==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-02 1N45 . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.SCHULLER,A.WILKS,P.R.ORTIZ DE MONTELLANO,T.L.POULOS . 428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 75.9 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 . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 3 0 0 2 1 1 0 0 2 0 2 0 2 0 1 0 0 0 0 0 0 2 0 2 1 0 1 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 10 A P 0 0 81 0, 0.0 6,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 163.7 3.3 1.3 17.2 2 11 A Q + 0 0 170 4,-0.1 2,-0.3 5,-0.0 3,-0.0 0.883 360.0 72.2 -65.1 -48.1 0.5 3.7 16.3 3 12 A D S > S- 0 0 63 1,-0.2 4,-2.6 2,-0.0 3,-0.5 -0.612 75.5-141.6 -81.6 132.3 2.1 5.3 13.3 4 13 A L H > S+ 0 0 5 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.848 101.8 58.9 -54.8 -41.5 2.4 3.1 10.2 5 14 A S H > S+ 0 0 8 169,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.880 111.7 40.8 -60.9 -38.8 5.8 4.6 9.4 6 15 A E H > S+ 0 0 113 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.837 112.5 55.2 -72.7 -39.7 7.1 3.4 12.8 7 16 A A H X S+ 0 0 9 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.934 110.6 46.5 -56.4 -44.2 5.2 0.0 12.5 8 17 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.939 111.8 49.7 -64.7 -45.8 6.9 -0.6 9.2 9 18 A K H < S+ 0 0 133 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.927 116.3 42.3 -59.3 -46.7 10.3 0.3 10.5 10 19 A E H >< S+ 0 0 127 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.917 113.1 51.6 -69.1 -43.0 10.0 -1.9 13.5 11 20 A A H 3< S+ 0 0 19 -4,-3.1 4,-0.3 1,-0.3 3,-0.3 0.783 113.3 45.0 -67.0 -25.5 8.4 -4.8 11.6 12 21 A T T 3X S+ 0 0 5 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.3 0.350 80.6 101.3-103.8 11.8 11.2 -4.9 9.0 13 22 A K H <> S+ 0 0 158 -3,-1.2 4,-1.8 -4,-0.2 -1,-0.2 0.921 85.0 45.5 -58.2 -44.8 14.2 -4.6 11.3 14 23 A E H > S+ 0 0 114 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.897 113.5 47.1 -74.7 -36.2 15.0 -8.3 11.1 15 24 A V H > S+ 0 0 4 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.870 107.8 57.8 -73.8 -27.5 14.6 -8.7 7.4 16 25 A H H X S+ 0 0 91 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.914 107.9 47.9 -60.7 -40.8 16.7 -5.5 6.8 17 26 A T H X S+ 0 0 57 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.930 106.5 56.3 -64.5 -38.2 19.5 -7.2 8.8 18 27 A Q H X S+ 0 0 85 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.904 109.0 47.7 -59.7 -37.8 19.0 -10.3 6.7 19 28 A A H >< S+ 0 0 13 -4,-1.9 3,-0.9 1,-0.2 6,-0.2 0.926 110.0 51.1 -68.0 -42.7 19.6 -8.1 3.6 20 29 A E H 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.759 112.2 49.3 -62.6 -25.5 22.7 -6.6 5.2 21 30 A N H 3< S+ 0 0 91 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.512 80.9 118.6 -93.1 -9.5 23.9 -10.1 5.9 22 31 A A S S+ 0 0 99 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.915 111.4 50.9 -55.0 -46.5 26.6 -12.6 0.9 24 33 A F H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.945 116.2 42.2 -59.1 -43.8 26.4 -10.2 -2.1 25 34 A M H > S+ 0 0 30 -6,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.862 110.3 56.4 -73.9 -31.2 25.8 -7.3 0.3 26 35 A R H X S+ 0 0 108 -4,-3.3 4,-2.4 2,-0.2 6,-0.2 0.956 111.8 45.0 -58.7 -45.3 28.4 -8.5 2.7 27 36 A N H <>S+ 0 