==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JUL-04 1TWR . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LAD,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) . 19447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 75.5 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 . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 1 2 1 0 2 0 0 0 0 0 0 0 1 1 0 1 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 94 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.5 3.5 0.7 17.3 2 11 A Q + 0 0 156 4,-0.1 2,-0.3 5,-0.0 3,-0.0 0.852 360.0 77.8 -80.3 -38.9 0.4 2.7 16.5 3 12 A D S > S- 0 0 48 1,-0.1 4,-2.9 2,-0.0 3,-0.3 -0.567 79.1-134.3 -76.6 135.7 1.8 4.7 13.5 4 13 A L H > S+ 0 0 11 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.871 107.6 51.4 -54.5 -39.6 2.0 2.8 10.2 5 14 A S H > S+ 0 0 16 169,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 112.8 44.1 -67.7 -37.3 5.5 4.1 9.7 6 15 A E H > S+ 0 0 102 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.844 112.8 53.4 -74.7 -34.1 6.6 3.0 13.1 7 16 A A H X S+ 0 0 8 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.884 109.1 48.9 -66.6 -40.0 4.9 -0.3 12.7 8 17 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.967 108.9 52.0 -63.6 -53.3 6.7 -0.9 9.4 9 18 A K H < S+ 0 0 153 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.4 38.7 -49.9 -51.4 10.2 -0.0 10.8 10 19 A E H >< S+ 0 0 108 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.838 114.5 53.3 -72.1 -35.3 9.8 -2.5 13.7 11 20 A A H 3< S+ 0 0 28 -4,-2.0 4,-0.3 1,-0.2 3,-0.3 0.782 114.0 42.6 -71.2 -27.6 8.1 -5.2 11.8 12 21 A T T 3X S+ 0 0 5 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.226 81.8 104.1-103.4 13.0 10.8 -5.3 9.1 13 22 A K H <> S+ 0 0 140 -3,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.897 82.7 46.6 -61.3 -41.0 13.8 -5.0 11.4 14 23 A E H > S+ 0 0 143 -4,-0.3 4,-2.0 -3,-0.3 3,-0.3 0.950 113.6 43.7 -67.9 -53.5 14.6 -8.7 11.0 15 24 A V H > S+ 0 0 7 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.821 110.2 59.4 -63.1 -29.5 14.4 -9.1 7.2 16 25 A H H X S+ 0 0 91 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.903 107.6 44.1 -64.9 -40.4 16.3 -5.8 6.9 17 26 A T H X S+ 0 0 62 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.857 112.2 54.5 -70.2 -34.8 19.2 -7.3 8.8 18 27 A Q H X S+ 0 0 85 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.890 109.4 45.7 -65.0 -41.4 18.8 -10.4 6.7 19 28 A A H < S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.7 51.3 -68.8 -33.2 19.0 -8.3 3.5 20 29 A E H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.871 110.6 48.2 -70.4 -37.9 22.0 -6.6 5.2 21 30 A N H < S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.629 81.6 119.4 -79.6 -15.8 23.6 -10.0 5.9 22 31 A A S X S- 0 0 15 -4,-1.1 4,-3.1 -5,-0.1 5,-0.2 -0.194 72.8-122.2 -50.4 142.2 23.1 -11.4 2.4 23 32 A E H > S+ 0 0 95 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.923 109.7 51.6 -56.1 -50.3 