==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-OCT-09 3K4F . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.N.RAHMAN,Z.JIA . 430 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 72.1 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 . 1 0.2 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 . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 60.2 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 4 0 0 2 2 2 0 0 2 1 1 0 2 0 0 0 0 0 0 0 2 0 0 2 0 2 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 10 A P 0 0 82 0, 0.0 6,-0.3 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 161.5 21.0 -18.3 -15.8 2 11 A Q + 0 0 178 4,-0.1 2,-0.2 5,-0.1 3,-0.0 0.849 360.0 77.1 -57.4 -44.0 24.3 -16.5 -15.0 3 12 A D S > S- 0 0 90 1,-0.1 4,-2.6 2,-0.0 3,-0.2 -0.532 81.0-137.2 -67.8 132.4 22.9 -14.6 -11.9 4 13 A L H > S+ 0 0 6 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.875 103.2 56.6 -58.5 -41.0 22.7 -17.0 -8.9 5 14 A S H > S+ 0 0 13 169,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.890 113.0 40.1 -58.7 -43.5 19.2 -15.6 -8.0 6 15 A E H > S+ 0 0 96 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.843 114.1 54.7 -72.1 -36.3 17.9 -16.5 -11.5 7 16 A A H X S+ 0 0 8 -4,-2.6 4,-1.9 -6,-0.3 -2,-0.2 0.863 109.6 46.8 -64.7 -39.0 19.8 -19.8 -11.4 8 17 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.866 112.3 50.2 -70.0 -39.2 18.2 -20.8 -8.1 9 18 A K H < S+ 0 0 112 -4,-1.5 4,-0.2 -5,-0.2 -2,-0.2 0.906 113.6 44.9 -65.8 -44.2 14.7 -19.9 -9.3 10 19 A E H >< S+ 0 0 115 -4,-2.3 3,-0.8 1,-0.2 4,-0.4 0.887 114.1 49.5 -65.6 -41.8 15.1 -21.9 -12.6 11 20 A A H 3< S+ 0 0 34 -4,-1.9 4,-0.3 1,-0.2 3,-0.2 0.792 116.0 40.9 -70.4 -31.2 16.6 -24.9 -10.8 12 21 A T T 3X S+ 0 0 5 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.255 84.8 102.7-102.3 10.7 13.9 -25.1 -8.1 13 22 A K H <> S+ 0 0 133 -3,-0.8 4,-1.2 -4,-0.2 -1,-0.2 0.916 85.0 42.5 -58.3 -48.0 11.0 -24.4 -10.5 14 23 A E H > S+ 0 0 141 -4,-0.4 4,-1.5 -3,-0.2 -1,-0.2 0.900 114.3 48.0 -69.8 -45.5 9.9 -28.0 -10.7 15 24 A V H > S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.781 107.2 58.2 -68.8 -26.8 10.3 -28.9 -6.9 16 25 A H H X S+ 0 0 73 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.863 103.9 52.0 -66.8 -38.2 8.4 -25.7 -6.1 17 26 A T H X S+ 0 0 80 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.865 105.9 55.0 -63.5 -39.2 5.5 -27.0 -8.2 18 27 A Q H X S+ 0 0 89 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.892 107.1 50.2 -58.1 -42.9 5.7 -30.2 -6.1 19 28 A A H >< S+ 0 0 27 -4,-1.6 3,-0.6 1,-0.2 6,-0.2 0.885 108.5 52.0 -63.9 -41.0 5.3 -28.2 -2.9 20 29 A E H 3< S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 111.7 47.4 -61.1 -36.5 2.3 -26.4 -4.4 21 30 A N H 3< S+ 0 0 96 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.584 85.3 123.4 -82.1 -12.7 0.7 -29.8 -5.2 22 31 A A S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.859 110.0 46.6 -56.1 -45.3 -1.6 -32.5 0.2 24 33 A F H > S+ 0 0 9 