0 38 -4,-3.4 5,-3.2 -5,-0.3 -2,-0.2 0.939 111.1 51.2 -68.1 -40.8 30.8 -8.4 -0.1 28 37 A F H ><5S+ 0 0 16 -4,-2.4 3,-1.8 -5,-0.2 5,-0.3 0.954 112.3 48.2 -56.2 -49.6 29.6 -5.0 -1.3 29 38 A Q H 3<5S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 106.8 54.1 -61.6 -34.7 30.0 -3.7 2.2 30 39 A K T 3<5S- 0 0 142 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.383 123.0-110.8 -79.8 12.3 33.6 -5.1 2.6 31 40 A G T < 5S+ 0 0 36 -3,-1.8 2,-0.5 -5,-0.1 -3,-0.2 0.633 81.2 130.5 62.0 26.4 34.2 -3.2 -0.7 32 41 A Q < + 0 0 119 -5,-3.2 2,-0.4 -6,-0.2 -4,-0.2 -0.282 27.9 134.1 -98.8 51.3 34.5 -6.3 -2.8 33 42 A V - 0 0 16 -2,-0.5 2,-0.3 -5,-0.3 3,-0.0 -0.821 40.4-154.9 -93.7 143.5 32.1 -5.2 -5.5 34 43 A T > - 0 0 81 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.739 28.3-112.3-106.9 164.5 33.2 -5.7 -9.1 35 44 A R H > S+ 0 0 92 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.904 119.6 53.3 -61.1 -38.1 32.1 -3.7 -12.1 36 45 A D H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 111.1 45.5 -63.5 -39.5 30.3 -6.8 -13.4 37 46 A G H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.924 113.3 50.3 -68.5 -42.2 28.5 -7.2 -10.1 38 47 A F H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.893 107.3 53.7 -61.4 -44.2 27.6 -3.5 -10.0 39 48 A K H X S+ 0 0 49 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.899 107.3 53.0 -53.9 -43.7 26.2 -3.5 -13.5 40 49 A L H X S+ 0 0 18 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.886 108.2 47.9 -65.1 -39.6 24.0 -6.4 -12.6 41 50 A V H X S+ 0 0 20 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.898 111.4 51.4 -69.1 -36.1 22.5 -4.6 -9.6 42 51 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 109.9 49.5 -65.2 -40.4 21.9 -1.5 -11.8 43 52 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.919 110.6 51.3 -60.6 -43.1 20.1 -3.6 -14.4 44 53 A S H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 108.5 50.9 -56.1 -51.0 18.0 -5.1 -11.6 45 54 A L H X S+ 0 0 15 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.867 105.8 56.0 -59.6 -40.3 17.1 -1.7 -10.3 46 55 A Y H X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.973 110.3 44.2 -55.5 -54.5 16.0 -0.5 -13.7 47 56 A H H X S+ 0 0 27 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.922 115.0 49.2 -57.0 -43.6 13.5 -3.3 -14.1 48 57 A I H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.942 114.1 43.5 -61.2 -53.5 12.2 -2.9 -10.5 49 58 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.864 108.9 57.4 -69.9 -31.8 11.7 0.8 -10.8 50 59 A V H X S+ 0 0 40 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.955 114.0 40.9 -56.1 -45.5 10.1 0.6 -14.3 51 60 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.941 116.9 47.2 -69.8 -46.4 7.5 -1.8 -12.8 52 61 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.927 113.5 47.6 -60.6 -44.0 7.1 0.2 -9.6 53 62 A E H X S+ 0 0 24 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.817 108.4 55.4 -72.6 -27.4 6.7 3.5 -11.3 54 63 A E H X S+ 0 0 86 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.930 111.4 44.1 -64.0 -42.9 4.2 2.1 -13.8 55 64 A E H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.812 110.2 54.7 -75.9 -29.2 2.0 0.9 -11.0 56 65 A I H X S+ 0 0 12 -4,-2.1 4,-0.7 2,-0.2 3,-0.2 0.941 108.9 49.0 -66.8 -43.3 2.4 4.2 -9.1 