==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-APR-02 1IW0 . COMPND 2 MOLECULE: HEME OXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR S.HIROTSU,M.UNNO,G.C.CHU,D.S.LEE,S.Y.PARK,Y.SHIRO,M.IKEDA- . 623 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 79.3 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 . 17 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.4 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 3 0 0 1 2 0 0 1 3 1 2 0 3 4 0 0 0 0 0 0 0 0 3 2 1 0 2 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 7 A G > 0 0 71 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 145.9 38.8 -8.3 12.7 2 8 A L H > + 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.871 360.0 58.6 -50.7 -38.9 36.2 -5.7 12.2 3 9 A A H > S+ 0 0 7 168,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.917 109.8 43.0 -62.8 -42.7 35.3 -7.0 8.7 4 10 A V H > S+ 0 0 83 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.925 113.6 50.4 -67.0 -43.9 34.5 -10.5 10.1 5 11 A E H X S+ 0 0 76 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.886 109.8 51.9 -63.9 -37.9 32.5 -9.1 13.1 6 12 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.948 113.3 43.8 -59.2 -50.8 30.5 -6.8 10.8 7 13 A K H X S+ 0 0 131 -4,-1.9 4,-0.8 -5,-0.2 3,-0.3 0.936 116.8 46.3 -62.6 -47.2 29.6 -9.8 8.6 8 14 A Q H >< S+ 0 0 141 -4,-3.0 3,-0.7 1,-0.2 4,-0.4 0.916 112.1 49.7 -62.2 -42.0 28.8 -12.0 11.5 9 15 A S H 3< S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.2 4,-0.2 0.726 120.0 36.1 -74.6 -19.4 26.8 -9.4 13.4 10 16 A T H 3X S+ 0 0 4 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.391 87.0 99.7-110.3 5.4 24.6 -8.6 10.3 11 17 A A H S+ 0 0 162 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.908 111.5 51.4 -70.2 -38.8 20.9 -12.8 10.2 13 19 A A H > S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.854 108.1 53.5 -63.1 -35.4 19.7 -9.3 9.1 14 20 A H H X S+ 0 0 91 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.928 107.3 50.0 -66.9 -43.8 21.0 -10.0 5.6 15 21 A E H X S+ 0 0 116 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.923 109.7 52.5 -57.1 -44.7 19.0 -13.3 5.5 16 22 A K H < S+ 0 0 126 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.865 108.1 50.8 -59.7 -36.4 16.0 -11.4 6.6 17 23 A A H >< S+ 0 0 17 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.926 107.3 52.9 -68.2 -45.6 16.5 -8.9 3.8 18 24 A E H 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.7 48.4 -52.2 -39.4 16.8 -11.7 1.2 19 25 A H T 3< S+ 0 0 135 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.399 79.2 129.6 -91.6 5.2 13.5 -13.1 2.4 20 26 A S <> - 0 0 9 -3,-1.4 4,-3.0 -4,-0.2 5,-0.3 -0.312 63.9-129.1 -57.1 138.4 11.7 -9.7 2.3 21 27 A T H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 105.3 45.1 -61.3 -45.5 8.4 -10.1 0.4 22 28 A F H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.959 119.5 38.4 -61.4 -53.8 9.1 -7.2 -1.9 23 29 A M H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.890 117.1 51.7 -69.7 -37.9 12.7 -8.0 -2.7 24 30 A S H X S+ 0 0 18 -4,-3.0 4,-1.7 2,-0.2 6,-0.2 0.944 112.2 45.9 -58.6 -52.4 12.1 -11.7 -2.9 25 31 A D H X>S+ 0 0 41 -4,-2.6 5,-2.3 -5,-0.3 6,-0.7 0.891 