==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME-BINDING PROTEIN 24-MAR-10 3MAY . COMPND 2 MOLECULE: POSSIBLE EXPORTED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.W.GOULDING,N.CHIM . 743 8 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 621 83.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 11 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 502 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 0 0 0 0 1 0 3 6 8 5 2 1 0 0 0 0 6 8 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 40 A a 0 0 73 0, 0.0 2,-0.1 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 9.3 9.2 11.5 33.5 2 41 A A >> - 0 0 29 1,-0.1 4,-2.0 4,-0.0 3,-1.9 -0.432 360.0-107.7 -77.7 150.9 6.0 13.4 33.9 3 42 A A H 3> S+ 0 0 4 112,-0.4 4,-2.5 1,-0.3 5,-0.2 0.837 119.9 60.2 -49.0 -38.1 3.6 13.6 31.0 4 43 A S H 3> S+ 0 0 2 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.831 107.6 45.0 -57.3 -34.6 4.7 17.3 30.4 5 44 A E H <> S+ 0 0 77 -3,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.881 110.1 51.8 -84.6 -32.9 8.2 16.2 29.9 6 45 A V H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.979 112.7 48.3 -61.3 -47.4 7.4 13.2 27.6 7 46 A A H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 98,-0.2 0.782 109.7 51.8 -59.4 -31.7 5.4 15.6 25.5 8 47 A R H X S+ 0 0 76 -4,-0.9 4,-1.7 -5,-0.2 -1,-0.2 0.962 111.4 46.0 -75.8 -46.9 8.1 18.2 25.4 9 48 A T H >X S+ 0 0 22 -4,-2.4 4,-3.0 2,-0.2 3,-1.2 0.978 112.6 48.8 -52.3 -61.2 10.8 15.8 24.2 10 49 A V H 3X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.865 111.3 55.0 -52.4 -36.5 8.5 14.3 21.5 11 50 A G H 3X S+ 0 0 2 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.3 0.856 111.3 40.4 -63.2 -36.8 7.8 18.0 20.6 12 51 A S H < S+ 0 0 8 -4,-2.5 3,-1.2 1,-0.2 7,-0.4 0.923 108.9 57.4 -62.8 -41.9 13.0 16.7 6.2 22 61 A D H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.888 109.9 44.7 -56.2 -40.1 11.9 20.1 5.0 23 62 A S H 3< S+ 0 0 70 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.623 111.8 56.1 -81.1 -11.9 15.5 20.8 4.1 24 63 A H S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.748 77.8 56.0 -50.4 -33.5 13.1 17.1 -0.2 26 65 A E H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.995 115.2 36.8 -65.3 -59.4 14.3 13.7 -1.5 27 66 A T H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.893 116.0 55.7 -50.9 -39.7 14.1 12.1 1.9 28 67 A N H X S+ 0 0 19 -4,-3.1 4,-1.9 -7,-0.4 62,-0.5 0.895 107.9 49.9 -66.6 -34.2 11.0 14.2 2.5 29 68 A Q H X S+ 0 0 119 -4,-2.5 4,-2.6 -3,-0.3 -2,-0.2 0.912 110.8 47.8 -66.4 -45.7 9.5 12.7 -0.7 30 69 A V H X S+ 0 0 22 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.820 115.2 