57 66 A E H >< S+ 0 0 82 -4,-2.1 3,-0.7 1,-0.2 4,-0.2 0.909 109.4 53.1 -60.6 -39.1 1.2 6.1 -12.2 58 67 A R H 3< S+ 0 0 110 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.871 120.3 32.0 -59.1 -38.6 -1.7 3.7 -12.4 59 68 A N H >< S+ 0 0 18 -4,-1.5 3,-1.7 -3,-0.2 7,-0.3 0.206 81.5 114.7-108.2 13.1 -2.8 4.3 -8.9 60 69 A K T << S+ 0 0 68 -3,-0.7 -1,-0.2 -4,-0.7 9,-0.2 0.780 82.1 43.3 -62.7 -26.6 -1.8 7.9 -8.3 61 70 A E T 3 S+ 0 0 178 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.450 90.3 109.3 -98.3 0.2 -5.3 9.2 -7.9 62 71 A S S X> S- 0 0 35 -3,-1.7 4,-3.4 1,-0.1 3,-2.0 -0.517 73.3-131.0 -77.3 143.3 -6.4 6.3 -5.6 63 72 A P T 34 S+ 0 0 107 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.728 106.2 63.6 -65.7 -17.0 -7.0 7.1 -2.0 64 73 A V T 34 S+ 0 0 51 1,-0.1 57,-0.3 2,-0.1 -4,-0.1 0.536 124.1 12.7 -80.2 -8.5 -4.9 4.1 -1.0 65 74 A F T X4 S+ 0 0 2 -3,-2.0 3,-2.3 -6,-0.3 4,-0.2 0.592 98.9 90.3-137.9 -31.9 -1.8 5.7 -2.6 66 75 A A G >< S+ 0 0 39 -4,-3.4 3,-2.0 -7,-0.3 -2,-0.1 0.808 82.3 63.2 -47.1 -41.6 -2.3 9.5 -3.5 67 76 A P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.795 109.8 40.2 -57.1 -24.4 -1.0 10.8 -0.1 68 77 A V G < S+ 0 0 2 -3,-2.3 2,-0.9 108,-0.1 -2,-0.2 0.153 83.2 125.2-109.6 20.1 2.4 9.3 -0.9 69 78 A Y < + 0 0 57 -3,-2.0 -3,-0.0 -4,-0.2 -4,-0.0 -0.692 20.5 151.7 -82.6 106.9 2.5 10.3 -4.6 70 79 A F > + 0 0 24 -2,-0.9 4,-1.9 1,-0.1 5,-0.3 -0.616 6.0 162.5-133.8 69.6 5.7 12.3 -5.1 71 80 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.897 73.3 45.2 -63.0 -44.5 6.8 11.8 -8.7 72 81 A E H 4 S+ 0 0 83 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.882 116.8 46.5 -67.9 -36.4 9.2 14.6 -9.2 73 82 A E H 4 S+ 0 0 58 1,-0.1 89,-0.3 88,-0.1 -1,-0.2 0.864 126.8 21.4 -73.7 -34.1 10.9 14.0 -5.9 74 83 A L H < S+ 0 0 6 -4,-1.9 -2,-0.2 88,-0.1 -1,-0.1 0.688 78.0 127.4-115.4 -20.3 11.4 10.3 -6.1 75 84 A H < + 0 0 48 -4,-2.4 4,-0.1 -5,-0.3 -26,-0.0 -0.130 23.3 172.0 -55.4 136.2 11.2 9.0 -9.7 76 85 A R > + 0 0 4 -27,-0.1 4,-2.2 2,-0.1 5,-0.2 0.514 51.7 89.5-118.8 -13.4 14.2 6.9 -10.5 77 86 A K H > S+ 0 0 49 1,-0.2 4,-2.4 -28,-0.2 5,-0.2 0.944 92.1 47.9 -56.4 -47.3 13.6 5.3 -14.0 78 87 A A H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 110.4 51.5 -62.5 -38.6 15.1 8.2 -15.9 79 88 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 78,-0.3 0.924 110.8 48.7 -62.8 -40.6 18.2 8.2 -13.7 80 89 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.847 106.6 56.2 -71.5 -33.6 18.7 4.5 -14.3 81 90 A E H X S+ 0 0 5 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.941 109.4 46.7 -59.1 -49.7 18.3 4.9 -18.0 82 91 A Q H X S+ 0 0 9 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.933 114.3 48.1 -53.0 -48.2 21.2 7.5 -17.9 83 92 A D H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.4 0.922 109.7 50.1 -65.2 -41.7 23.3 5.1 -15.8 84 93 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.3 5,-0.5 0.861 103.3 59.8 -71.8 -31.3 22.7 2.0 -17.9 85 94 A A H X S+ 0 0 11 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.3 0.864 111.1 43.6 -60.1 -33.6 23.7 3.8 -21.1 86 95 A F H < S+ 0 0 46 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.943 119.5 39.9 -70.5 -51.6 27.0 4.5 -19.3 87 96 A W H < S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.814 132.6 21.8 -72.8 -30.9 27.5 1.0 -17.9 88 97 A Y H < S- 0 0 48 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.427 107.6-123.8-118.2 -3.3 26.2 -1.1 -20.9 89 98 A G >< - 0 0 18 -4,-0.8 3,-2.1 -5,-0.5 -1,-0.2 -0.137 48.4 -43.0 87.0 179.1 26.6 1.4 -23.7 90 99 A P T 3 S+ 0 0 88 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.798 136.0 50.4 -60.3 -27.9 24.2 2.9 -26.2 91 100 A R T > S+ 0 0 152 -3,-0.3 3,-1.7 1,-0.2 4,-0.5 0.070 70.4 130.9 -97.1 26.3 22.6 -0.4 -27.0 92 101 A W G X> + 0 0 2 -3,-2.1 4,-2.6 1,-0.3 3,-1.6 0.808 63.6 63.1 -47.8 -38.0 22.0 -1.2 -23.3 93 102 A Q G 34 S+ 0 0 104 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.845 105.1 46.7 -61.1 -31.5 18.3 -2.1 -23.9 94 103 A E G <4 S+ 0 0 119 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.510 122.0 33.6 -83.7 -9.5 19.3 -5.0 -26.0 95 104 A V T <4 S+ 0 0 89 -3,-1.6 -2,-0.2 -4,-0.5 -3,-0.1 0.641 81.9 107.9-124.9 -19.7 21.9 -6.3 -23.7 96 105 A I S < S- 0 0 19 -4,-2.6 2,-0.1 -5,-0.2 -56,-0.0 -0.295 71.4-114.1 -60.2 140.9 20.9 -5.8 -20.1 97 106 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.436 22.5-165.3 -75.3 154.5 19.9 -9.0 -18.4 98 107 A Y - 0 0 99 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.855 24.1-170.2-136.5 93.3 16.4 -9.7 -17.1 99 108 A T > - 0 0 15 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.378 36.7-104.1 -92.2 163.7 16.8 -12.7 -14.9 100 109 A P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.879 121.2 50.9 -51.5 -40.1 14.2 -15.0 -13.2 101 110 A A H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 103,-0.2 0.881 110.9 48.4 -69.5 -35.1 14.8 -13.3 -9.7 102 111 A M H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 110.8 51.7 -62.5 -46.4 14.3 -9.9 -11.3 103 112 A Q H X S+ 0 0 85 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.857 104.5 56.8 -60.0 -39.3 11.1 -11.1 -13.0 104 113 A R H X S+ 0 0 108 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.936 109.9 44.8 -59.2 -44.0 9.7 -12.4 -9.7 105 114 A Y H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.941 114.0 48.1 -65.5 -48.6 10.0 -9.0 -8.2 106 115 A V H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.910 109.2 55.4 -58.5 -41.9 8.5 -7.2 -11.2 107 116 A K H X S+ 0 0 137 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.915 109.0 46.3 -59.2 -44.8 5.6 -9.8 -11.3 108 117 A R H X S+ 0 0 41 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.894 108.6 54.9 -68.0 -38.5 4.7 -9.0 -7.7 109 118 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 111.8 44.5 -59.5 -40.5 4.9 -5.3 -8.2 110 119 A H H X S+ 0 0 46 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.908 111.7 52.1 -72.7 -37.8 2.4 -5.6 -11.1 111 120 A E H X>S+ 0 0 74 -4,-2.6 4,-2.7 -5,-0.2 5,-0.9 0.940 112.6 47.0 -61.2 -42.1 0.1 -7.9 -9.2 112 121 A V H X5S+ 0 0 0 -4,-2.8 4,-1.4 3,-0.2 7,-0.2 0.957 114.7 44.6 -63.1 -48.4 0.1 -5.5 -6.3 113 122 A G H <5S+ 0 0 1 -4,-2.4 -1,-0.2 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1,-0.2 -1,-0.2 0.913 109.4 51.3 -67.9 -34.7 27.6 32.6 -36.1 234 28 B A H >< S+ 0 0 12 -4,-2.1 3,-0.7 1,-0.2 6,-0.2 0.906 107.0 54.6 -67.2 -40.3 26.8 30.6 -33.0 235 29 B E H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 111.7 44.5 -60.3 -31.9 29.9 28.5 -33.7 236 30 B N H 3< S+ 0 0 81 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.485 