112.9 51.7 -59.2 -41.0 9.2 -11.2 -5.3 26 32 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.2 5,-0.3 0.953 112.3 43.7 -61.7 -50.3 11.3 -8.8 -7.4 27 33 A L H 3<5S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.724 109.9 56.7 -70.7 -23.8 14.3 -11.1 -7.7 28 34 A K H 3<5S- 0 0 115 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.463 117.8-108.6 -83.4 -5.0 12.0 -14.1 -8.5 29 35 A G T <<5S+ 0 0 28 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.566 85.4 121.1 89.9 10.4 10.4 -12.3 -11.5 30 36 A R S - 0 0 15 1,-0.1 4,-1.8 -2,-0.0 3,-0.3 -0.978 34.8 -68.9-176.0-177.8 8.4 -5.9 -12.9 33 39 A V H > S+ 0 0 64 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.818 121.7 63.6 -62.2 -30.5 10.6 -3.1 -14.1 34 40 A A H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 106.3 42.9 -57.2 -48.3 8.2 -0.6 -12.6 35 41 A E H > S+ 0 0 72 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.859 112.6 53.6 -69.5 -37.1 8.8 -1.9 -9.1 36 42 A F H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.906 108.8 50.1 -59.8 -41.6 12.5 -2.0 -9.8 37 43 A T H X S+ 0 0 4 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.891 107.3 53.0 -66.4 -38.5 12.3 1.6 -10.8 38 44 A R H X S+ 0 0 80 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.906 110.1 49.9 -60.6 -42.8 10.5 2.5 -7.6 39 45 A L H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.947 110.6 48.2 -58.6 -48.3 13.3 0.8 -5.6 40 46 A Q H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.807 108.2 55.3 -67.0 -30.4 16.0 2.7 -7.5 41 47 A E H X S+ 0 0 3 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.932 110.4 44.9 -65.6 -47.6 14.1 6.0 -6.9 42 48 A Q H X S+ 0 0 17 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.905 112.3 53.5 -61.7 -42.1 14.1 5.4 -3.2 43 49 A A H X S+ 0 0 2 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.900 103.1 56.3 -60.0 -40.4 17.8 4.4 -3.5 44 50 A W H X S+ 0 0 44 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.922 107.5 50.6 -58.0 -40.5 18.6 7.6 -5.2 45 51 A L H X S+ 0 0 37 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.952 116.4 38.1 -61.4 -51.5 17.2 9.5 -2.3 46 52 A F H X S+ 0 0 4 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.877 115.1 52.3 -75.7 -31.7 19.2 7.6 0.4 47 53 A Y H X S+ 0 0 0 -4,-3.2 4,-2.6 -5,-0.2 27,-0.2 0.866 106.5 55.6 -66.7 -36.0 22.4 7.3 -1.7 48 54 A T H X S+ 0 0 41 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.948 113.6 40.7 -59.0 -47.0 22.2 11.1 -2.2 49 55 A A H X S+ 0 0 6 -4,-1.7 4,-1.9 1,-0.2 3,-0.3 0.922 113.7 52.8 -67.4 -44.0 22.1 11.5 1.6 50 56 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.914 107.5 52.2 -57.3 -42.9 24.7 8.9 2.3 51 57 A E H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.792 104.9 54.8 -69.7 -24.8 27.1 10.5 -0.1 52 58 A Q H X S+ 0 0 75 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.908 111.2 45.8 -69.9 -41.9 26.7 13.9 1.6 53 59 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.896 111.4 51.4 -67.0 -40.0 27.7 12.1 4.9 54 60 A V H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.936 109.4 51.4 -60.0 -44.5 30.6 10.3 3.2 55 61 A D H X S+ 0 0 77 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.892 111.6 46.8 -60.8 -42.4 31.8 13.7 1.8 56 62 A A H X S+ 0 0 28 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.932 114.9 45.1 -66.3 -46.6 31.7 15.2 5.3 57 63 A V H X>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 4,-0.6 0.902 110.8 52.9 -66.8 -40.1 33.5 12.4 7.0 58 64 A R H ><5S+ 0 0 52 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.921 107.7 52.9 -57.0 -42.1 36.1 12.1 4.3 59 65 A A H 3<5S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 101.5 60.5 -67.3 -31.4 36.8 15.8 4.7 60 66 A S H 3<5S- 0 0 69 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.650 116.9-111.9 -66.7 -17.6 37.3 15.3 8.5 61 67 A G T <<5S+ 0 0 41 -3,-1.3 2,-0.5 -4,-0.6 3,-0.3 0.569 72.5 133.6 95.3 12.5 40.2 12.9 7.8 62 68 A F S > S+ 0 0 12 -2,-0.5 4,-1.9 1,-0.1 3,-1.0 0.784 79.8 161.7 54.0 35.8 38.6 6.5 7.0 64 70 A E T 34 + 0 0 118 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.866 67.4 50.4 -56.9 -45.1 39.8 8.4 3.9 65 71 A S T 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.780 111.2 51.8 -67.4 -24.5 41.2 5.5 1.9 66 72 A L T <4 S+ 0 0 1 -3,-1.0 2,-2.1 1,-0.2 -1,-0.2 0.875 95.4 71.0 -75.9 -40.4 38.0 3.6 2.5 67 73 A L S < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.301 70.3 177.6 -81.1 59.2 35.7 6.4 1.3 68 74 A D > - 0 0 44 -2,-2.1 3,-2.1 -3,-0.2 4,-0.2 -0.446 27.5-146.0 -65.7 119.6 36.7 6.1 -2.4 69 75 A P G > S+ 0 0 73 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.722 93.8 76.4 -62.2 -21.9 34.7 8.6 -4.5 70 76 A A G 3 S+ 0 0 36 1,-0.3 90,-0.1 89,-0.1 88,-0.1 0.752 86.6 63.2 -57.6 -24.0 34.6 6.1 -7.3 71 77 A L G < S+ 0 0 0 -3,-2.1 -1,-0.3 88,-0.1 86,-0.1 0.652 72.5 126.0 -74.0 -16.9 31.9 4.3 -5.2 72 78 A N < + 0 0 37 -3,-1.8 4,-0.2 -4,-0.2 85,-0.1 -0.184 32.3 176.3 -49.5 128.0 29.5 7.3 -5.5 73 79 A R > + 0 0 6 -26,-0.1 4,-2.9 2,-0.1 5,-0.2 0.583 53.4 86.4-108.7 -18.2 26.2 6.0 -6.9 74 80 A A H > S+ 0 0 3 -27,-0.2 4,-2.1 1,-0.2 5,-0.1 0.899 93.6 42.8 -59.8 -44.7 23.9 9.0 -6.9 75 81 A E H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 116.2 48.3 -69.4 -44.0 24.8 10.5 -10.3 76 82 A V H > S+ 0 0 24 1,-0.2 4,-2.5 -4,-0.2 78,-0.2 0.914 110.5 52.5 -60.2 -43.4 24.9 7.1 -12.0 77 83 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.898 105.5 54.6 -59.0 -42.0 21.5 6.2 -10.4 78 84 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.914 108.7 48.2 -59.7 -41.8 20.1 9.5 -11.8 79 85 A R H X S+ 0 0 121 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.925 110.9 50.9 -65.2 -40.6 21.2 8.5 -15.2 80 86 A D H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.926 110.8 49.3 -59.3 -43.1 19.7 5.0 -14.8 81 87 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 6,-0.4 0.841 104.9 57.0 -67.4 -35.2 16.4 6.6 -13.7 82 88 A D H X S+ 0 0 56 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.919 114.1 41.3 -60.3 -41.5 16.4 8.9 -16.7 83 89 A K H < S+ 0 0 109 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.933 115.5 48.0 -70.5 -48.3 16.5 5.8 -18.8 84 90 A L H < S+ 0 0 36 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.887 121.8 34.9 -61.6 -39.2 14.0 3.7 -16.8 85 91 A N H < S- 0 0 48 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.563 105.7-123.3 -94.0 -11.9 11.4 6.5 -16.6 86 