==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-APR-08 3CZY . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.JIA,M.N.RAHMAN . 430 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 75.3 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 . 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 . 259 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.8 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 2 3 0 3 0 2 0 0 0 0 0 0 0 0 2 0 0 0 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 10 A P 0 0 81 0, 0.0 6,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0-167.7 20.6 -17.0 -16.1 2 11 A Q + 0 0 172 4,-0.1 2,-0.1 5,-0.1 5,-0.0 0.926 360.0 79.9 -59.5 -51.2 23.9 -15.4 -15.1 3 12 A D S > S- 0 0 87 1,-0.1 4,-2.7 2,-0.0 3,-0.3 -0.373 81.0-135.1 -60.9 133.5 22.7 -13.7 -11.9 4 13 A L H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.886 106.1 57.8 -56.1 -40.2 22.5 -16.2 -9.0 5 14 A S H > S+ 0 0 12 169,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.885 110.8 42.1 -58.9 -41.5 19.1 -14.7 -8.1 6 15 A E H > S+ 0 0 94 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.897 113.7 51.7 -71.2 -43.2 17.8 -15.6 -11.6 7 16 A A H X S+ 0 0 14 -4,-2.7 4,-2.4 -6,-0.2 -2,-0.2 0.866 110.8 48.8 -60.6 -40.0 19.5 -19.0 -11.6 8 17 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.913 111.6 48.4 -66.2 -43.6 18.0 -19.9 -8.2 9 18 A K H < S+ 0 0 129 -4,-1.6 4,-0.4 -5,-0.2 -2,-0.2 0.919 116.0 43.8 -65.2 -42.1 14.5 -18.9 -9.3 10 19 A E H >< S+ 0 0 136 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.927 113.2 50.3 -67.1 -46.7 14.7 -20.9 -12.5 11 20 A A H 3< S+ 0 0 32 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.766 114.5 43.7 -65.1 -30.0 16.3 -24.0 -11.0 12 21 A T T 3X S+ 0 0 4 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.406 82.6 98.9 -99.8 2.3 13.7 -24.2 -8.2 13 22 A K H <> S+ 0 0 154 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.2 0.909 85.1 48.2 -54.8 -44.6 10.6 -23.6 -10.3 14 23 A E H > S+ 0 0 144 -4,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.961 114.2 43.8 -64.5 -52.2 9.8 -27.3 -10.6 15 24 A V H > S+ 0 0 8 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.842 110.5 56.8 -63.0 -31.5 10.2 -28.1 -6.9 16 25 A H H X S+ 0 0 67 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.923 106.2 50.6 -63.6 -40.3 8.2 -24.9 -6.1 17 26 A T H X S+ 0 0 66 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.907 107.6 53.0 -60.7 -42.2 5.4 -26.3 -8.2 18 27 A Q H X S+ 0 0 82 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.906 108.4 50.7 -56.9 -44.1 5.7 -29.5 -6.2 19 28 A A H >< S+ 0 0 17 -4,-2.3 3,-1.1 1,-0.2 6,-0.3 0.906 106.5 53.4 -61.9 -42.1 5.3 -27.5 -3.0 20 29 A E H 3< S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 110.1 50.3 -62.0 -29.6 2.2 -25.7 -4.3 21 30 A N H 3< S+ 0 0 106 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.559 82.2 120.2 -86.6 -10.1 0.7 -29.2 -5.0 22 31 A A S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 110.2 51.4 -50.9 -49.2 -1.7 -31.7 0.3 24 33 A F H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 113.1 45.1 -58.7 -42.5 -0.8 -29.6 3.4 25 34 A M H > S+ 0 0 20 -6,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.874 111.1 51.4 -72.0 -39.9 -0.3 -26.5 1.2 26 35 A R H X S+ 0 0 114 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.916 114.3 45.8 -56.3 -46.8 -3.5 -27.0 -0.8 27 36 A N H <>S+ 0 0 51 -4,-2.6 5,-2.8 -5,-0.2 6,-0.4 0.927 112.7 50.0 -62.9 -45.0 -5.3 -27.3 2.5 28 37 A F H ><5S+ 0 0 4 -4,-2.5 3,-1.9 1,-0.2 5,-0.3 0.942 109.3 50.1 -61.4 -47.8 -3.6 -24.3 4.0 29 38 A Q H 3<5S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 109.0 53.5 -63.5 -28.1 -4.4 -22.1 1.0 30 39 A K T 3<5S- 0 0 123 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.222 119.8-107.4 -92.5 14.3 -8.0 -23.1 1.1 31 40 A G T < 5S+ 0 0 28 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.753 81.7 129.5 70.1 26.6 -8.4 -22.1 4.8 32 41 A Q < + 0 0 126 -5,-2.8 -4,-0.2 -6,-0.2 2,-0.2 0.416 30.8 118.2 -94.7 1.8 -8.5 -25.8 5.9 33 42 A V - 0 0 15 -6,-0.4 2,-0.2 -5,-0.3 3,-0.0 -0.456 50.7-151.9 -72.3 137.2 -5.7 -25.5 8.6 34 43 A T > - 0 0 80 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.548 32.5-102.3 -95.2 169.3 -6.8 -26.3 12.2 35 44 A R H > S+ 0 0 112 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.935 125.6 53.0 -56.6 -44.7 -5.3 -24.9 15.3 36 45 A D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 111.6 44.9 -56.2 -44.8 -3.5 -28.2 15.8 37 46 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 113.7 49.3 -65.9 -43.1 -2.1 -28.0 12.2 38 47 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.919 108.8 52.6 -64.6 -43.1 -1.1 -24.4 12.6 39 48 A K H X S+ 0 0 51 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.901 107.8 51.9 -57.5 -43.7 0.7 -25.1 15.9 40 49 A L H X S+ 0 0 23 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.898 110.0 49.4 -58.8 -44.5 2.7 -27.9 14.2 41 50 A V H X S+ 0 0 4 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.940 111.8 48.0 -58.7 -50.9 3.8 -25.5 11.5 42 51 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.895 111.6 49.3 -59.9 -42.8 4.8 -22.8 14.0 43 52 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.924 111.6 50.4 -61.6 -44.7 6.8 -25.4 16.0 44 53 A S H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.941 110.0 49.6 -56.4 -52.2 8.5 -26.6 12.8 45 54 A L H X S+ 0 0 4 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.879 108.3 54.5 -56.2 -41.4 9.4 -23.0 11.8 46 55 A Y H X S+ 0 0 21 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.958 109.9 44.9 -59.0 -51.2 10.9 -22.4 15.2 47 56 A H H X S+ 0 0 29 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.915 115.9 48.2 -59.1 -40.9 13.2 -25.4 15.1 48 57 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.941 114.0 44.3 -65.8 -49.2 14.2 -24.5 11.5 49 58 A Y H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.854 107.8 58.6 -68.3 -34.5 14.9 -20.8 12.2 50 59 A V H X S+ 0 0 29 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.966 113.8 39.7 -54.8 -49.3 16.8 -21.6 15.5 51 60 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.930 117.3 47.8 -69.0 -45.0 19.2 -23.7 13.4 52 61 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.944 114.6 45.4 -59.2 -47.6 19.4 -21.4 10.4 53 62 A E H X S+ 0 0 23 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.823 109.8 54.5 -74.3 -28.3 19.9 -18.3 12.5 54 63 A E H X S+ 0 0 95 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.937 112.0 45.5 -63.8 -45.2 22.6 -20.0 14.7 55 64 A E H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.869 110.2 53.2 -68.9 -35.3 24.4 -20.9 11.5 56 65 A I H X S+ 0 0 12 -4,-2.4 4,-0.7 2,-0.2 3,-0.3 0.934 109.4 49.2 -61.0 -45.5 24.0 -17.4 10.1 57 66 A E H >< S+ 0 0 87 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.896 109.1 52.9 -62.8 -38.7 25.5 -15.9 13.3 58 67 A R H 3< S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.857 121.1 31.7 -59.8 -35.2 28.4 -18.4 13.1 59 68 A N H >< S+ 0 0 20 -4,-1.5 3,-1.6 -3,-0.3 7,-0.3 0.257 80.8 113.3-112.3 9.6 29.2 -17.3 9.5 60 69 A K T << S+ 0 0 64 -4,-0.7 -1,-0.2 -3,-0.7 9,-0.2 0.708 81.1 46.9 -63.0 -22.9 28.2 -13.6 9.4 61 70 A E T 3 S+ 0 0 166 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.545 88.5 106.6 -93.9 -11.3 31.8 -12.3 8.9 62 71 A S S X> S- 0 0 34 -3,-1.6 4,-3.5 1,-0.1 3,-2.0 -0.466 74.7-130.4 -72.2 140.5 32.7 -14.8 6.2 63 72 A P T 34 S+ 0 0 109 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.764 107.1 64.6 -58.0 -21.8 32.9 -13.5 2.6 64 73 A V T 34 S+ 0 0 43 1,-0.1 57,-0.3 2,-0.1 -4,-0.1 0.598 123.9 10.5 -80.3 -10.3 30.7 -16.4 1.6 65 74 A F T X4 S+ 0 0 2 -3,-2.0 3,-2.1 -6,-0.3 4,-0.2 0.576 99.9 90.6-133.1 -30.8 27.8 -15.0 3.6 66 75 A A G >< S+ 0 0 39 -4,-3.5 3,-2.1 -7,-0.3 -2,-0.1 0.822 83.2 61.7 -45.2 -44.0 28.4 -11.5 4.9 67 76 A P G 3 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.811 109.7 41.6 -54.7 -31.3 26.9 -9.8 1.8 68 77 A V G < S+ 0 0 3 -3,-2.1 2,-0.9 108,-0.1 -2,-0.2 0.164 82.7 122.6-103.4 19.5 23.5 -11.4 2.6 69 78 A Y < + 0 0 59 -3,-2.1 -3,-0.0 -4,-0.2 -4,-0.0 -0.732 21.8 153.1 -85.0 108.6 23.6 -10.8 6.4 70 79 A F > + 0 0 23 -2,-0.9 4,-1.9 1,-0.1 5,-0.3 -0.636 6.0 163.1-133.3 69.5 20.5 -8.8 7.2 71 80 A P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.911 73.1 45.1 -64.1 -44.9 19.8 -9.7 10.9 72 81 A E H 4 S+ 0 0 78 1,-0.2 90,-0.3 2,-0.2 -2,-0.0 0.902 116.8 45.4 -66.3 -38.7 17.5 -6.8 11.8 73 82 A E H 4 S+ 0 0 64 1,-0.1 89,-0.3 88,-0.1 -1,-0.2 0.855 127.4 21.8 -71.0 -36.1 15.4 -7.0 8.6 74 83 A L H < S+ 0 0 4 -4,-1.9 -2,-0.2 88,-0.1 -1,-0.1 0.683 77.4 127.6-110.8 -23.7 14.9 -10.8 8.5 75 84 A H < + 0 0 43 -4,-2.2 4,-0.1 -5,-0.3 -26,-0.0 -0.102 22.5 171.3 -57.2 135.3 15.4 -12.5 11.9 76 85 A R > + 0 0 4 -27,-0.1 4,-2.5 2,-0.1 5,-0.2 0.536 52.9 87.8-118.1 -14.6 12.4 -14.7 12.8 77 86 A K H > S+ 0 0 56 1,-0.2 4,-2.3 -28,-0.2 5,-0.2 0.930 91.9 47.2 -56.8 -48.8 13.4 -16.7 15.9 78 87 A A H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 111.4 50.6 -60.9 -41.0 12.3 -14.0 18.4 79 88 A A H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 78,-0.3 0.912 111.3 49.3 -64.1 -39.1 8.9 -13.6 16.6 80 89 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.866 107.6 53.7 -70.4 -33.3 8.4 -17.4 16.7 81 90 A E H X S+ 0 0 8 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.935 109.5 49.0 -62.4 -46.0 9.3 -17.5 20.5 82 91 A Q H X S+ 0 0 10 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.941 114.5 45.5 -55.1 -48.2 6.6 -14.8 21.1 83 92 A D H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 3,-0.3 0.905 