181,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.883 113.8 50.0 -63.5 -39.3 -1.1 -30.3 3.3 25 34 A M H > S+ 0 0 27 2,-0.2 4,-2.1 -6,-0.2 -2,-0.2 0.859 108.9 50.9 -69.4 -38.8 -0.5 -27.3 1.0 26 35 A R H X S+ 0 0 139 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.916 114.8 44.6 -59.5 -46.2 -3.7 -28.0 -1.0 27 36 A N H ><>S+ 0 0 67 -4,-2.1 5,-2.9 -5,-0.2 3,-0.8 0.919 112.9 49.4 -66.2 -47.2 -5.6 -28.2 2.3 28 37 A F H ><5S+ 0 0 3 -4,-2.9 3,-2.4 1,-0.2 5,-0.3 0.907 105.7 56.6 -59.7 -45.6 -4.1 -25.1 3.9 29 38 A Q H 3<5S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.708 109.6 47.2 -62.0 -21.7 -4.7 -23.0 0.8 30 39 A K T <<5S- 0 0 168 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.194 121.6-109.2-102.8 12.8 -8.4 -23.9 1.1 31 40 A G T < 5S+ 0 0 26 -3,-2.4 -3,-0.2 1,-0.1 -2,-0.1 0.761 77.5 134.1 67.2 29.7 -8.5 -23.1 4.8 32 41 A Q < + 0 0 132 -5,-2.9 -4,-0.2 -8,-0.1 2,-0.2 0.250 32.4 124.5 -93.2 12.4 -8.8 -26.8 5.8 33 42 A V - 0 0 15 -6,-0.3 2,-0.2 -5,-0.3 -9,-0.0 -0.480 47.6-151.2 -75.8 139.0 -6.1 -26.5 8.5 34 43 A T > - 0 0 80 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.634 30.3-107.2 -98.4 166.4 -6.8 -27.5 12.1 35 44 A R H > S+ 0 0 114 -2,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 122.7 50.4 -59.7 -42.2 -5.1 -26.0 15.2 36 45 A D H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 111.7 48.9 -62.2 -40.3 -3.1 -29.2 15.8 37 46 A G H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.894 114.1 44.9 -64.3 -43.2 -2.1 -29.1 12.1 38 47 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.881 111.7 52.2 -69.3 -40.5 -1.0 -25.4 12.4 39 48 A K H X S+ 0 0 47 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.876 106.6 55.3 -60.1 -40.1 0.8 -26.1 15.7 40 49 A L H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.862 109.7 45.5 -61.4 -40.6 2.7 -28.9 14.0 41 50 A V H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.932 112.1 50.2 -69.6 -47.7 3.9 -26.6 11.3 42 51 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.875 111.5 50.0 -57.2 -40.3 4.9 -23.8 13.7 43 52 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.912 111.5 48.5 -63.0 -45.0 6.8 -26.4 15.8 44 53 A S H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.935 110.7 49.8 -59.5 -50.5 8.6 -27.6 12.6 45 54 A L H X S+ 0 0 3 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.851 108.0 54.9 -59.5 -38.7 9.5 -24.1 11.5 46 55 A Y H X S+ 0 0 18 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.952 109.7 45.1 -57.9 -53.9 10.9 -23.4 15.0 47 56 A H H X S+ 0 0 30 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.888 115.1 48.9 -58.3 -42.7 13.2 -26.4 14.9 48 57 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.930 113.6 45.3 -63.1 -47.4 14.3 -25.5 11.3 49 58 A Y H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.800 107.9 57.2 -71.1 -30.7 15.0 -21.9 12.2 50 59 A V H X S+ 0 0 39 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.945 113.5 40.8 -59.7 -48.9 16.9 -22.7 15.4 51 60 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.930 118.6 45.6 -64.8 -48.9 19.3 -24.9 13.3 52 61 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.944 115.4 44.3 -61.1 -52.7 19.5 -22.4 10.4 53 62 A E H X S+ 0 0 21 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.670 110.7 56.4 -72.8 -17.6 20.0 -19.2 12.4 54 63 A E H X S+ 0 0 86 -4,-1.1 4,-1.2 -5,-0.2 -1,-0.2 0.904 111.7 42.4 -71.8 -45.8 22.5 -21.0 14.7 55 64 A E H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.815 110.8 56.5 -70.3 -33.0 24.6 -21.9 11.6 56 65 A I H < S+ 0 0 8 -4,-2.3 4,-0.4 1,-0.2 3,-0.2 0.934 107.3 48.5 -62.2 -47.1 24.1 -18.4 10.2 57 66 A E H < S+ 0 0 84 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.789 110.2 53.0 -62.9 -30.6 25.6 -16.9 13.4 58 67 A R H < S+ 0 0 123 -4,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.840 121.0 30.9 -70.9 -34.6 28.5 -19.3 13.1 59 68 A N S < S+ 0 0 20 -4,-1.6 7,-0.3 -3,-0.2 6,-0.3 0.148 83.7 112.2-112.8 17.2 29.2 -18.3 9.5 60 69 A K S S+ 0 0 66 -4,-0.4 -1,-0.1 -3,-0.3 9,-0.1 0.740 82.1 45.2 -65.6 -25.9 28.1 -14.6 9.6 61 70 A E S S+ 0 0 165 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.771 90.0 104.6 -85.9 -30.7 31.7 -13.3 9.2 62 71 A S S >> S- 0 0 37 -3,-0.2 4,-3.3 1,-0.1 3,-1.9 -0.214 76.1-128.3 -59.8 138.9 32.7 -15.7 6.4 63 72 A P T 34 S+ 0 0 109 0, 0.0 118,-0.4 0, 0.0 -1,-0.1 0.663 106.7 66.9 -59.9 -17.4 32.9 -14.3 2.8 64 73 A V T 34 S+ 0 0 40 1,-0.1 57,-0.3 116,-0.1 -4,-0.1 0.641 123.4 8.4 -79.2 -16.1 30.7 -17.2 1.7 65 74 A F T X4 S+ 0 0 2 -3,-1.9 3,-2.3 -6,-0.3 4,-0.3 0.590 100.3 94.0-132.4 -29.7 27.7 -15.9 3.7 66 75 A A G >< S+ 0 0 36 -4,-3.3 3,-1.4 -7,-0.3 -2,-0.1 0.761 83.9 57.6 -41.9 -42.2 28.5 -12.4 5.0 67 76 A P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.790 110.3 43.2 -63.9 -26.9 26.9 -10.5 2.0 68 77 A V G < S+ 0 0 3 -3,-2.3 2,-1.1 108,-0.1 -2,-0.2 0.176 83.0 122.9-101.7 17.3 23.5 -12.2 2.6 69 78 A Y < + 0 0 59 -3,-1.4 -3,-0.0 -4,-0.3 -4,-0.0 -0.699 22.2 152.7 -83.0 100.6 23.6 -11.7 6.4 70 79 A F > + 0 0 24 -2,-1.1 4,-1.7 1,-0.1 5,-0.4 -0.669 4.1 160.5-126.2 74.6 20.5 -9.7 7.3 71 80 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.918 73.7 46.1 -65.7 -44.6 19.7 -10.7 10.9 72 81 A E H 4 S+ 0 0 78 1,-0.2 90,-0.3 2,-0.2 -2,-0.1 0.871 117.3 42.9 -68.6 -38.5 17.5 -7.7 11.8 73 82 A E H 4 S+ 0 0 60 1,-0.1 89,-0.3 88,-0.1 -1,-0.2 0.820 129.9 20.4 -74.3 -32.4 15.4 -7.9 8.7 74 83 A L H < S+ 0 0 1 -4,-1.7 -2,-0.2 88,-0.1 -1,-0.1 0.735 77.3 125.1-116.1 -29.7 14.9 -11.7 8.5 75 84 A H < + 0 0 37 -4,-2.2 4,-0.2 -5,-0.4 -26,-0.0 -0.042 24.5 174.4 -49.6 135.5 15.5 -13.5 11.8 76 85 A R > + 0 0 3 -27,-0.1 4,-2.4 2,-0.1 5,-0.2 0.528 54.5 88.1-120.5 -14.2 12.5 -15.7 12.8 77 86 A K H > S+ 0 0 53 -28,-0.2 4,-2.2 1,-0.2 5,-0.2 0.935 91.9 46.9 -54.5 -53.8 13.6 -17.7 15.9 78 87 A A H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 113.6 48.5 -57.6 -44.1 12.5 -15.0 18.4 79 88 A A H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 78,-0.4 0.869 111.2 50.7 -63.6 -38.9 9.1 -14.6 16.6 80 89 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.836 