92 A G S < S+ 0 0 65 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.1 0.266 82.7 23.5 90.9 -12.0 12.1 7.9 -20.1 87 93 A S S S- 0 0 49 -6,-0.4 3,-0.5 -5,-0.1 -2,-0.2 -0.933 90.3 -93.8-164.5-178.7 12.8 11.5 -18.9 88 94 A S S > S+ 0 0 56 -2,-0.3 3,-1.4 1,-0.2 4,-0.3 0.228 88.4 108.2 -93.7 14.9 14.0 13.4 -15.9 89 95 A E T >> + 0 0 137 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.728 60.4 77.7 -65.7 -20.2 10.4 14.0 -14.7 90 96 A W H 3> S+ 0 0 2 -3,-0.5 4,-3.1 1,-0.2 3,-0.4 0.830 78.2 73.0 -57.9 -31.0 10.9 11.5 -11.9 91 97 A R H <4 S+ 0 0 117 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.824 106.0 33.8 -54.9 -35.3 12.9 14.2 -9.9 92 98 A S H <4 S+ 0 0 119 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.586 119.3 51.8 -96.8 -16.1 9.7 16.2 -9.2 93 99 A R H < S+ 0 0 117 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.2 0.861 88.1 95.1 -87.2 -38.0 7.4 13.3 -8.9 94 100 A I < - 0 0 22 -4,-3.1 2,-0.4 -5,-0.1 -56,-0.0 -0.176 50.0-172.3 -65.7 144.2 9.3 11.1 -6.4 95 101 A T - 0 0 107 0, 0.0 2,-0.3 0, 0.0 -50,-0.1 -0.986 29.1-109.4-131.3 144.7 8.7 11.2 -2.7 96 102 A A - 0 0 36 -2,-0.4 -54,-0.0 1,-0.1 -55,-0.0 -0.520 33.3-128.2 -72.5 132.1 10.6 9.6 0.1 97 103 A S > - 0 0 19 -2,-0.3 4,-2.6 1,-0.1 3,-0.2 -0.307 31.4-100.4 -70.3 164.4 8.8 6.7 1.7 98 104 A P H > S+ 0 0 65 0, 0.0 4,-1.9 0, 0.0 274,-0.2 0.902 126.7 53.6 -54.8 -38.0 8.5 6.8 5.5 99 105 A A H > S+ 0 0 2 101,-0.2 4,-2.0 1,-0.2 102,-0.2 0.899 108.9 47.4 -61.4 -43.6 11.4 4.3 5.6 100 106 A V H > S+ 0 0 0 -3,-0.2 4,-3.3 2,-0.2 5,-0.3 0.855 105.8 59.0 -70.0 -33.7 13.5 6.6 3.5 101 107 A I H X S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.950 110.1 42.9 -61.3 -45.2 12.7 9.6 5.6 102 108 A D H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.901 115.9 48.3 -65.0 -42.5 14.1 7.9 8.7 103 109 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.955 114.4 44.9 -63.6 -51.4 17.1 6.6 6.8 104 110 A V H X S+ 0 0 23 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.912 110.6 55.0 -59.4 -43.1 17.9 9.9 5.3 105 111 A N H X S+ 0 0 51 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.913 109.7 47.0 -58.8 -40.4 17.3 11.7 8.6 106 112 A R H X S+ 0 0 29 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.928 111.0 51.1 -67.3 -42.0 19.9 9.4 10.3 107 113 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.882 109.1 51.3 -61.4 -38.8 22.3 10.0 7.5 108 114 A E H X S+ 0 0 56 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.856 108.8 51.8 -66.4 -37.7 21.9 13.8 7.8 109 115 A E H X S+ 0 0 31 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.931 110.9 47.3 -61.3 -46.6 22.6 13.4 11.6 110 116 A I H X>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 4,-0.8 0.925 113.3 49.6 -61.9 -41.0 25.8 11.5 10.8 111 117 A R H ><5S+ 0 0 59 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.956 114.9 41.9 -60.1 -53.9 26.7 14.1 8.2 112 118 A D H 3<5S+ 0 0 78 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 118.8 44.7 -71.2 -28.7 26.2 17.1 10.5 113 119 A N H 3<5S- 0 0 39 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.571 102.2-135.5 -83.9 -12.7 27.8 15.3 13.5 114 120 A V T <<5 - 0 0 63 -4,-0.8 2,-1.2 -3,-0.6 -3,-0.2 0.945 