44.5 -67.8 -33.7 10.2 9.1 0.3 31 70 A M H X S+ 0 0 40 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.871 111.7 55.6 -78.2 -36.1 8.8 9.6 3.9 32 71 A T H X S+ 0 0 16 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.954 105.5 49.6 -57.5 -49.0 5.9 11.3 2.3 33 72 A A H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.885 107.9 56.5 -59.5 -39.0 5.1 8.4 0.0 34 73 A V H <>S+ 0 0 14 -4,-1.5 5,-2.9 1,-0.2 6,-0.3 0.908 107.3 46.8 -56.5 -46.1 5.2 6.1 3.1 35 74 A L H ><5S+ 0 0 21 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.800 112.6 50.6 -68.0 -26.1 2.6 8.2 4.9 36 75 A Q H 3<5S+ 0 0 115 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.874 110.0 49.6 -77.3 -34.3 0.3 8.2 1.8 37 76 A Q T ><5S- 0 0 97 -4,-2.2 3,-2.2 -5,-0.2 -1,-0.2 0.129 115.5-115.1 -95.7 24.5 0.6 4.5 1.4 38 77 A Q T < 5 - 0 0 56 -3,-0.8 187,-0.5 1,-0.3 -3,-0.2 0.841 65.4 -65.4 53.3 39.3 -0.3 3.9 5.0 39 78 A V T 3 - 0 0 18 -3,-2.2 4,-1.5 -6,-0.3 3,-0.9 -0.340 52.5 -85.5 -74.1 168.1 2.3 -0.5 3.5 41 80 A P H 3> S+ 0 0 116 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.707 119.4 50.4 -41.7 -49.8 4.8 -2.9 1.9 42 81 A G H 3> S+ 0 0 53 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.845 111.8 46.3 -69.8 -34.4 5.9 -1.0 -1.2 43 82 A S H <> S+ 0 0 4 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.768 105.4 59.8 -83.0 -29.2 6.8 2.2 0.5 44 83 A V H X S+ 0 0 42 -4,-1.5 4,-2.5 1,-0.2 3,-0.2 0.962 106.0 49.2 -62.4 -42.7 8.7 0.5 3.3 45 84 A A H X S+ 0 0 47 -4,-1.5 4,-2.4 1,-0.3 5,-0.2 0.850 107.0 53.5 -63.1 -40.8 11.1 -1.0 0.8 46 85 A S H X S+ 0 0 70 -4,-1.2 4,-1.5 1,-0.2 -1,-0.3 0.883 111.0 49.1 -62.0 -34.2 11.7 2.3 -1.0 47 86 A L H X S+ 0 0 32 -4,-1.5 4,-1.9 -3,-0.2 -2,-0.2 0.939 106.9 52.6 -73.8 -49.7 12.6 3.7 2.4 48 87 A K H >X S+ 0 0 105 -4,-2.5 4,-1.8 1,-0.2 3,-0.7 0.966 113.0 46.1 -47.8 -56.6 15.0 0.9 3.4 49 88 A A H 3X S+ 0 0 58 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.788 105.6 59.4 -57.3 -33.8 16.9 1.5 0.1 50 89 A H H 3X S+ 0 0 13 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.3 0.920 107.6 47.7 -66.8 -34.1 16.9 5.2 0.5 51 90 A F H X< S+ 0 0 56 -4,-1.9 3,-0.5 -3,-0.7 7,-0.3 0.867 106.8 54.1 -72.1 -40.7 18.8 4.7 3.8 52 91 A E H 3< S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.9 42.6 -58.0 -35.9 21.4 2.3 2.4 53 92 A A H 3< S+ 0 0 74 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.610 119.8 42.3 -91.7 -10.0 22.2 4.9 -0.2 54 93 A N XX + 0 0 42 -4,-0.6 4,-1.9 -3,-0.5 3,-0.5 -0.436 61.0 163.1-132.6 65.0 22.1 7.9 2.1 55 94 A P H 3> S+ 0 0 89 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.710 78.1 59.2 -61.4 -25.8 24.0 6.7 5.4 56 95 A K H 3> S+ 0 0 95 