26.5 -12.2 0.9 24 33 A F H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 117.3 40.7 -53.5 -48.3 26.2 -10.0 -2.2 25 34 A M H > S+ 0 0 23 2,-0.2 4,-2.9 -6,-0.2 -1,-0.2 0.847 113.5 53.2 -69.3 -36.0 25.3 -7.1 0.1 26 35 A R H X S+ 0 0 107 -4,-3.1 4,-2.1 2,-0.2 6,-0.3 0.964 110.2 47.9 -62.5 -49.9 27.9 -8.0 2.7 27 36 A N H <>S+ 0 0 31 -4,-3.5 5,-2.7 2,-0.2 -2,-0.2 0.910 111.8 51.9 -55.4 -42.8 30.5 -8.0 0.0 28 37 A F H ><5S+ 0 0 8 -4,-2.0 3,-2.1 -5,-0.3 -2,-0.2 0.980 108.2 48.8 -56.6 -60.9 29.2 -4.7 -1.1 29 38 A Q H 3<5S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 107.7 56.6 -49.0 -36.5 29.4 -3.1 2.3 30 39 A K T 3<5S- 0 0 124 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.045 122.9-106.6 -87.2 26.8 33.0 -4.4 2.7 31 40 A G T < 5S+ 0 0 36 -3,-2.1 2,-1.5 1,-0.2 -3,-0.2 0.553 81.2 135.6 62.3 5.4 33.9 -2.6 -0.5 32 41 A Q < + 0 0 98 -5,-2.7 2,-0.3 -6,-0.3 -1,-0.2 -0.676 28.6 125.9 -87.2 87.5 34.0 -5.9 -2.2 33 42 A V - 0 0 19 -2,-1.5 2,-0.2 108,-0.1 -9,-0.0 -0.986 39.6-158.3-147.8 135.0 32.1 -5.0 -5.4 34 43 A T > - 0 0 85 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.576 33.7-106.7-108.0 171.2 33.1 -5.4 -9.1 35 44 A R H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 120.4 50.0 -60.8 -47.7 31.9 -3.8 -12.4 36 45 A D H > S+ 0 0 102 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.867 112.3 47.1 -61.2 -37.5 30.0 -6.9 -13.4 37 46 A G H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.911 112.5 49.2 -70.4 -40.7 28.3 -7.1 -10.0 38 47 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.874 106.8 55.3 -66.2 -39.1 27.4 -3.4 -10.1 39 48 A K H X S+ 0 0 55 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.934 107.5 50.6 -58.8 -46.8 26.0 -3.6 -13.6 40 49 A L H X S+ 0 0 17 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.828 109.1 51.1 -59.1 -37.3 23.6 -6.4 -12.5 41 50 A V H X S+ 0 0 19 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.909 112.3 45.8 -67.8 -43.2 22.5 -4.3 -9.5 42 51 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.889 111.2 51.9 -66.9 -40.7 21.7 -1.3 -11.7 43 52 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.919 109.5 51.4 -61.7 -43.7 19.9 -3.5 -14.3 44 53 A S H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.931 108.4 51.3 -57.2 -48.9 17.8 -4.9 -11.5 45 54 A L H X S+ 0 0 13 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.897 106.3 54.2 -56.1 -44.9 16.9 -1.4 -10.2 46 55 A Y H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.931 112.0 43.6 -56.9 -49.6 15.8 -0.3 -13.7 47 56 A H H X S+ 0 0 26 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.911 116.2 47.6 -63.2 -43.9 13.4 -3.2 -14.0 48 57 A I H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.921 114.9 44.4 -65.1 -44.7 12.1 -2.9 -10.5 49 58 A Y H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.804 109.2 56.2 -72.3 -28.6 11.5 0.9 -10.7 50 59 A V H X S+ 0 0 34 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.958 113.7 41.2 -65.2 -47.7 9.9 0.7 -14.2 51 60 A A H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 117.7 46.6 -64.5 -47.2 7.4 -1.7 -12.7 52 61 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.922 115.0 44.8 -62.9 -46.7 6.9 0.2 -9.5 53 62 A E H X S+ 0 0 24 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.762 109.1 57.8 -71.9 -22.2 6.6 3.6 -11.1 54 63 A E H X S+ 0 0 79 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.920 111.4 41.9 -71.3 -41.5 4.2 2.2 -13.7 55 64 A E H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.814 109.6 56.9 -75.0 -32.0 1.9 1.0 -10.9 56 65 A I H X S+ 0 0 10 -4,-2.1 4,-0.9 1,-0.2 3,-0.2 0.931 107.1 50.0 -64.8 -41.4 2.2 4.2 -8.9 57 66 A E H < S+ 0 0 86 -4,-1.7 3,-0.4 1,-0.2 4,-0.2 0.868 107.8 53.8 -62.9 -36.5 1.0 6.2 -11.9 58 67 A R H < S+ 0 0 126 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 121.6 30.2 -66.8 -32.3 -1.9 3.8 -12.3 59 68 A N H >< S+ 0 0 16 -4,-1.6 3,-0.9 -3,-0.2 7,-0.4 0.283 81.3 113.5-112.0 11.5 -2.9 4.4 -8.7 60 69 A K T 3< S+ 0 0 72 -4,-0.9 9,-0.1 -3,-0.4 -1,-0.1 0.718 84.6 43.7 -56.6 -24.3 -1.7 8.0 -8.0 61 70 A E T 3 S+ 0 0 174 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.674 88.5 106.1 -94.3 -19.9 -5.3 9.3 -7.7 62 71 A S S X> S- 0 0 34 -3,-0.9 4,-3.3 1,-0.2 3,-1.7 -0.313 74.8-131.2 -61.0 139.6 -6.6 6.4 -5.5 63 72 A P T 34 S+ 0 0 109 0, 0.0 118,-0.3 0, 0.0 -1,-0.2 0.607 104.7 67.9 -68.5 -7.7 -7.0 7.4 -1.9 64 73 A V T 34 S+ 0 0 49 -5,-0.1 57,-0.3 116,-0.1 -4,-0.1 0.589 123.1 8.5 -85.9 -11.4 -5.1 4.3 -0.9 65 74 A F T X4 S+ 0 0 1 -3,-1.7 3,-2.7 -6,-0.3 4,-0.2 0.581 101.2 92.8-135.1 -36.1 -1.9 5.7 -2.4 66 75 A A G >< S+ 0 0 36 -4,-3.3 3,-1.7 -7,-0.4 -2,-0.1 0.728 80.4 65.1 -34.6 -41.6 -2.4 9.4 -3.3 67 76 A P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.807 108.1 38.8 -57.8 -31.9 -1.1 10.6 0.1 68 77 A V G < S+ 0 0 2 -3,-2.7 2,-0.9 108,-0.1 -2,-0.2 0.100 83.4 129.0-107.2 23.7 2.4 9.3 -0.6 69 78 A Y < + 0 0 55 -3,-1.7 -3,-0.0 -4,-0.2 -4,-0.0 -0.700 18.1 154.0 -84.7 106.8 2.5 10.2 -4.3 70 79 A F > + 0 0 24 -2,-0.9 4,-1.9 1,-0.1 5,-0.4 -0.584 3.7 162.6-131.8 70.2 5.7 12.2 -4.9 71 80 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.874 74.8 46.0 -57.6 -43.6 6.6 11.7 -8.6 72 81 A E H 4 S+ 0 0 79 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.893 116.8 42.0 -70.7 -40.3 9.0 14.7 -8.9 73 82 A E H 4 S+ 0 0 60 1,-0.1 89,-0.2 88,-0.1 -1,-0.2 0.779 128.4 25.7 -76.9 -28.6 11.0 14.1 -5.7 74 83 A L H < S+ 0 0 2 -4,-1.9 -2,-0.2 88,-0.1 -1,-0.1 0.717 76.1 123.7-113.3 -22.6 11.3 10.3 -6.0 75 84 A H < + 0 0 45 -4,-1.9 4,-0.1 -5,-0.4 -26,-0.0 -0.123 25.4 173.3 -49.5 131.4 11.0 9.0 -9.6 76 85 A R > + 0 0 4 -27,-0.1 4,-2.3 2,-0.1 5,-0.2 0.570 52.5 91.0-114.9 -16.4 14.1 6.9 -10.4 77 86 A K H > S+ 0 0 52 -28,-0.2 4,-2.2 1,-0.2 5,-0.1 0.897 90.5 46.3 -49.4 -51.3 13.3 5.4 -13.9 78 87 A A H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 110.9 52.9 -61.9 -40.6 14.9 8.3 -15.8 79 88 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 78,-0.3 