106.7 53.5 -70.4 -35.6 8.6 -18.3 16.6 81 90 A E H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.915 108.8 50.5 -61.4 -45.2 9.3 -18.7 20.3 82 91 A Q H X S+ 0 0 9 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.898 113.7 45.1 -57.1 -44.9 6.7 -16.0 21.0 83 92 A D H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.872 110.8 51.5 -70.3 -40.7 4.1 -17.9 18.9 84 93 A L H X>S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.5 0.849 103.5 58.8 -68.5 -33.9 4.9 -21.3 20.3 85 94 A A H X5S+ 0 0 14 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.833 112.3 42.2 -59.8 -34.3 4.5 -20.0 23.9 86 95 A F H <5S+ 0 0 42 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.903 120.2 41.1 -75.2 -46.4 0.9 -19.0 22.8 87 96 A W H <5S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.877 131.5 22.5 -73.4 -41.0 0.2 -22.2 20.9 88 97 A Y H <5S- 0 0 43 -4,-3.4 3,-0.4 1,-0.3 -3,-0.2 0.496 104.9-132.2-106.8 -7.9 1.7 -24.8 23.2 89 98 A G ><< - 0 0 18 -5,-0.5 3,-1.5 -4,-0.5 -1,-0.3 -0.358 51.4 -34.9 88.3-168.7 1.6 -22.7 26.5 90 99 A P T 3 S+ 0 0 98 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.785 137.7 51.6 -60.4 -31.6 4.4 -22.1 29.1 91 100 A R T >> S+ 0 0 147 -3,-0.4 4,-1.8 1,-0.2 3,-1.6 0.120 73.8 127.3 -92.0 21.0 5.8 -25.6 28.7 92 101 A W H <> + 0 0 4 -3,-1.5 4,-2.3 1,-0.3 -1,-0.2 0.835 67.2 52.3 -49.0 -47.5 6.1 -25.2 24.9 93 102 A Q H 34 S+ 0 0 119 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.720 113.6 45.3 -67.4 -22.9 9.8 -26.2 24.6 94 103 A E H <4 S+ 0 0 135 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.818 119.9 37.7 -83.6 -36.0 9.2 -29.4 26.6 95 104 A V H < S+ 0 0 65 -4,-1.8 -2,-0.2 -3,-0.1 -3,-0.2 0.645 83.5 111.6 -98.1 -18.8 6.0 -30.5 24.8 96 105 A I S < S- 0 0 17 -4,-2.3 -56,-0.1 -5,-0.2 2,-0.1 -0.315 71.6-111.5 -60.6 137.2 6.6 -29.6 21.1 97 106 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.352 23.6-165.0 -70.6 150.0 7.0 -32.5 18.8 98 107 A Y - 0 0 100 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.793 20.8-175.8-135.5 90.9 10.3 -33.3 17.1 99 108 A T >> - 0 0 18 -2,-0.3 4,-2.7 1,-0.1 3,-0.8 -0.395 40.3 -99.6 -92.8 162.2 9.7 -35.8 14.3 100 109 A P H 3> S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.829 122.3 50.9 -44.1 -45.1 12.0 -37.7 11.8 101 110 A A H 3> S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 103,-0.1 0.814 111.6 47.1 -69.1 -32.4 11.3 -35.2 9.0 102 111 A M H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.906 112.4 51.5 -68.5 -43.8 12.1 -32.2 11.3 103 112 A Q H X S+ 0 0 88 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.887 108.1 50.6 -59.5 -44.4 15.3 -34.1 12.4 104 113 A R H X S+ 0 0 94 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.876 112.3 46.9 -63.4 -40.5 16.4 -34.7 8.8 105 114 A Y H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.943 115.0 45.5 -65.1 -50.9 16.0 -31.0 7.9 106 115 A V H X S+ 0 0 14 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.894 111.3 54.5 -58.3 -43.6 17.8 -29.9 11.1 107 116 A K H X S+ 0 0 126 