110.6 51.5 -68.0 -39.8 4.1 -16.9 19.0 84 93 A L H X>S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.5 0.848 103.3 58.6 -68.5 -33.3 4.9 -20.2 20.6 85 94 A A H X5S+ 0 0 14 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.883 112.5 42.7 -61.4 -34.4 4.4 -18.8 24.1 86 95 A F H <5S+ 0 0 48 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.946 119.1 41.5 -69.1 -52.4 0.9 -17.9 22.9 87 96 A W H <5S+ 0 0 18 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.806 132.4 20.4 -71.3 -33.2 0.1 -21.2 21.1 88 97 A Y H <5S- 0 0 49 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.449 104.3-129.7-118.7 -4.5 1.6 -23.6 23.6 89 98 A G ><< - 0 0 18 -4,-0.8 3,-1.9 -5,-0.5 -1,-0.2 -0.213 51.4 -35.6 85.8-172.4 1.7 -21.6 26.8 90 99 A P T 3 S+ 0 0 99 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.760 136.0 52.3 -58.2 -28.0 4.5 -20.8 29.4 91 100 A R T >> S+ 0 0 156 -3,-0.4 3,-1.5 1,-0.2 4,-1.4 0.150 72.1 125.1 -93.8 20.6 6.0 -24.3 29.1 92 101 A W H <> + 0 0 3 -3,-1.9 4,-2.3 1,-0.3 3,-0.4 0.827 66.9 56.8 -52.3 -40.2 6.2 -24.1 25.3 93 102 A Q H 34 S+ 0 0 119 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.845 113.0 42.0 -64.9 -29.2 9.9 -24.9 25.1 94 103 A E H <4 S+ 0 0 127 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.693 121.1 39.3 -84.4 -25.1 9.3 -28.2 27.0 95 104 A V H < S+ 0 0 81 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.632 80.8 111.1-107.8 -17.1 6.1 -29.3 25.1 96 105 A I S < S- 0 0 18 -4,-2.3 2,-0.1 -5,-0.2 -56,-0.1 -0.329 71.0-111.4 -62.1 142.5 6.6 -28.4 21.5 97 106 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.374 24.8-167.5 -70.6 151.4 6.9 -31.4 19.1 98 107 A Y - 0 0 105 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.820 18.9-175.7-140.2 97.6 10.2 -32.2 17.4 99 108 A T > - 0 0 16 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.392 39.7-100.2 -94.0 167.1 9.6 -34.8 14.7 100 109 A P H > S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.865 121.2 52.0 -56.5 -38.4 11.9 -36.6 12.4 101 110 A A H > S+ 0 0 3 2,-0.2 4,-1.3 1,-0.2 103,-0.2 0.863 111.6 47.9 -70.2 -32.6 11.2 -34.4 9.3 102 111 A M H > S+ 0 0 0 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 111.7 51.0 -64.9 -43.7 12.0 -31.3 11.5 103 112 A Q H X S+ 0 0 107 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.868 105.8 54.2 -62.4 -37.5 15.1 -33.0 12.7 104 113 A R H X S+ 0 0 132 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.868 110.2 47.0 -65.7 -37.6 16.3 -33.8 9.1 105 114 A Y H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.941 113.9 47.3 -69.4 -47.3 15.9 -30.1 8.1 106 115 A V H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 110.3 53.9 -57.2 -45.6 17.8 -28.9 11.3 107 116 A K H X S+ 0 0 130 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.923 109.3 47.1 -57.2 -47.4 20.5 -31.5 10.7 108 117 A R H X S+ 0 0 46 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.902 108.8 55.1 -63.8 -40.3 21.1 -30.3 7.1 109 118 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.914 110.8 45.0 -59.7 -43.0 21.2 -26.6 8.3 110 119 A H H X S+ 0 0 27 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.883 110.7 53.2 -69.3 -39.4 24.0 -27.4 10.8 111 120 A E H X>S+ 0 0 75 -4,-2.2 4,-2.5 -5,-0.2 5,-0.7 0.946 113.8 44.1 -56.8 -48.2 25.9 -29.5 8.3 112 121 A V H X5S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 7,-0.2 0.955 115.5 46.1 -64.3 -48.2 25.9 -26.6 5.9 113 122 A G H 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-4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.924 111.0 46.5 -65.0 -41.8 4.1 -34.5 4.0 207 216 A E H X S+ 0 0 31 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.923 111.7 50.9 -64.0 -44.5 5.0 -35.6 7.6 208 217 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.936 109.2 50.5 -61.4 -43.0 2.8 -32.9 9.1 209 218 A Q H X S+ 0 0 27 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.902 110.5 50.6 -59.3 -41.6 -0.2 -34.0 7.0 210 219 A E H >X S+ 0 0 143 -4,-2.0 3,-0.8 1,-0.2 4,-0.7 0.916 109.1 50.6 -62.9 -43.8 0.4 -37.6 8.1 211 220 A L H >< S+ 0 0 80 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.835 107.3 55.4 -61.8 -33.3 0.5 -36.6 11.8 212 221 A L H 3< S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.651 97.8 60.6 -80.0 -14.5 -2.8 -34.7 11.4 213 222 A T H << 0 0 103 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.692 360.0 360.0 -81.8 -18.4 -4.7 -37.7 10.0 214 223 A H << 0 0 218 -4,-0.7 -2,-0.1 -3,-0.5 -3,-0.1 0.730 360.0 360.0 -88.7 360.0 -3.9 -39.5 13.3 215 !* 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 0.0 216 10 B P 0 0 74 0, 0.0 6,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0-172.0 20.5 -4.2 53.4 217 11 B Q + 0 0 173 4,-0.1 5,-0.0 5,-0.1 0, 0.0 0.926 360.0 86.4 -59.3 -51.4 24.0 -5.3 52.4 218 12 B D S > S- 0 0 90 1,-0.1 4,-2.7 2,-0.1 3,-0.3 -0.275 80.9-133.9 -54.3 131.8 22.8 -7.2 49.2 219 13 B L H > S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.884 105.8 57.4 -53.7 -42.8 22.6 -4.8 46.3 220 14 B S H > S+ 0 0 11 169,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.882 111.3 41.9 -58.4 -40.7 19.2 -6.2 45.4 221 15 B E H > S+ 0 0 97 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.910 114.0 51.8 -72.3 -43.0 17.8 -5.4 48.8 222 16 B A H X S+ 0 0 9 -4,-2.7 4,-2.6 -6,-0.2 -2,-0.2 0.884 110.3 49.3 -58.8 -42.8 19.6 -2.0 48.9 223 17 B L H X S+ 0 0 0 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.922 111.4 48.2 -63.0 -45.1 18.0 -1.1 45.5 224 18 B K H < S+ 0 0 128 -4,-1.6 4,-0.5 -5,-0.2 -2,-0.2 0.942 116.1 43.8 -63.2 -45.5 14.5 -2.1 46.5 225 19 B E H >< S+ 0 0 131 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.915 113.1 50.3 -64.8 -44.8 14.8 -0.1 49.8 226 20 B A H 3< S+ 0 0 32 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.754 114.4 44.3 -67.9 -27.3 16.4 3.0 48.2 227 21 B T T 3X S+ 0 0 4 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.382 82.5 99.0-101.0 3.8 13.7 3.2 45.5 228 22 B K H <> S+ 0 0 153 -3,-1.0 4,-2.2 -4,-0.5 -1,-0.2 0.911 84.7 47.9 -56.3 -46.4 10.6 2.6 47.6 229 23 B E H > S+ 0 0 137 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.959 114.4 43.8 -63.5 -51.7 9.8 6.3 47.9 230 24 B V H > S+ 0 0 8 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.833 110.7 56.8 -64.2 -30.9 10.2 7.1 44.1 231 25 B H H X S+ 0 0 66 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.933 106.4 49.9 -62.9 -42.3 8.3 3.9 43.3 232 26 B T H X S+ 0 0 