34.3-178.5 51.5 53.9 30.6 14.2 11.3 115 121 A D >< - 0 0 27 -5,-2.2 4,-2.2 1,-0.2 -1,-0.2 -0.683 10.3-175.5 -90.1 92.0 30.3 10.8 13.0 116 122 A G H > S+ 0 0 4 -2,-1.2 4,-2.6 1,-0.2 5,-0.2 0.896 78.3 48.3 -57.4 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-71.0 -41.4 -6.0 11.9 15.2 213 311 B E H X S+ 0 0 87 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.889 108.8 51.7 -64.0 -37.1 -8.4 13.6 17.6 214 312 B L H X S+ 0 0 0 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.946 113.0 45.0 -61.9 -47.2 -5.4 14.3 20.0 215 313 B K H X S+ 0 0 128 -4,-1.8 4,-0.6 -5,-0.2 3,-0.2 0.926 117.4 43.5 -62.7 -47.0 -3.4 15.8 17.2 216 314 B Q H >< S+ 0 0 140 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.893 111.8 51.5 -69.9 -37.5 -6.2 17.9 15.9 217 315 B S H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.727 119.0 37.5 -73.5 -19.4 -7.6 19.1 19.2 218 316 B T H 3X S+ 0 0 3 -4,-1.2 4,-2.5 -3,-0.2 -1,-0.2 0.367 86.4 100.4-110.5 6.3 -4.1 20.3 20.3 219 317 B A H S+ 0 0 141 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.897 112.7 49.1 -66.0 -40.4 -3.6 25.3 17.8 221 319 B A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.877 108.1 54.7 -67.1 -38.2 -1.9 24.9 21.1 222 320 B H H X S+ 0 0 91 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.942 108.9 47.9 -59.2 -47.1 1.1 23.3 19.5 223 321 B E H X S+ 0 0 110 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.914 111.0 50.4 -59.8 -43.0 1.4 26.3 17.1 224 322 B K H < S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.8 46.7 -67.5 -33.7 1.1 28.8 20.0 225 323 B A H >< S+ 0 0 8 -4,-2.2 3,-1.3 2,-0.2 6,-0.3 0.934 112.8 48.1 -71.3 -47.1 3.8 26.9 22.0 226 324 B E H 3< S+ 0 0 89 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 116.9 43.2 -61.4 -37.1 6.2 26.6 19.1 227 325 B H T 3< S+ 0 0 123 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.235 83.6 130.9 -97.1 14.5 5.8 30.2 18.2 228 326 B S S <> S- 0 0 11 -3,-1.3 4,-2.7 1,-0.1 5,-0.3 -0.240 73.0-110.7 -59.3 153.9 6.0 31.5 21.8 229 327 B T H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.937 115.4 46.3 -57.5 -45.4 8.4 34.4 22.1 230 328 B F H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.940 116.7 40.8 -64.5 -48.3 10.9 32.3 24.2 231 329 B M H > S+ 0 0 9 -6,-0.3 4,-3.0 2,-0.2 5,-0.2 0.886 114.6 53.0 -73.0 -34.7 10.9 29.2 22.0 232 330 B S H X S+ 0 0 25 -4,-2.7 4,-1.8 2,-0.2 6,-0.2 0.949 112.9 44.9 -58.2 -54.1 10.9 31.3 18.8 233 331 B D H <>S+ 0 0 51 -4,-2.6 5,-2.4 -5,-0.3 6,-0.7 0.910 115.0 48.3 -57.0 -44.3 13.9 33.2 20.1 234 332 B L H ><5S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 5,-0.2 0.957 113.7 44.7 -64.5 -49.1 15.6 30.0 21.2 235 333 B L H 3<5S+ 0 0 21 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.728 110.6 55.0 -70.2 -22.0 15.1 28.1 18.0 236 334 B K T 3<5S- 0 0 125 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.342 117.0-111.6 -92.9 7.6 16.1 31.0 15.8 237 335 B G T < 5S+ 0 0 25 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.660 81.0 126.0 76.7 18.9 19.4 31.3 17.6 238 336 B R S - 0 0 16 1,-0.1 4,-1.8 -2,-0.0 3,-0.5 -0.960 34.8 -72.5-168.6-179.4 22.2 31.0 23.9 241 339 B V H > S+ 0 0 55 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.838 