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.928 109.9 45.6 -56.0 -50.0 20.5 -32.5 10.5 108 117 A R H X S+ 0 0 52 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 110.0 54.8 -63.4 -41.2 21.2 -31.2 7.0 109 118 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.905 111.5 43.8 -58.7 -44.9 21.2 -27.6 8.2 110 119 A H H X S+ 0 0 28 -4,-2.2 4,-1.9 2,-0.2 5,-0.3 0.864 111.7 54.3 -69.2 -37.7 23.9 -28.3 10.8 111 120 A E H X>S+ 0 0 64 -4,-2.2 4,-2.0 -5,-0.2 5,-0.8 0.910 112.8 43.5 -59.9 -45.0 25.9 -30.4 8.2 112 121 A V H X5S+ 0 0 0 -4,-2.6 4,-1.8 3,-0.2 7,-0.2 0.970 115.0 47.7 -64.7 -54.5 25.9 -27.5 5.8 113 122 A G 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38.3 -56.8 -43.1 19.1 -7.7 44.9 221 15 B E H > S+ 0 0 98 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.838 114.2 55.3 -76.4 -35.6 17.6 -6.7 48.3 222 16 B A H X S+ 0 0 10 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.860 109.1 47.1 -65.6 -38.5 19.5 -3.4 48.5 223 17 B L H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.874 112.7 50.0 -68.6 -39.6 18.0 -2.3 45.1 224 18 B K H < S+ 0 0 94 -4,-1.2 4,-0.2 -5,-0.3 -2,-0.2 0.900 113.9 44.7 -64.0 -42.6 14.6 -3.4 46.2 225 19 B E H < S+ 0 0 117 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.813 114.5 48.4 -73.8 -32.9 14.8 -1.5 49.5 226 20 B A H < S+ 0 0 33 -4,-1.7 4,-0.3 1,-0.2 3,-0.2 0.771 114.5 43.8 -79.2 -28.4 16.3 1.7 47.9 227 21 B T S X S+ 0 0 5 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.297 84.0 100.3-101.0 9.0 13.7 1.9 45.1 228 22 B K H > S+ 0 0 108 -3,-0.4 4,-1.3 -4,-0.2 -1,-0.2 0.899 84.3 44.5 -60.7 -45.6 10.7 1.2 47.3 229 23 B E H > S+ 0 0 153 -4,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.914 115.2 45.7 -68.8 -46.9 9.6 4.9 47.6 230 24 B V H > S+ 0 0 14 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.770 109.1 57.9 -68.8 -25.9 10.1 5.8 43.9 231 25 B H H X S+ 0 0 71 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.848 104.9 50.7 -67.8 -36.7 8.2 2.5 43.0 232 26 B T H X S+ 0 0 79 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.855 106.5 55.0 -67.1 -37.7 5.3 3.9 45.1 233 27 B Q H X S+ 0 0 87 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.890 107.2 50.6 -57.7 -42.6 5.5 7.1 43.1 234 28 B A H < S+ 0 0 30 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.870 108.2 51.8 -64.5 -39.4 5.2 5.0 40.0 235 29 B E H < S+ 0 0 101 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 111.7 47.3 -63.5 -35.4 2.1 3.3 41.4 236 30 B N H < S+ 0 0 94 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.580 84.5 122.5 -84.7 -12.5 0.6 6.7 42.2 237 31 B A S X S- 0 0 15 -4,-0.8 4,-2.7 -3,-0.4 5,-0.2 -0.206 70.3-122.8 -55.0 140.0 1.3 8.1 38.7 238 32 B E H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.869 110.2 46.7 -54.7 -46.7 -1.7 9.4 36.8 239 33 B F H > S+ 0 0 11 181,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 113.5 49.5 -64.8 -38.7 -1.2 7.2 33.7 240 34 B M H > S+ 0 0 27 2,-0.2 4,-2.4 -6,-0.2 -2,-0.2 0.884 109.7 51.2 -68.2 -41.1 -0.6 4.1 35.9 241 35 B R H X