66 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.902 108.1 53.4 -59.8 -42.1 5.4 5.2 45.4 233 27 B Q H X S+ 0 0 81 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.910 108.3 50.5 -58.3 -43.1 5.7 8.5 43.5 234 28 B A H >< S+ 0 0 25 -4,-2.2 3,-1.1 1,-0.2 6,-0.3 0.914 106.1 54.2 -63.1 -42.0 5.3 6.5 40.2 235 29 B E H 3< S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 109.7 50.6 -60.4 -28.0 2.2 4.7 41.6 236 30 B N H 3< S+ 0 0 101 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.595 81.4 119.7 -86.3 -12.9 0.8 8.2 42.2 237 31 B A S S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 110.6 51.6 -50.6 -49.3 -1.7 10.7 36.9 239 33 B F H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 112.9 44.9 -58.2 -41.1 -0.8 8.6 33.9 240 34 B M H > S+ 0 0 22 -3,-0.3 4,-2.7 -6,-0.3 -2,-0.2 0.886 111.5 51.2 -72.9 -40.8 -0.3 5.5 36.1 241 35 B R H X S+ 0 0 108 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.907 114.5 45.9 -57.8 -44.3 -3.5 6.0 38.1 242 36 B N H <>S+ 0 0 52 -4,-2.6 5,-2.8 -5,-0.3 6,-0.4 0.929 112.4 50.2 -65.1 -44.1 -5.3 6.4 34.7 243 37 B F H ><5S+ 0 0 5 -4,-2.4 3,-1.8 1,-0.2 5,-0.3 0.935 109.5 50.1 -60.5 -46.7 -3.6 3.3 33.3 244 38 B Q H 3<5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.797 108.8 52.9 -64.5 -30.5 -4.4 1.1 36.3 245 39 B K T 3<5S- 0 0 124 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.215 119.9-107.8 -91.4 13.3 -8.0 2.1 36.1 246 40 B G T < 5S+ 0 0 28 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.751 81.8 128.9 70.3 27.1 -8.3 1.2 32.4 247 41 B Q < + 0 0 129 -5,-2.8 -4,-0.2 -6,-0.2 2,-0.2 0.428 31.3 115.5 -95.6 -0.0 -8.5 4.8 31.3 248 42 B V - 0 0 13 -6,-0.4 2,-0.2 -5,-0.3 -9,-0.0 -0.470 52.9-149.4 -72.9 140.1 -5.7 4.7 28.7 249 43 B T > - 0 0 75 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.510 32.0-100.6 -96.2 170.9 -6.8 5.3 25.1 250 44 B R H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.922 126.3 52.9 -57.0 -41.8 -5.2 3.8 21.9 251 45 B D H > S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 111.6 44.3 -60.9 -43.3 -3.5 7.2 21.5 252 46 B G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 114.1 49.9 -65.3 -43.2 -2.1 7.0 25.0 253 47 B F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.927 108.7 52.4 -63.9 -42.9 -1.1 3.4 24.7 254 48 B K H X S+ 0 0 50 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.892 108.1 51.6 -59.3 -41.2 0.7 4.1 21.3 255 49 B L H X S+ 0 0 24 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.896 109.8 49.9 -60.7 -43.0 2.7 6.9 23.0 256 50 B V H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.943 111.7 47.9 -60.1 -49.1 3.7 4.5 25.8 257 51 B M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.899 111.2 49.6 -62.8 -41.9 4.8 1.9 23.3 258 52 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 111.6 50.4 -60.9 -43.7 6.8 4.4 21.2 259 53 B S H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.937 109.7 49.7 -57.8 -50.1 8.5 5.6 24.4 260 54 B L H X S+ 0 0 3 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.885 108.3 54.6 -58.9 -41.3 9.4 2.0 25.5 261 55 B Y H X S+ 0 0 20 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.959 109.6 45.2 -58.0 -51.9 10.9 1.4 22.0 262 56 B H