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.960 105.7 46.0 -64.5 -50.6 24.3 10.4 6.3 57 96 A V H <> S+ 0 0 11 -3,-0.5 4,-2.8 1,-0.2 5,-0.3 0.943 112.7 51.3 -58.8 -40.1 20.6 10.9 6.3 58 97 A A H X S+ 0 0 31 -4,-1.9 4,-2.6 -7,-0.3 -1,-0.2 0.924 113.9 42.6 -63.8 -44.2 20.0 7.7 8.3 59 98 A S H X S+ 0 0 45 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.896 112.8 53.6 -72.8 -35.8 22.5 8.7 11.0 60 99 A D H X S+ 0 0 2 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.921 112.2 44.3 -60.3 -45.7 21.3 12.3 11.1 61 100 A L H X S+ 0 0 18 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.933 112.3 53.2 -67.8 -40.5 17.7 11.1 11.7 62 101 A H H X S+ 0 0 117 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.936 108.0 50.4 -57.5 -47.0 18.9 8.6 14.2 63 102 A A H < S+ 0 0 13 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.890 109.7 51.4 -57.3 -38.6 20.7 11.4 16.1 64 103 A L H < S+ 0 0 31 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.862 109.5 49.8 -70.9 -28.9 17.6 13.5 16.1 65 104 A S H >X S+ 0 0 21 -4,-2.2 4,-1.8 1,-0.2 3,-0.7 0.678 85.3 93.3 -81.1 -15.6 15.6 10.7 17.5 66 105 A Q H 3X S+ 0 0 61 -4,-1.2 4,-3.5 -3,-0.4 5,-0.2 0.820 77.0 56.5 -48.5 -41.3 18.0 9.9 20.4 67 106 A P H 3> S+ 0 0 57 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.933 108.7 50.3 -62.5 -37.7 16.4 12.1 23.1 68 107 A L H <> S+ 0 0 29 -3,-0.7 4,-1.8 -4,-0.3 -2,-0.2 0.910 112.5 45.1 -60.5 -45.3 13.2 10.2 22.6 69 108 A T H < S+ 0 0 59 -4,-1.8 -1,-0.2 2,-0.2 -3,-0.2 0.893 111.9 53.5 -69.3 -35.9 15.0 6.9 22.8 70 109 A D H >X S+ 0 0 85 -4,-3.5 4,-2.6 -5,-0.2 3,-0.8 0.976 107.5 53.7 -53.7 -54.8 16.9 8.2 25.9 71 110 A L H 3X>S+ 0 0 6 -4,-3.1 2,-2.9 1,-0.3 4,-2.9 0.910 99.4 56.4 -48.7 -61.9 13.6 9.1 27.5 72 111 A S H 3<5S+ 0 0 21 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.1 -0.176 117.5 38.7 -72.7 46.4 11.9 5.7 27.2 73 112 A T H <45S+ 0 0 109 -2,-2.9 -2,-0.2 -3,-0.8 -1,-0.2 0.056 110.3 55.2-141.9 -72.7 14.8 4.2 29.2 74 113 A R H <5S+ 0 0 171 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.716 140.1 5.3 -52.9 -28.1 15.4 7.1 31.6 75 114 A a T <5S- 0 0 17 -4,-2.9 -1,-0.3 -5,-0.3 -3,-0.2 0.665 85.4-169.2-118.9 -42.1 11.7 6.5 32.5 76 115 A S < + 0 0 83 -5,-0.9 -4,-0.1 -6,-0.2 3,-0.1 0.908 29.0 143.9 48.5 70.2 10.8 3.4 30.4 77 116 A L - 0 0 47 1,-0.2 2,-0.2 2,-0.1 3,-0.1 0.858 61.8 -28.9-110.4 -49.1 6.9 3.4 30.8 78 117 A P S S- 0 0 29 0, 0.0 -1,-0.2 0, 0.0 45,-0.0 -0.676 96.0 -31.0-137.1-151.9 5.3 2.2 27.6 79 118 A I - 0 0 28 -2,-0.2 4,-0.5 1,-0.2 -2,-0.1 -0.306 51.8-122.0 -56.5 145.2 6.0 2.2 23.8 80 119 A S S S+ 0 0 56 2,-0.1 -1,-0.2 -8,-0.1 4,-0.0 0.362 105.3 67.7 -62.7 9.5 