78.0 120.9-102.1 -1.1 32.0 31.7 -33.7 237 31 B A S S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.870 108.8 51.5 -54.5 -42.8 33.5 33.7 -28.4 239 33 B F H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 116.4 39.5 -58.2 -48.5 32.1 31.6 -25.6 240 34 B M H > S+ 0 0 35 -3,-0.2 4,-2.8 -6,-0.2 5,-0.3 0.905 113.0 54.5 -74.8 -41.6 31.3 28.7 -27.8 241 35 B R H X S+ 0 0 116 -4,-3.4 4,-1.2 2,-0.2 6,-0.2 0.898 111.5 46.9 -59.2 -34.8 34.4 29.0 -29.8 242 36 B N H <>S+ 0 0 29 -4,-2.0 5,-3.1 -5,-0.4 3,-0.5 0.975 109.1 52.1 -71.5 -46.5 36.4 28.8 -26.6 243 37 B F H ><5S+ 0 0 6 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.900 110.2 49.9 -52.4 -46.4 34.4 25.9 -25.3 244 38 B Q H 3<5S+ 0 0 116 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.811 106.3 57.2 -60.3 -31.1 35.1 24.1 -28.6 245 39 B K T 3<5S- 0 0 134 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.497 125.3-104.6 -77.9 -5.4 38.8 25.0 -28.1 246 40 B G T < 5S+ 0 0 34 -3,-1.5 2,-1.2 -4,-0.3 -3,-0.2 0.578 84.9 131.6 83.8 4.8 38.8 23.2 -24.8 247 41 B Q < + 0 0 114 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.697 28.1 119.1 -96.3 84.1 38.7 26.6 -23.1 248 42 B V - 0 0 18 -2,-1.2 2,-0.3 -5,-0.1 -8,-0.0 -0.995 43.9-153.4-144.3 141.4 35.9 26.3 -20.6 249 43 B T > - 0 0 82 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.718 33.6-106.1-113.7 171.2 35.9 26.7 -16.8 250 44 B R H > S+ 0 0 114 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.898 121.2 51.4 -63.0 -36.7 33.8 25.2 -14.1 251 45 B D H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 113.1 44.9 -60.8 -43.6 32.1 28.7 -13.6 252 46 B G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 112.7 51.0 -65.4 -48.4 31.3 29.0 -17.3 253 47 B F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.906 107.4 53.0 -67.2 -39.2 30.1 25.5 -17.6 254 48 B K H X S+ 0 0 56 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.896 107.8 51.6 -59.0 -41.9 27.8 25.9 -14.6 255 49 B L H X S+ 0 0 23 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.900 110.3 49.1 -62.9 -40.4 26.3 29.0 -16.3 256 50 B V H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.926 111.7 47.6 -61.5 -48.3 25.7 27.0 -19.4 257 51 B M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 111.4 51.2 -64.5 -41.0 24.1 24.1 -17.6 258 52 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.928 110.1 50.5 -60.0 -43.8 21.8 26.5 -15.7 259 53 B S H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.922 108.8 51.4 -57.5 -48.1 20.8 28.2 -19.0 260 54 B L H X S+ 0 0 15 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.872 106.3 54.5 -62.9 -38.0 19.9 24.8 -20.5 261 55 B Y H X S+ 0 0 17 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.965 110.3 45.5 -60.7 -50.4 17.7 23.9 -17.5 262 56 B H H X S+ 0 0 31 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.926 115.5 47.5 -59.0 -42.3 15.7 27.0 -17.8 263 57 B I H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.935 114.8 44.0 -65.1 -47.2 15.4 26.6 -21.6 264 58 B Y H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.850 108.8 57.6 -71.0 -31.8 14.4 23.0 -21.5 265 59 B V H X S+ 0 0 28 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.958 113.1 41.5 -55.2 -51.0 12.0 23.5 -18.6 266 60 B A H X S+ 0 0 1 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.944 