H X S+ 0 0 29 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.924 115.9 47.8 -57.8 -42.7 13.2 4.4 22.2 263 57 B I H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.943 114.1 44.5 -64.8 -49.2 14.2 3.5 25.7 264 58 B Y H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.843 108.0 58.5 -69.0 -35.4 14.9 -0.2 25.0 265 59 B V H X S+ 0 0 30 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.964 114.1 39.2 -53.1 -50.0 16.8 0.6 21.8 266 60 B A H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.928 117.5 48.0 -68.9 -45.3 19.2 2.7 23.8 267 61 B L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.944 114.4 45.4 -59.2 -48.9 19.4 0.4 26.8 268 62 B E H X S+ 0 0 22 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.817 109.9 54.8 -72.5 -27.8 19.9 -2.7 24.7 269 63 B E H X S+ 0 0 97 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.929 112.0 44.8 -63.7 -45.7 22.6 -1.0 22.6 270 64 B E H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.863 110.6 53.4 -71.0 -33.8 24.5 -0.1 25.7 271 65 B I H X S+ 0 0 11 -4,-2.4 4,-0.8 2,-0.2 3,-0.3 0.935 109.3 49.6 -61.3 -45.7 24.0 -3.6 27.2 272 66 B E H >< S+ 0 0 87 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.892 109.1 52.3 -61.7 -37.6 25.5 -5.0 23.9 273 67 B R H 3< S+ 0 0 128 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.859 120.8 32.7 -63.0 -34.6 28.5 -2.6 24.1 274 68 B N H >< S+ 0 0 19 -4,-1.5 3,-1.5 -3,-0.3 7,-0.3 0.269 80.6 113.1-110.9 8.2 29.2 -3.7 27.7 275 69 B K T << S+ 0 0 65 -4,-0.8 -1,-0.2 -3,-0.6 9,-0.1 0.700 80.8 46.8 -60.8 -22.5 28.2 -7.3 27.8 276 70 B E T 3 S+ 0 0 166 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.556 88.6 105.6 -95.3 -11.1 31.8 -8.6 28.3 277 71 B S S X> S- 0 0 35 -3,-1.5 4,-3.5 1,-0.1 3,-2.0 -0.478 75.0-130.4 -71.3 138.3 32.7 -6.2 31.1 278 72 B P T 34 S+ 0 0 101 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.742 107.1 65.3 -57.1 -20.1 32.9 -7.5 34.7 279 73 B V T 34 S+ 0 0 44 1,-0.1 57,-0.3 2,-0.1 -4,-0.1 0.632 123.8 9.9 -81.2 -11.1 30.7 -4.6 35.7 280 74 B F T X4 S+ 0 0 1 -3,-2.0 3,-2.3 -6,-0.3 4,-0.2 0.597 100.8 89.4-131.6 -32.7 27.8 -5.9 33.6 281 75 B A G >< S+ 0 0 37 -4,-3.5 3,-2.0 -7,-0.3 -2,-0.1 0.804 83.3 62.5 -45.2 -42.1 28.4 -9.5 32.3 282 76 B P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.822 109.6 41.3 -54.8 -30.5 26.9 -11.2 35.4 283 77 B V G < S+ 0 0 3 -3,-2.3 2,-0.9 108,-0.1 -2,-0.2 0.160 82.9 123.1-104.0 18.5 23.5 -9.6 34.7 284 78 B Y < + 0 0 58 -3,-2.0 -3,-0.0 -4,-0.2 -4,-0.0 -0.729 21.5 153.3 -83.5 106.8 23.6 -10.2 30.9 285 79 B F > + 0 0 22 -2,-0.9 4,-1.9 1,-0.1 5,-0.3 -0.630 5.7 162.3-131.0 69.5 20.5 -12.2 30.0 286 80 B P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.916 73.1 44.9 -63.4 -45.7 19.8 -11.3 26.4 287 81 B E H 4 S+ 0 0 77 1,-0.2 90,-0.3 2,-0.2 -2,-0.0 0.900 116.8 45.0 -67.0 -39.3 17.5 -14.2 25.4 288 82 B E H 4 S+ 0 0 64 1,-0.1 89,-0.3 88,-0.1 -1,-0.2 0.836 127.8 22.1 -70.5 -37.3 15.4 -14.0 28.6 289 83 B L H < S+ 0 0 4 -4,-1.9 -2,-0.2 88,-0.1 -1,-0.1 0.707 77.3 127.9-110.5 -23.3 14.9 -10.2 28.7 290 84 B H < + 0 0 44 -4,-2.2 4,-0.1 -5,-0.3 -26,-0.0 -0.082 22.4 171.4 -55.6 134.5 15.4 -8.5 25.3 291 85 B R > + 0 0 4 -27,-0.1 4,-2.4 2,-0.1 