8.0 5.2 22.5 81 120 A G S > S+ 0 0 11 2,-0.1 3,-3.7 1,-0.0 -1,-0.1 0.900 87.9 32.5 -99.7 -97.6 4.7 5.3 20.6 82 121 A L G > S+ 0 0 14 1,-0.3 3,-3.9 2,-0.2 4,-0.3 0.692 100.3 80.7 -48.4 -27.5 1.0 5.9 21.6 83 122 A Q G > S+ 0 0 22 -4,-0.5 3,-0.7 1,-0.3 -1,-0.3 0.833 89.6 59.1 -46.0 -29.5 2.3 8.4 24.2 84 123 A A G < + 0 0 7 -3,-3.7 -1,-0.3 1,-0.2 -2,-0.2 0.189 62.0 108.5 -90.9 14.0 2.4 10.5 21.0 85 124 A I G < 0 0 60 -3,-3.9 -1,-0.2 87,-0.0 -2,-0.1 0.669 360.0 360.0 -56.7 -16.0 -1.3 10.1 20.3 86 125 A G < 0 0 18 -3,-0.7 15,-0.1 -4,-0.3 11,-0.0 -0.943 360.0 360.0-128.4 360.0 -0.6 13.7 21.5 87 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 88 40 B b 0 0 84 0, 0.0 2,-0.2 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 32.6 0.7 17.3 3.5 89 41 B A >> - 0 0 27 1,-0.1 4,-2.0 4,-0.0 3,-0.8 -0.475 360.0-111.3 -73.3 145.9 4.4 16.4 3.3 90 42 B A H 3> S+ 0 0 6 -62,-0.5 4,-2.8 1,-0.2 5,-0.3 0.798 118.2 58.9 -37.3 -46.1 6.1 14.4 6.1 91 43 B S H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.943 107.7 46.0 -56.2 -46.8 8.0 17.4 7.2 92 44 B E H <> S+ 0 0 75 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.870 111.9 49.9 -67.3 -34.0 4.8 19.3 7.8 93 45 B V H X S+ 0 0 12 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.967 113.9 45.8 -70.2 -43.1 3.2 16.4 9.7 94 46 B A H X S+ 0 0 18 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.887 113.2 50.5 -61.2 -37.8 6.3 16.0 11.8 95 47 B R H X S+ 0 0 68 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.937 112.8 45.5 -66.9 -41.1 6.3 19.8 12.4 96 48 B T H X S+ 0 0 26 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.867 112.1 50.3 -70.6 -37.1 2.7 19.9 13.4 97 49 B V H X S+ 0 0 18 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.904 111.4 54.6 -61.5 -30.6 3.2 16.9 15.6 98 50 B G H X S+ 0 0 1 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.909 110.3 40.4 -75.3 -39.9 6.1 18.9 17.0 99 51 B S H X S+ 0 0 66 -4,-2.2 4,-3.5 2,-0.2 -1,-0.2 0.936 114.5 50.7 -81.1 -40.3 4.3 22.0 17.9 100 52 B V H X S+ 0 0 2 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.950 112.9 45.8 -55.5 -54.9 1.1 20.4 19.3 101 53 B A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -90,-0.2 0.825 114.5 50.2 -56.0 -39.7 3.1 18.1 21.6 102 54 B K H X S+ 0 0 109 -4,-1.5 4,-2.6 -5,-0.2 5,-0.3 0.972 111.5 46.8 -61.7 -52.3 5.2 21.1 22.6 103 55 B S H X S+ 0 0 40 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.900 112.6 50.3 -64.6 -35.7 2.2 23.1 23.3 104 56 B M H X S+ 0 0 29 -4,-3.2 4,-3.3 2,-0.2 -1,-0.2 0.923 109.5 51.8 -60.0 -48.1 0.6 20.2 25.3 105 57 B G H X S+ 0 0 0 -4,-2.3 4,-2.4 -98,-0.2 -2,-0.2 0.918 110.8 46.3 -60.9 -42.9 3.8 19.8 27.3 106 