9 -77.2 -25.6 -52.4 872 454 B L B < -l 868 0J 9 -5,-1.0 -3,-1.8 -33,-0.0 -1,-0.2 -0.985 58.0-117.8-161.9 153.2 -74.2 -26.3 -54.7 873 455 B S > - 0 0 59 -2,-0.3 4,-2.4 -5,-0.2 5,-0.1 -0.409 34.3-111.8 -83.7 163.4 -72.9 -28.5 -57.5 874 456 B L H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.903 120.3 52.5 -60.4 -41.8 -69.9 -30.9 -57.3 875 457 B E H > S+ 0 0 171 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 109.8 48.2 -60.3 -43.1 -67.9 -28.7 -59.6 876 458 B E H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.895 110.3 52.3 -64.6 -40.6 -68.6 -25.7 -57.3 877 459 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.932 109.9 48.6 -59.2 -44.7 -67.6 -27.7 -54.3 878 460 B D H < S+ 0 0 67 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.856 111.9 49.0 -67.4 -35.7 -64.3 -28.7 -55.9 879 461 B R H >< S+ 0 0 150 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.942 113.0 47.7 -62.7 -49.0 -63.6 -25.0 -56.9 880 462 B R H 3< S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.818 117.5 41.2 -64.5 -32.7 -64.4 -23.9 -53.3 881 463 B L T 3< S+ 0 0 12 -4,-2.1 2,-1.1 -5,-0.2 -1,-0.3 0.045 74.3 134.6-105.3 26.7 -62.2 -26.5 -51.7 882 464 B D <> - 0 0 68 -3,-1.3 4,-1.7 1,-0.2 -3,-0.1 -0.636 34.4-171.8 -79.6 101.3 -59.3 -26.4 -54.1 883 465 B V H > S+ 0 0 0 -2,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.833 80.6 55.3 -73.4 -31.8 -56.5 -26.3 -51.5 884 466 B L H >> S+ 0 0 49 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.934 107.9 50.8 -60.0 -45.6 -53.7 -25.6 -54.0 885 467 B A H >4 S+ 0 0 57 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.890 104.0 58.2 -58.5 -39.0 -55.6 -22.5 -55.1 886 468 B M H 3< S+ 0 0 16 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 96.4 62.6 -64.3 -26.0 -56.0 -21.5 -51.4 887 469 B A H << S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.8 -269,-0.2 0.671 96.9-147.2 -71.2 -16.9 -52.1 -21.4 -51.2 888 470 B K << - 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