5,-0.2 0.536 52.6 88.0-116.9 -16.3 12.5 -6.3 24.4 292 86 B K H > S+ 0 0 56 1,-0.2 4,-2.5 -28,-0.2 5,-0.2 0.932 92.0 47.7 -54.5 -50.2 13.5 -4.3 21.3 293 87 B A H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 110.7 50.9 -59.4 -41.8 12.2 -7.0 18.9 294 88 B A H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 78,-0.3 0.910 111.2 49.3 -62.4 -41.6 8.9 -7.4 20.6 295 89 B L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.871 107.6 53.9 -67.3 -36.6 8.4 -3.6 20.5 296 90 B E H X S+ 0 0 9 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.936 109.7 48.7 -59.7 -46.6 9.3 -3.5 16.8 297 91 B Q H X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.948 114.5 45.7 -54.1 -48.7 6.6 -6.1 16.2 298 92 B D H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 3,-0.2 0.890 110.6 51.2 -66.0 -41.5 4.1 -4.1 18.2 299 93 B L H X>S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.5 0.845 103.4 58.7 -68.7 -32.7 4.8 -0.8 16.7 300 94 B A H X5S+ 0 0 14 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.886 112.4 42.7 -61.9 -33.9 4.4 -2.2 13.1 301 95 B F H <5S+ 0 0 50 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.949 119.4 41.1 -70.5 -52.0 0.9 -3.1 14.3 302 96 B W H <5S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.813 132.3 21.0 -72.8 -33.5 0.1 0.2 16.1 303 97 B Y H <5S- 0 0 49 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.482 104.2-130.0-116.5 -5.3 1.6 2.6 13.6 304 98 B G ><< - 0 0 18 -4,-0.9 3,-1.9 -5,-0.5 -1,-0.2 -0.234 51.6 -35.7 87.1-173.7 1.7 0.6 10.4 305 99 B P T 3 S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.732 136.2 51.9 -56.2 -29.4 4.5 -0.2 7.9 306 100 B R T >> S+ 0 0 158 -3,-0.4 3,-1.7 1,-0.2 4,-1.4 0.155 72.3 125.3 -93.4 17.8 6.0 3.4 8.2 307 101 B W H <> + 0 0 3 -3,-1.9 4,-2.3 1,-0.3 3,-0.4 0.835 67.0 56.2 -51.6 -38.9 6.2 3.1 12.0 308 102 B Q H 34 S+ 0 0 121 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.833 112.9 42.7 -68.2 -26.1 9.9 3.9 12.2 309 103 B E H <4 S+ 0 0 128 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.698 121.1 38.7 -83.6 -25.7 9.3 7.2 10.3 310 104 B V H < S+ 0 0 82 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.616 81.1 111.6-109.7 -15.5 6.2 8.3 12.1 311 105 B I S < S- 0 0 19 -4,-2.3 2,-0.1 -5,-0.2 -56,-0.1 -0.328 71.0-110.5 -62.1 142.5 6.6 7.4 15.8 312 106 B P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.392 25.2-167.4 -70.1 151.4 7.0 10.4 18.1 313 107 B Y - 0 0 101 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.829 18.9-176.1-140.1 97.6 10.2 11.2 19.8 314 108 B T > - 0 0 17 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.397 39.8-101.4 -95.7 166.4 9.6 13.8 22.5 315 109 B P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.866 120.8 52.5 -57.7 -37.7 11.9 15.6 24.9 316 110 B A H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 103,-0.2 0.858 111.6 47.6 -68.0 -33.2 11.2 13.4 27.9 317 111 B M H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.919 111.9 50.6 -66.1 -42.4 12.0 10.3 25.7 318 112 B Q H X S+ 0 0 104 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.874 106.0 55.0 -63.1 -38.7 15.2 12.0 24.6 319 113 B R H X S+ 0 0 118 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