58 B D H X S+ 0 0 50 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.890 112.1 51.9 -66.8 -35.7 4.0 23.4 28.3 107 59 B Y H X S+ 0 0 28 -4,-2.2 4,-0.9 -5,-0.3 3,-0.4 0.976 112.0 45.5 -61.4 -54.9 0.3 23.4 29.1 108 60 B L H < S+ 0 0 9 -4,-3.3 7,-0.4 1,-0.2 3,-0.3 0.816 107.8 58.1 -57.7 -34.1 0.9 20.3 31.4 109 61 B D H < S+ 0 0 74 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.922 110.7 41.6 -66.2 -39.2 3.9 21.9 33.0 110 62 B S H < S+ 0 0 72 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.543 111.7 59.2 -86.2 -2.8 1.9 24.9 34.1 111 63 B H >X + 0 0 64 -4,-0.9 4,-2.5 -3,-0.3 3,-0.6 -0.648 68.1 178.5-122.5 74.7 -1.1 22.8 35.2 112 64 B P H 3> S+ 0 0 94 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.757 75.4 50.9 -53.5 -35.8 0.4 20.4 37.8 113 65 B E H 3> S+ 0 0 123 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.946 114.8 44.3 -71.1 -40.5 -2.7 18.5 38.8 114 66 B T H <> S+ 0 0 6 -3,-0.6 4,-2.3 2,-0.2 5,-0.3 0.865 109.4 57.1 -68.3 -37.3 -3.5 17.8 35.1 115 67 B N H X S+ 0 0 21 -4,-2.5 4,-2.0 -7,-0.4 -112,-0.4 0.972 109.6 45.6 -54.2 -52.2 0.1 16.9 34.6 116 68 B Q H X S+ 0 0 117 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.800 109.7 54.5 -57.2 -35.3 -0.2 14.3 37.3 117 69 B V H X S+ 0 0 15 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.879 113.9 40.5 -75.4 -36.8 -3.5 13.0 35.9 118 70 B M H X S+ 0 0 42 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.742 110.7 58.6 -76.3 -28.3 -1.9 12.4 32.4 119 71 B T H >X S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.3 3,-0.7 0.994 106.0 48.9 -65.1 -56.0 1.3 11.1 34.0 120 72 B A H 3< S+ 0 0 18 -4,-2.3 6,-0.2 1,-0.2 -2,-0.2 0.844 109.2 53.0 -45.3 -45.0 -0.8 8.4 35.7 121 73 B V H ><>S+ 0 0 15 -4,-1.3 5,-2.3 1,-0.2 3,-0.6 0.866 112.5 44.7 -60.2 -41.3 -2.6 7.5 32.4 122 74 B L H X<5S+ 0 0 31 -4,-1.9 3,-1.5 -3,-0.7 -2,-0.2 0.923 111.1 51.6 -67.9 -49.2 0.8 7.0 30.7 123 75 B Q T 3<5S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.320 114.7 46.4 -70.3 5.9 2.4 5.0 33.5 124 76 B Q T X 5S- 0 0 40 -3,-0.6 3,-1.8 -5,-0.2 -1,-0.3 0.134 109.5-116.0-137.7 12.0 -0.7 2.7 33.4 125 77 B Q T < 5S- 0 0 25 -3,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.750 71.4 -63.5 64.3 23.0 -1.0 2.0 29.7 126 78 B V T 3 - 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0 0 94 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.921 360.0 -27.0 -53.3 -86.4 34.9 56.4 52.7 377 40 E e S S+ 0 0 33 74,-0.1 2,-0.1 4,-0.1 74,-0.0 -0.513 92.8 157.9-144.2 32.6 35.5 53.6 50.4 378 41 E A > - 0 0 3 -3,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.488 57.8-110.2 -68.7 147.8 31.9 52.7 50.7 379 42 E A H > S+ 0 0 9 216,-0.5 