116.0 47.6 -62.7 -47.9 10.1 26.0 -20.8 267 61 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.938 114.3 46.8 -61.6 -44.5 10.3 24.0 -24.0 268 62 B E H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.857 109.1 54.1 -72.2 -32.6 9.2 20.8 -22.3 269 63 B E H X S+ 0 0 101 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.929 112.4 44.9 -59.1 -45.3 6.3 22.5 -20.6 270 64 B E H X S+ 0 0 5 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.852 110.6 53.3 -74.2 -29.6 5.1 23.9 -23.9 271 65 B I H X S+ 0 0 9 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.945 109.1 49.9 -65.4 -44.6 5.6 20.5 -25.6 272 66 B E H < S+ 0 0 83 -4,-2.4 3,-0.4 1,-0.2 4,-0.2 0.886 109.2 52.1 -64.8 -36.3 3.4 18.9 -22.9 273 67 B R H < S+ 0 0 175 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.873 122.7 29.4 -61.2 -36.2 0.7 21.6 -23.5 274 68 B N H >< S+ 0 0 17 -4,-1.6 3,-1.7 1,-0.2 7,-0.3 0.343 82.3 112.3-111.7 7.9 0.6 21.0 -27.2 275 69 B K T 3< S+ 0 0 66 -4,-1.0 -1,-0.2 -3,-0.4 9,-0.2 0.735 81.1 48.1 -60.8 -26.2 1.6 17.3 -27.6 276 70 B E T 3 S+ 0 0 170 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.539 89.2 101.7 -91.0 -6.8 -1.9 16.2 -28.8 277 71 B S S X> S- 0 0 37 -3,-1.7 4,-2.9 1,-0.1 3,-2.1 -0.478 78.6-127.2 -75.0 144.5 -2.2 19.0 -31.4 278 72 B P T 34 S+ 0 0 109 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.759 106.6 69.4 -64.1 -15.5 -1.6 18.0 -35.0 279 73 B V T 34 S+ 0 0 39 1,-0.1 57,-0.3 -5,-0.1 -4,-0.1 0.623 123.2 8.6 -73.8 -10.9 1.0 20.9 -35.2 280 74 B F T X4 S+ 0 0 2 -3,-2.1 3,-2.3 -6,-0.3 4,-0.2 0.563 100.8 91.7-139.6 -26.8 3.3 18.9 -32.9 281 75 B A G >< S+ 0 0 39 -4,-2.9 3,-2.2 -7,-0.3 -2,-0.1 0.836 84.6 59.4 -48.3 -44.0 2.1 15.3 -32.3 282 76 B P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.701 111.3 42.1 -60.9 -18.8 4.1 13.8 -35.2 283 77 B V G < S+ 0 0 2 -3,-2.3 2,-0.8 108,-0.1 -2,-0.2 0.148 83.4 122.6-111.3 19.1 7.3 15.1 -33.6 284 78 B Y < + 0 0 57 -3,-2.2 -3,-0.0 -4,-0.2 -4,-0.0 -0.718 21.6 153.7 -85.9 109.4 6.4 14.2 -30.0 285 79 B F > + 0 0 21 -2,-0.8 4,-2.1 1,-0.1 5,-0.3 -0.659 6.5 165.3-134.9 70.9 9.1 11.8 -28.7 286 80 B P H > S+ 0 0 40 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.898 73.1 43.9 -64.1 -47.9 9.1 12.3 -25.0 287 81 B E H 4 S+ 0 0 88 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.892 117.0 47.6 -67.3 -36.7 11.1 9.3 -23.8 288 82 B E H 4 S+ 0 0 61 1,-0.2 89,-0.3 89,-0.1 -1,-0.2 0.861 126.0 21.4 -68.6 -39.1 13.8 9.7 -26.5 289 83 B L H < S+ 0 0 5 -4,-2.1 -2,-0.2 88,-0.1 -1,-0.2 0.657 78.4 127.0-110.0 -21.3 14.4 13.4 -26.1 290 84 B H < + 0 0 48 -4,-2.3 4,-0.1 -5,-0.3 -26,-0.0 -0.125 24.1 171.9 -55.8 135.7 13.4 14.8 -22.7 291 85 B R > + 0 0 5 -27,-0.1 4,-2.3 2,-0.1 5,-0.2 0.525 51.9 88.4-118.7 -15.5 16.2 16.6 -21.0 292 86 B K H > S+ 0 0 53 1,-0.2 4,-2.4 -28,-0.2 5,-0.2 0.923 91.8 47.8 -55.9 -48.0 14.8 18.3 -17.9 293 87 B A H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 111.0 51.4 -62.2 -39.7 15.4 15.3 -15.6 294 88 B A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 78,-0.3 0.893 111.8 48.1 -58.9 -43.3 19.0 14.9 -16.9 295 89 B L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.869 107.2 54.7 -69.2 -34.7 19.6 18.6 -16.2 296 90 B E H X S+ 0 0 6 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.952 