121.2 64.4 -58.2 -31.3 23.3 27.8 25.5 242 340 B A H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.932 104.4 43.5 -60.2 -47.3 22.4 29.3 28.9 243 341 B E H > S+ 0 0 52 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.862 112.8 52.1 -68.1 -36.9 18.7 29.5 28.0 244 342 B F H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 109.5 50.9 -61.2 -44.3 18.7 26.0 26.4 245 343 B T H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.902 107.5 52.3 -61.5 -42.3 20.3 24.7 29.6 246 344 B R H X S+ 0 0 103 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.902 107.9 52.5 -61.5 -39.3 17.6 26.3 31.7 247 345 B L H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.930 110.4 47.1 -59.9 -45.8 14.9 24.7 29.6 248 346 B Q H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.815 107.7 56.5 -69.3 -30.5 16.5 21.3 30.1 249 347 B E H X S+ 0 0 26 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.932 110.1 45.1 -62.0 -47.5 16.8 21.9 33.9 250 348 B Q H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.919 110.7 54.5 -62.9 -42.2 13.1 22.5 34.0 251 349 B A H X S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.2 5,-0.4 0.876 102.6 56.8 -60.5 -37.6 12.4 19.5 31.8 252 350 B W H X S+ 0 0 11 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.942 108.4 48.5 -57.6 -43.5 14.4 17.3 34.2 253 351 B L H X S+ 0 0 7 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.931 117.5 38.6 -63.3 -47.2 12.1 18.3 37.0 254 352 B F H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.861 114.5 52.5 -78.1 -31.0 8.9 17.7 35.1 255 353 B Y H X S+ 0 0 0 -4,-3.3 4,-2.6 -5,-0.2 27,-0.3 0.867 106.1 56.4 -68.5 -34.6 10.0 14.5 33.3 256 354 B T H X S+ 0 0 10 -4,-2.0 4,-1.5 -5,-0.4 -2,-0.2 0.958 112.8 40.4 -57.6 -49.2 11.0 13.2 36.8 257 355 B A H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.918 114.0 53.7 -66.1 -41.4 7.4 13.7 38.0 258 356 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.936 108.4 49.4 -58.2 -46.1 5.9 12.5 34.7 259 357 B E H X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.815 106.7 54.8 -70.5 -27.4 7.9 9.2 34.9 260 358 B Q H X S+ 0 0 32 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.887 110.7 47.0 -68.2 -39.6 6.8 8.6 38.4 261 359 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 111.1 51.3 -65.2 -43.4 3.2 8.9 37.2 262 360 B V H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.933 108.7 51.6 -58.4 -47.9 3.9 6.6 34.3 263 361 B D H X S+ 0 0 75 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.902 110.7 48.2 -59.2 -40.9 5.4 4.0 36.6 264 362 B A H X S+ 0 0 29 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.930 113.6 45.8 -63.7 -45.3 2.3 4.1 38.8 265 363 B V H ><>S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 3,-0.7 0.930 111.7 51.3 -66.7 -41.2 -0.1 3.8 35.9 266 364 B R H ><5S+ 0 0 49 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.909 105.9 56.4 -60.6 -41.0 1.9 1.0 34.3 267 365 B A H 3<5S+ 0 0 92 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.750 102.2 56.8 -62.6 -26.2 1.9 -0.8 37.7 268 366 B S T <<5S- 0 0 67 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.464 117.6-114.8 -82.9 -5.7 -1.9 -0.6 37.6 269 367 B G T < 5 + 0 0 41 -3,-1.9 2,-0.4 -4,-0.3 3,-0.3 0.649 68.7 138.3 82.2 19.2 -2.0 -2.4 34.3 270 368 B F S > S+ 0 0 14 -2,-0.4 4,-1.7 1,-0.1 3,-1.0 0.767 82.2 162.7 53.0 33.4 -2.0 1.3 28.8 272 370 B E T 34 + 0 0 118 -3,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.859 67.6 49.2 -53.5 -48.1 1.0 -1.0 29.5 273 371 B S T 34 S+ 0 0 77 1,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.790 110.4 52.5 -67.1 -26.8 2.2 -1.5 26.0 274 372 B L T <4 S+ 0 0 6 -3,-1.0 2,-2.2 1,-0.2 -1,-0.2 0.862 95.8 72.1 -68.3 -36.9 2.0 2.3 25.4 275 373 B L S < S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.1 -0.342 70.4 177.1 -86.5 63.5 4.1 3.1 28.5 276 374 B D > - 0 0 46 -2,-2.2 3,-1.9 -3,-0.2 4,-0.2 -0.495 27.0-147.5 -72.3 117.7 7.4 1.8 27.0 277 375 B P G > S+ 0 0 73 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.701 92.0 77.3 -64.7 -14.0 10.2 2.4 29.6 278 376 B A G 3 S+ 0 0 52 1,-0.3 89,-0.3 89,-0.1 88,-0.2 0.700 86.0 63.2 -63.4 -21.0 12.6 2.9 26.7 279 377 B L G < S+ 0 0 1 -3,-1.9 -1,-0.3 86,-0.1 -3,-0.0 0.651 72.3 129.2 -75.9 -16.9 11.0 6.3 26.4 280 378 B N < + 0 0 57 -3,-1.6 4,-0.2 -4,-0.2 -25,-0.0 -0.139 28.9 174.3 -48.2 129.1 12.2 7.4 29.9 281 379 B R > + 0 0 10 -26,-0.1 4,-2.8 2,-0.1 5,-0.2 0.553 52.9 85.6-111.0 -16.1 14.0 10.7 29.6 282 380 B A H > S+ 0 0 5 -27,-0.3 4,-2.0 1,-0.2 5,-0.1 0.928 94.2 43.3 -62.6 -43.8 14.8 11.8 33.2 283 381 B E H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 114.1 52.0 -70.0 -36.7 18.1 10.0 33.6 284 382 B V H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 78,-0.2 0.921 108.1 52.7 -61.1 -44.1 19.2 11.0 30.1 285 383 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.914 105.8 53.0 -59.3 -40.8 18.4 14.7 31.0 286 384 B A H X S+ 0 0 3 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.901 109.4 49.0 -63.5 -38.7 20.5 14.5 34.1 287 385 B R H X S+ 0 0 142 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.906 111.4 49.8 -64.7 -40.8 23.5 13.2 32.0 288 386 B D H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.902 109.3 52.0 -62.6 -41.2 22.9 16.0 29.5 289 387 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 6,-0.4 0.859 102.0 58.8 -65.7 -35.3 22.9 18.6 32.3 290 388 B D H < S+ 0 0 29 -4,-1.7 4,-0.4 1,-0.2 5,-0.3 0.818 113.9 40.7 -61.4 -29.3 26.2 17.3 33.7 291 389 B K H < S+ 0 0 117 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.846 114.2 49.4 -86.5 -38.4 27.6 18.1 30.2 292 390 B L H < S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.845 117.0 39.3 -69.9 -40.1 25.9 21.5 29.5 293 391 B N S < S- 0 0 64 -4,-2.2 -1,-0.2 2,-0.3 -2,-0.1 0.673 98.7-133.8 -85.6 -19.3 26.7 23.1 32.9 294 392 B G S S+ 0 0 66 -4,-0.4 2,-0.3 -5,-0.3 -3,-0.1 0.771 81.0 39.3 69.7 25.9 30.2 21.6 33.0 295 393 B S S S- 0 0 53 -6,-0.4 -2,-0.3 -5,-0.3 -1,-0.2 -0.943 81.1-113.0 179.8 172.3 29.6 20.6 36.6 296 394 B S S S+ 0 0 12 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.023 81.6 92.0 -98.1-147.9 26.9 19.2 38.9 297 395 B E > + 0 0 63 1,-0.1 4,-0.6 -2,-0.1 5,-0.2 0.359 64.1 96.3 71.0 -21.5 25.6 21.6 41.6 298 396 B W H >> S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 3,-1.2 0.870 80.6 59.4 -56.5 -36.2 23.1 22.3 39.0 299 397 B R H 34 S+ 0 0 15 1,-0.3 -1,-0.2 2,-0.2 