4,-3.0 1,-0.2 5,-0.2 0.800 119.2 59.4 -48.2 -37.0 30.3 50.7 47.9 380 43 E S H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.948 107.1 46.1 -60.7 -45.4 28.3 53.7 46.8 381 44 E E H > S+ 0 0 54 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.892 113.2 48.7 -65.7 -32.5 31.6 55.6 46.2 382 45 E V H X S+ 0 0 11 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.961 113.7 47.2 -71.3 -43.6 33.1 52.7 44.4 383 46 E A H X S+ 0 0 17 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.966 113.9 46.9 -60.7 -47.0 30.0 52.4 42.3 384 47 E R H X S+ 0 0 75 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.902 114.2 48.2 -60.5 -38.7 30.0 56.2 41.6 385 48 E T H X S+ 0 0 26 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.905 112.1 47.8 -70.9 -40.0 33.7 56.2 40.8 386 49 E V H X S+ 0 0 26 -4,-3.2 4,-1.6 -5,-0.2 -1,-0.2 0.847 112.9 55.3 -60.2 -27.2 33.2 53.2 38.5 387 50 E G H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.904 109.1 40.2 -83.2 -40.5 30.3 55.2 37.1 388 51 E S H X S+ 0 0 64 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.873 114.0 53.3 -78.8 -30.3 32.1 58.3 36.2 389 52 E V H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.986 112.3 43.2 -62.5 -57.8 35.2 56.7 34.8 390 53 E A H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.780 114.4 54.2 -52.6 -39.2 33.3 54.4 32.4 391 54 E K H X S+ 0 0 109 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.990 109.4 44.8 -57.5 -60.7 31.2 57.4 31.6 392 55 E S H X S+ 0 0 39 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.862 113.7 51.5 -62.9 -27.7 34.2 59.5 30.7 393 56 E M H X S+ 0 0 26 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.978 108.0 51.7 -65.2 -55.6 35.6 56.5 28.7 394 57 E G H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 112.7 45.6 -40.5 -54.6 32.3 56.1 26.7 395 58 E D H X S+ 0 0 54 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.935 112.0 50.8 -61.4 -45.7 32.4 59.8 25.8 396 59 E Y H X S+ 0 0 27 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.916 112.9 46.0 -58.1 -45.5 36.0 59.7 24.9 397 60 E L H < S+ 0 0 10 -4,-3.1 7,-0.4 1,-0.2 3,-0.3 0.841 107.2 58.0 -69.3 -33.8 35.4 56.7 22.7 398 61 E D H < S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.963 111.8 40.1 -60.5 -45.8 32.4 58.2 21.1 399 62 E S H < S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.554 112.0 60.5 -82.1 -7.3 34.4 61.3 19.9 400 63 E H X + 0 0 66 -4,-0.8 4,-2.6 -3,-0.3 3,-0.4 -0.645 68.3 176.2-117.4 73.6 37.4 59.1 19.0 401 64 E P H > S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.749 74.7 49.0 -55.2 -36.1 35.8 56.7 16.3 402 65 E E H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.943 