S+ 0 0 125 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.931 112.8 46.5 -56.8 -48.9 -3.7 4.8 37.9 242 36 B N H <>S+ 0 0 62 -4,-2.3 5,-3.1 1,-0.2 6,-0.3 0.894 112.0 49.9 -62.7 -42.8 -5.7 5.1 34.7 243 37 B F H ><5S+ 0 0 5 -4,-2.4 3,-2.2 3,-0.2 5,-0.2 0.897 103.0 60.6 -63.9 -43.1 -4.2 1.9 33.3 244 38 B Q H 3<5S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.8 41.1 -49.5 -41.9 -4.9 -0.1 36.5 245 39 B K T 3<5S- 0 0 122 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.153 121.7-107.2 -97.0 16.8 -8.7 0.6 36.0 246 40 B G T < 5S+ 0 0 28 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.844 74.6 138.6 62.3 39.6 -8.5 0.0 32.2 247 41 B Q < + 0 0 130 -5,-3.1 2,-0.2 -8,-0.1 -4,-0.2 0.157 32.6 124.0 -97.9 17.5 -8.8 3.7 31.2 248 42 B V - 0 0 15 -6,-0.3 2,-0.2 -5,-0.2 3,-0.0 -0.546 47.8-151.9 -80.8 139.9 -6.2 3.4 28.5 249 43 B T > - 0 0 83 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.661 31.0-107.9-100.1 165.2 -6.9 4.3 24.8 250 44 B R H > S+ 0 0 110 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.896 122.5 52.5 -59.0 -40.9 -5.2 2.7 21.8 251 45 B D H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.906 110.8 47.5 -58.1 -45.7 -3.3 6.0 21.3 252 46 B G H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.877 113.8 47.0 -63.2 -40.9 -2.1 5.9 24.9 253 47 B F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.2 0.903 110.4 51.8 -68.8 -43.8 -1.1 2.3 24.6 254 48 B K H X S+ 0 0 51 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.861 106.6 56.5 -56.7 -38.5 0.8 2.9 21.3 255 49 B L H X S+ 0 0 19 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.844 109.3 44.0 -64.5 -38.4 2.6 5.8 23.0 256 50 B V H X S+ 0 0 0 -4,-1.2 4,-3.1 -3,-0.2 -2,-0.2 0.887 112.0 52.3 -74.7 -41.3 4.0 3.5 25.7 257 51 B M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.890 110.7 48.4 -61.8 -41.0 4.9 0.7 23.3 258 52 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.905 112.2 49.7 -62.9 -44.1 6.8 3.2 21.2 259 53 B S H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.949 110.8 48.8 -57.7 -52.6 8.5 4.5 24.4 260 54 B L H X S+ 0 0 3 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.857 108.6 55.2 -57.7 -39.6 9.5 0.9 25.5 261 55 B Y H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.955 109.6 44.4 -57.2 -55.3 10.9 0.2 22.0 262 56 B H H X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.881 115.8 49.1 -58.1 -42.1 13.3 3.2 22.1 263 57 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.931 113.5 45.1 -63.0 -48.5 14.3 2.4 25.6 264 58 B Y H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 28,-0.2 0.796 108.4 57.3 -70.0 -30.0 14.9 -1.3 24.8 265 59 B V H X S+ 0 0 37 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.951 113.6 40.0 -60.4 -49.8 16.8 -0.5 21.6 266 60 B A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.916 117.8 47.9 -65.6 -46.6 19.3 1.6 23.7 267 61 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.940 114.8 43.4 -60.7 -51.2 19.4 -0.8 26.6 268 62 B E H X S+ 0 0 18 