213,-0.1 0.829 109.9 40.1 -58.2 -29.0 21.5 19.7 41.3 300 398 B S H 34 S+ 0 0 10 1,-0.1 -1,-0.3 213,-0.1 -2,-0.2 0.428 118.1 46.5 -96.0 -5.4 22.0 22.2 44.1 301 399 B R H << S+ 0 0 200 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.2 0.730 89.5 92.5-106.9 -28.4 21.0 25.4 42.1 302 400 B I < + 0 0 10 -4,-2.3 2,-0.3 -5,-0.2 210,-0.0 -0.180 41.1 171.4 -82.2 156.1 17.9 24.5 40.3 303 401 B T - 0 0 79 208,-0.1 2,-0.1 0, 0.0 207,-0.1 -0.979 40.0 -94.2-153.0 146.4 14.3 25.0 41.2 304 402 B A - 0 0 10 -2,-0.3 -54,-0.0 203,-0.2 206,-0.0 -0.390 39.0-128.1 -60.9 132.3 10.9 24.6 39.4 305 403 B S > - 0 0 7 -2,-0.1 4,-2.8 112,-0.1 5,-0.2 -0.269 35.8 -94.0 -71.0 167.7 9.6 27.8 37.9 306 404 B P H > S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.915 129.0 49.5 -51.3 -44.0 6.0 28.7 38.8 307 405 B A H > S+ 0 0 7 101,-0.3 4,-2.3 1,-0.2 102,-0.2 0.897 111.1 48.8 -61.2 -41.7 4.8 27.0 35.7 308 406 B V H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.878 105.9 57.3 -70.2 -34.1 6.7 23.9 36.4 309 407 B I H X S+ 0 0 75 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.946 109.5 45.6 -55.2 -47.3 5.4 23.8 40.0 310 408 B D H X S+ 0 0 95 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.916 115.0 48.0 -62.8 -42.9 1.9 23.7 38.5 311 409 B Y H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.941 113.2 45.8 -64.9 -51.5 2.9 21.0 36.0 312 410 B V H X S+ 0 0 9 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.895 109.7 56.2 -56.4 -43.3 4.6 18.8 38.6 313 411 B N H X S+ 0 0 88 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.919 109.9 45.2 -57.0 -45.6 1.7 19.3 41.0 314 412 B R H X S+ 0 0 37 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.922 112.0 51.4 -65.4 -43.6 -0.7 17.9 38.4 315 413 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.891 110.3 49.2 -60.3 -36.9 1.6 15.1 37.5 316 414 B E H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.827 108.6 53.0 -74.2 -31.4 1.9 14.1 41.1 317 415 B E H X S+ 0 0 98 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.922 108.9 50.3 -63.5 -44.8 -1.9 14.2 41.4 318 416 B I H X>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-0.8 0.905 112.3 47.8 -59.1 -40.8 -2.2 11.9 38.5 319 417 B R H ><5S+ 0 0 40 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.953 113.8 45.4 -64.1 -51.4 0.3 9.6 40.1 320 418 B D H 3<5S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 119.6 40.8 -63.3 -37.7 -1.5 9.6 43.5 321 419 B N H 3<5S- 0 0 104 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.562 102.0-133.3 -85.2 -9.7 -4.9 9.1 41.9 322 420 B V T <<5 - 0 0 65 -4,-0.8 2,-1.3 -3,-0.6 -3,-0.2 0.950 34.8-178.8 49.2 56.2 -3.5 6.6 39.4 323 421 B D >< - 0 0 28 -5,-2.0 4,-2.3 1,-0.2 -1,-0.2 -0.673 7.9-176.8 -91.5 90.8 -5.4 8.4 36.7 324 422 B G H > S+ 0 0 5 -2,-1.3 4,-2.5 2,-0.2 5,-0.2 0.925 77.6 47.2 -58.4 -56.0 -4.6 6.3 33.6 325 423 B P H > S+ 0 0 10 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.925 113.7 48.8 -54.9 -43.5 -6.4 8.4 31.0 326 424 B A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.903 110.6 51.7 -61.8 -41.0 -4.9 11.6 32.3 327 425 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 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