115.4 44.8 -69.9 -42.5 39.0 54.8 15.3 403 66 E T H > S+ 0 0 6 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.857 109.3 56.6 -66.6 -38.7 39.8 54.1 18.8 404 67 E N H X S+ 0 0 18 -4,-2.6 4,-2.5 -7,-0.4 166,-0.4 0.956 108.4 48.4 -53.8 -48.0 36.2 53.2 19.5 405 68 E Q H X S+ 0 0 117 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.803 109.4 52.1 -59.1 -35.8 36.6 50.7 16.7 406 69 E V H X S+ 0 0 19 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.861 113.4 43.0 -76.9 -35.4 39.8 49.3 18.2 407 70 E M H X S+ 0 0 42 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.842 110.9 55.2 -74.2 -36.4 38.3 48.8 21.6 408 71 E T H X S+ 0 0 9 -4,-2.5 4,-2.5 -5,-0.2 3,-0.4 0.997 107.0 50.8 -58.4 -59.0 35.1 47.4 20.1 409 72 E A H < S+ 0 0 16 -4,-2.3 4,-0.2 1,-0.3 -1,-0.2 0.835 109.1 51.4 -46.3 -40.3 37.2 44.7 18.3 410 73 E V H ><>S+ 0 0 18 -4,-1.4 5,-2.3 2,-0.2 3,-1.2 0.960 113.4 45.3 -60.3 -50.1 38.9 43.8 21.6 411 74 E L H ><5S+ 0 0 31 -4,-2.5 3,-1.6 -3,-0.4 -2,-0.2 0.937 109.5 53.3 -57.9 -55.1 35.5 43.4 23.2 412 75 E Q T 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.402 116.6 41.8 -58.5 0.9 34.0 41.4 20.3 413 76 E Q T X 5S- 0 0 43 -3,-1.2 3,-0.7 -5,-0.3 -1,-0.2 0.154 107.3-114.8-138.6 13.6 37.0 39.0 20.6 414 77 E Q T < 5S- 0 0 25 -3,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.828 77.2 -58.5 57.1 31.5 37.5 38.5 24.4 415 78 E V T 3 - 0 0 0 -3,-0.7 4,-1.2 -6,-0.3 3,-0.2 -0.228 36.5-110.6 -54.1 157.9 42.4 37.8 21.6 417 80 E P H > S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.661 118.8 59.9 -70.2 -18.1 46.2 38.2 20.9 418 81 E G H > S+ 0 0 24 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.909 106.7 43.7 -71.4 -45.1 45.2 39.5 17.4 419 82 E S H > S+ 0 0 4 1,-0.2 4,-1.1 2,-0.2 -9,-0.2 0.677 112.0 53.9 -80.3 -19.1 43.1 42.4 18.8 420 83 E V H X S+ 0 0 31 -4,-1.2 4,-3.7 2,-0.2 5,-0.2 0.863 104.2 55.0 -76.2 -41.8 45.9 43.2 21.4 421 84 E A H X S+ 0 0 57 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.867 112.5 44.1 -59.7 -32.5 48.5 43.5 18.7 422 85 E S H X S+ 0 0 52 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.805 112.3 50.3 -88.3 -26.3 46.3 46.0 17.0 423 86 E L H X S+ 0 0 33 -4,-1.1 4,-2.8 2,-0.2 5,-0.2 0.948 111.3 51.2 -66.0 -44.2 45.5 47.8 20.2 424 87 E K H X S+ 0 0 124 -4,-3.7 4,-3.0 1,-0.3 -2,-0.2 0.938 111.0 46.5 -59.0 -51.2 49.3 47.9 20.8 425 88 E A H X S+ 0 0 56 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.843 111.6 53.8 -60.7 -37.6 50.0 49.4 17.4 426 89 E H H X S+ 0 0 9 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.939 110.8 42.8 -61.8 -50.6 47.2 51.8 17.9 427 90 E F H < S+ 0 0 58 -4,-2.8 3,-0.3 2,-0.2 7,-0.3 0.925 