110.0 48.5 -58.6 -47.9 18.1 18.3 -12.7 297 91 B Q H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.937 113.5 46.5 -53.9 -49.4 20.6 15.5 -12.0 298 92 B D H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.903 110.3 51.1 -65.9 -42.4 23.5 17.5 -13.3 299 93 B L H X>S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.5 0.846 102.3 60.2 -69.8 -28.1 22.7 20.7 -11.5 300 94 B A H X5S+ 0 0 12 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.891 111.3 43.2 -63.0 -34.2 22.4 18.9 -8.2 301 95 B F H <5S+ 0 0 44 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.945 118.1 42.7 -70.1 -50.0 26.0 17.9 -8.7 302 96 B W H <5S+ 0 0 21 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.810 133.5 17.6 -73.2 -29.9 27.2 21.4 -9.9 303 97 B Y H <5S- 0 0 49 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.501 106.5-120.0-120.2 -6.4 25.4 23.5 -7.4 304 98 B G ><< - 0 0 19 -4,-1.0 3,-2.0 -5,-0.5 -1,-0.2 -0.304 50.9 -42.8 91.1-179.9 24.5 21.1 -4.6 305 99 B P T 3 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.756 134.9 50.7 -64.5 -22.8 21.2 20.0 -3.2 306 100 B R T >> S+ 0 0 114 -3,-0.3 3,-1.5 1,-0.2 4,-1.1 0.052 72.6 127.7-101.3 27.9 19.6 23.5 -3.0 307 101 B W H X> + 0 0 2 -3,-2.0 4,-2.5 1,-0.3 3,-0.7 0.844 64.1 60.9 -49.7 -40.3 20.5 24.1 -6.7 308 102 B Q H 34 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.839 107.3 46.6 -64.4 -28.5 17.0 25.2 -7.6 309 103 B E H <4 S+ 0 0 129 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.677 121.1 35.3 -76.7 -25.9 17.2 28.1 -5.1 310 104 B V H << S+ 0 0 87 -4,-1.1 -2,-0.2 -3,-0.7 -3,-0.1 0.688 81.8 113.1-114.0 -15.3 20.7 29.3 -6.1 311 105 B I S < S- 0 0 20 -4,-2.5 2,-0.1 -5,-0.2 -56,-0.1 -0.304 71.1-108.4 -61.4 146.6 21.0 28.8 -9.9 312 106 B P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.343 25.2-166.2 -68.9 153.8 21.2 32.1 -11.9 313 107 B Y - 0 0 109 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.823 21.3-175.7-140.8 92.7 18.4 33.3 -14.1 314 108 B T > - 0 0 18 -2,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.430 39.7-100.3 -95.7 164.6 19.7 36.1 -16.3 315 109 B P H > S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 122.0 48.8 -51.7 -42.6 18.1 38.4 -18.8 316 110 B A H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 103,-0.2 0.833 110.7 49.9 -72.4 -30.9 19.2 36.4 -21.8 317 111 B M H > S+ 0 0 0 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.936 113.1 49.3 -64.2 -45.0 18.0 33.1 -20.3 318 112 B Q H X S+ 0 0 107 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.871 104.0 55.9 -65.8 -39.2 14.7 34.8 -19.6 319 113 B R H X S+ 0 0 124 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.898 110.7 47.7 -58.1 -39.0 14.3 36.2 -23.2 320 114 B Y H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.953 113.0 46.7 -66.8 -51.1 14.7 32.6 -24.4 321 115 B V H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.913 110.8 53.4 -56.7 -43.3 12.2 31.2 -21.9 322 116 B K H X S+ 0 0 132 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.926 109.4 47.6 -61.9 -44.3 9.7 34.0 -22.7 323 117 B R H X S+ 0 0 45 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.906 108.7 54.5 -65.1 -41.0 9.8 33.4 -26.4 324 118 B L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 111.6 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