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.664 110.2 58.0 -76.4 -16.9 20.0 -3.9 24.5 269 63 B E H X S+ 0 0 87 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.2 0.923 111.7 41.0 -66.3 -50.2 22.5 -2.1 22.4 270 64 B E H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.832 111.9 55.7 -70.6 -35.1 24.6 -1.3 25.5 271 65 B I H < S+ 0 0 8 -4,-2.4 4,-0.3 2,-0.2 3,-0.3 0.936 108.4 48.1 -60.2 -47.8 24.0 -4.8 26.9 272 66 B E H < S+ 0 0 82 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.807 110.9 52.3 -62.7 -31.8 25.5 -6.3 23.6 273 67 B R H < S+ 0 0 126 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 121.8 30.6 -69.8 -33.8 28.4 -3.9 23.9 274 68 B N S >< S+ 0 0 19 -4,-1.6 3,-1.0 -3,-0.3 6,-0.3 0.121 84.2 116.9-113.5 18.6 29.1 -4.9 27.5 275 69 B K T 3 S+ 0 0 74 -3,-0.4 9,-0.2 -4,-0.3 -1,-0.1 0.760 82.2 36.7 -65.9 -31.1 28.0 -8.6 27.4 276 70 B E T 3 S+ 0 0 175 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.346 90.9 111.7-104.6 5.6 31.3 -10.3 28.1 277 71 B S S X> S- 0 0 35 -3,-1.0 4,-3.5 1,-0.1 3,-2.1 -0.596 75.4-125.7 -76.1 138.5 32.5 -7.6 30.6 278 72 B P T 34 S+ 0 0 109 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.729 107.7 65.2 -56.9 -23.3 32.8 -8.9 34.2 279 73 B V T 34 S+ 0 0 39 1,-0.1 57,-0.3 2,-0.1 -4,-0.1 0.618 124.6 9.1 -76.6 -13.5 30.6 -5.9 35.3 280 74 B F T X4 S+ 0 0 2 -3,-2.1 3,-1.8 -6,-0.3 4,-0.3 0.568 99.9 94.4-134.4 -27.6 27.6 -7.3 33.3 281 75 B A G >< S+ 0 0 37 -4,-3.5 3,-1.5 1,-0.3 -2,-0.1 0.781 83.3 57.8 -43.7 -43.7 28.4 -10.8 32.1 282 76 B P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.842 110.8 42.6 -58.8 -34.2 26.7 -12.6 35.1 283 77 B V G < S+ 0 0 2 -3,-1.8 2,-1.0 108,-0.2 -2,-0.2 0.188 83.9 121.6 -97.9 16.2 23.3 -10.9 34.4 284 78 B Y < + 0 0 55 -3,-1.5 -3,-0.0 -4,-0.3 -4,-0.0 -0.718 23.2 153.4 -82.9 103.5 23.6 -11.4 30.6 285 79 B F > + 0 0 25 -2,-1.0 4,-1.8 1,-0.1 5,-0.4 -0.668 5.3 163.0-128.8 75.1 20.5 -13.5 29.7 286 80 B P H > S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.930 73.5 45.4 -62.9 -49.2 19.8 -12.5 26.1 287 81 B E H 4 S+ 0 0 77 1,-0.2 90,-0.3 2,-0.2 -2,-0.1 0.873 117.5 43.4 -65.4 -39.5 17.4 -15.4 25.1 288 82 B E H 4 S+ 0 0 59 1,-0.1 89,-0.3 89,-0.1 -1,-0.2 0.841 128.9 21.3 -73.6 -34.7 15.3 -15.3 28.3 289 83 B L H < S+ 0 0 2 -4,-1.8 -2,-0.2 88,-0.1 -1,-0.1 0.744 77.6 124.5-112.3 -29.8 14.9 -11.5 28.5 290 84 B H < + 0 0 38 -4,-2.3 4,-0.2 -5,-0.4 -26,-0.0 -0.045 24.8 173.5 -49.6 134.1 15.5 -9.6 25.2 291 85 B R > + 0 0 3 -27,-0.1 4,-2.5 2,-0.1 5,-0.2 0.546 54.3 88.0-119.5 -16.0 12.5 -7.5 24.2 292 86 B K H > S+ 0 0 58 -28,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 91.7 47.2 -53.7 -52.9 13.6 -5.5 21.1 293 87 B A H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 113.6 48.6 -57.1 -46.2 12.5 -8.2 18.6 294 88 B A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 78,-0.4 0.870 111.3 49.9 -62.1 -40.5 9.1 -8.6 20.4 295 89 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.830 107.9 53.0 -69.6 -35.1 8.5 -4.8 20.4 296 90 B E H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.921 