113.2 55.1 -63.6 -39.6 48.6 53.2 21.3 428 91 E E H < S+ 0 0 132 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.6 36.8 -56.2 -43.2 52.1 53.2 19.7 429 92 E A H < S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.591 124.0 43.7 -86.8 -11.2 50.9 55.4 16.8 430 93 E N >X + 0 0 49 -4,-1.3 4,-1.6 -3,-0.3 3,-0.9 -0.483 62.3 165.3-133.5 63.1 48.5 57.4 19.0 431 94 E P H 3> S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.795 72.9 61.3 -58.6 -21.3 50.4 58.2 22.2 432 95 E K H 3> S+ 0 0 137 2,-0.2 4,-4.0 1,-0.2 5,-0.2 0.916 103.7 46.0 -74.5 -38.0 47.8 60.9 23.1 433 96 E V H <> S+ 0 0 12 -3,-0.9 4,-3.6 2,-0.2 5,-0.3 0.905 110.2 54.8 -70.7 -36.6 44.8 58.6 23.3 434 97 E A H X S+ 0 0 27 -4,-1.6 4,-2.2 -7,-0.3 -2,-0.2 0.940 116.7 38.7 -56.8 -44.2 46.8 56.0 25.3 435 98 E S H X S+ 0 0 72 -4,-1.8 4,-3.5 -5,-0.2 -2,-0.2 0.937 114.0 52.5 -81.7 -42.1 47.6 58.8 27.8 436 99 E D H X S+ 0 0 40 -4,-4.0 4,-2.5 2,-0.2 -2,-0.2 0.947 113.7 45.9 -50.1 -46.4 44.2 60.4 27.6 437 100 E L H X S+ 0 0 16 -4,-3.6 4,-1.0 2,-0.2 -2,-0.2 0.923 112.9 49.6 -69.5 -37.9 42.6 56.9 28.4 438 101 E H H >X S+ 0 0 110 -4,-2.2 3,-1.4 -5,-0.3 4,-1.0 0.966 109.0 51.9 -60.3 -49.7 45.1 56.3 31.1 439 102 E A H >< S+ 0 0 57 -4,-3.5 3,-1.6 1,-0.3 -2,-0.2 0.958 107.9 53.0 -53.7 -45.8 44.3 59.7 32.6 440 103 E L H 3< S+ 0 0 49 -4,-2.5 -1,-0.3 1,-0.3 4,-0.2 0.763 107.7 51.5 -58.4 -23.4 40.6 58.9 32.5 441 104 E S H XX S+ 0 0 35 -3,-1.4 4,-1.1 -4,-1.0 3,-0.8 0.578 84.9 90.0 -99.3 -2.2 41.2 55.7 34.4 442 105 E Q H S+ 0 0 57 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.876 105.6 47.5 -59.9 -24.3 40.2 58.0 39.5 444 107 E L H <> S+ 0 0 13 -3,-0.8 4,-1.6 -4,-0.2 -2,-0.2 0.814 112.9 46.1 -84.3 -28.7 39.7 54.3 39.8 445 108 E T H X S+ 0 0 44 -4,-1.1 4,-2.6 -3,-0.4 5,-0.2 0.947 111.2 53.0 -76.1 -49.1 43.3 53.4 40.5 446 109 E D H X S+ 0 0 80 -4,-3.2 4,-3.4 1,-0.2 5,-0.3 0.941 109.1 52.3 -43.4 -53.1 43.5 56.3 43.1 447 110 E L H X S+ 0 0 4 -4,-1.9 4,-1.7 -5,-0.3 5,-0.2 0.905 109.8 43.9 -59.0 -46.0 40.4 54.8 44.8 448 111 E S H X>S+ 0 0 12 -4,-1.6 4,-3.3 1,-0.2 5,-0.8 0.873 115.7 50.5 -71.8 -33.5 41.6 51.3 45.2 449 112 E T H <5S+ 0 0 119 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.933 112.8 45.9 -63.0 -48.8 45.0 52.7 46.3 450 113 E R H <5S+ 0 0 195 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.756 130.3 24.8 -57.7 -31.8 43.3 55.0 48.9 451 114 E e H <5S- 0 0 24 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.602 94.5-128.3-117.5 -18.0 41.0 52.2 50.1 452 115 E S T <5 + 0 0 109 -4,-3.3 -3,-0.2 1,-0.3 -4,-0.1 0.981 58.6 148.4 55.7 53.2 42.9 49.0 49.3 453 116 E L < - 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