109.6 49.8 -61.9 -46.3 9.4 -4.5 16.7 297 91 B Q H X S+ 0 0 8 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.903 114.2 45.3 -55.5 -45.8 6.8 -7.2 16.0 298 92 B D H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 0.870 110.6 51.5 -69.9 -40.4 4.2 -5.3 18.1 299 93 B L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.4 0.829 101.9 60.7 -69.3 -32.6 4.9 -1.8 16.7 300 94 B A H X S+ 0 0 14 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.831 112.1 41.2 -59.6 -33.4 4.5 -3.2 13.1 301 95 B F H < S+ 0 0 49 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.911 119.2 42.6 -76.6 -48.5 0.9 -4.1 14.2 302 96 B W H < S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.838 131.7 21.9 -71.3 -35.3 0.2 -0.9 16.2 303 97 B Y H < S- 0 0 44 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.445 104.5-130.7-112.6 -4.4 1.7 1.6 13.7 304 98 B G >< - 0 0 19 -4,-0.5 3,-1.5 -5,-0.4 -1,-0.3 -0.294 52.8 -36.6 82.8-170.3 1.6 -0.4 10.5 305 99 B P T 3 S+ 0 0 98 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.753 136.7 53.7 -60.4 -30.0 4.4 -1.0 7.9 306 100 B R T >> S+ 0 0 154 -3,-0.4 4,-1.7 1,-0.2 3,-1.5 0.108 72.7 125.4 -92.2 21.4 5.9 2.5 8.3 307 101 B W H <> + 0 0 3 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.834 66.4 54.2 -52.5 -43.9 6.2 2.1 12.1 308 102 B Q H 34 S+ 0 0 115 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.718 114.4 42.5 -68.4 -20.8 9.9 3.0 12.4 309 103 B E H <4 S+ 0 0 134 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.758 120.7 39.0 -89.7 -30.7 9.3 6.3 10.5 310 104 B V H < S+ 0 0 61 -4,-1.7 -2,-0.2 -3,-0.1 -3,-0.2 0.605 82.6 111.0-103.4 -15.8 6.1 7.3 12.2 311 105 B I S < S- 0 0 17 -4,-2.2 2,-0.1 -5,-0.2 -56,-0.1 -0.355 73.0-109.9 -61.5 138.8 6.6 6.4 15.9 312 106 B P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.371 24.4-164.9 -70.5 149.8 6.9 9.4 18.2 313 107 B Y - 0 0 101 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.738 19.7-177.0-135.6 85.9 10.3 10.2 19.9 314 108 B T >> - 0 0 20 -2,-0.3 4,-2.5 1,-0.1 3,-0.8 -0.343 40.5-100.7 -87.0 162.0 9.5 12.7 22.7 315 109 B P H 3> S+ 0 0 76 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.823 121.1 52.3 -48.3 -42.0 12.0 14.5 25.1 316 110 B A H 3> S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 103,-0.1 0.809 111.0 47.0 -69.4 -31.6 11.3 12.1 28.0 317 111 B M H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.911 112.9 50.7 -68.5 -44.9 12.1 9.1 25.7 318 112 B Q H X S+ 0 0 86 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.889 109.0 50.5 -58.6 -44.6 15.2 10.9 24.5 319 113 B R H X S+ 0 0 102 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.868 112.2 47.0 -64.0 -39.7 16.3 11.6 28.1 320 114 B Y H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.937 115.7 45.0 -65.4 -49.8 15.9 7.9 29.1 321 115 B V H X S+ 0 0 15 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.897 111.0 54.6 -60.1 -43.8 17.7 6.8 25.9 322 116 B K H X S+ 0 0 126 -4,-3.2 4,-1.9 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