0.904 110.6 47.8 -62.1 -40.0 18.0 8.3 -13.6 80 89 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.875 107.1 55.9 -68.7 -37.7 18.5 4.6 -14.3 81 90 A E H X S+ 0 0 5 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.947 110.3 46.2 -58.1 -48.8 18.0 5.0 -18.0 82 91 A Q H X S+ 0 0 7 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.931 114.6 48.4 -57.0 -49.1 20.9 7.5 -18.0 83 92 A D H >X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 3,-0.6 0.884 109.0 50.5 -61.6 -43.6 23.0 5.2 -15.8 84 93 A L H 3X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.3 5,-0.3 0.760 102.0 61.9 -70.6 -21.8 22.5 2.0 -17.9 85 94 A A H 3< S+ 0 0 11 -4,-1.3 4,-0.5 -3,-0.3 -1,-0.3 0.828 110.2 43.1 -70.9 -27.4 23.4 3.9 -21.0 86 95 A F H << S+ 0 0 49 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.941 119.5 39.8 -79.6 -49.9 26.8 4.4 -19.3 87 96 A W H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.853 132.3 22.0 -67.9 -40.5 27.2 0.9 -18.0 88 97 A Y S < S- 0 0 41 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.378 107.9-122.1-109.9 -1.3 25.9 -1.1 -20.9 89 98 A G > - 0 0 18 -4,-0.5 3,-1.8 -5,-0.3 -1,-0.3 -0.151 48.2 -45.2 86.8 176.9 26.3 1.4 -23.7 90 99 A P T 3 S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.725 136.4 51.2 -56.7 -26.4 23.9 3.0 -26.2 91 100 A R T >> S+ 0 0 149 -3,-0.3 3,-2.0 1,-0.2 4,-1.2 0.026 71.0 128.3-101.9 26.9 22.2 -0.4 -27.0 92 101 A W H <> + 0 0 2 -3,-1.8 4,-3.3 1,-0.3 3,-0.4 0.838 64.8 62.2 -50.8 -40.9 21.6 -1.2 -23.3 93 102 A Q H 34 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.785 107.3 47.8 -58.5 -25.1 17.9 -1.9 -23.8 94 103 A E H <4 S+ 0 0 116 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.775 123.0 28.5 -85.0 -31.4 19.1 -4.7 -26.0 95 104 A V H < S+ 0 0 88 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.2 0.719 82.4 114.1-106.3 -23.1 21.7 -6.2 -23.8 96 105 A I < - 0 0 18 -4,-3.3 -56,-0.0 -5,-0.2 2,-0.0 -0.216 69.0-116.3 -54.4 134.1 20.7 -5.6 -20.1 97 106 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.313 22.9-165.4 -69.5 155.4 19.9 -8.9 -18.4 98 107 A Y - 0 0 103 -51,-0.0 -54,-0.0 -2,-0.0 -2,-0.0 -0.771 19.6-167.3-144.9 87.6 16.4 -9.6 -17.0 99 108 A T > - 0 0 14 -2,-0.3 4,-2.7 1,-0.1 3,-0.4 -0.314 34.5-108.7 -80.4 160.1 16.7 -12.6 -14.7 100 109 A P H > S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.851 121.2 53.1 -54.9 -37.8 14.0 -14.8 -13.1 101 110 A A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 103,-0.1 0.864 109.5 48.2 -66.9 -37.2 14.6 -13.2 -9.7 102 111 A M H > S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.929 111.9 50.5 -67.2 -43.5 14.2 -9.8 -11.3 103 112 A Q H X S+ 0 0 80 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.831 105.1 55.5 -63.0 -35.3 11.0 -11.0 -12.9 104 113 A R H X S+ 0 0 108 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.893 110.7 46.2 -65.2 -39.1 9.6 -12.4 -9.7 105 114 A Y H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.939 115.1 46.0 -67.2 -48.3 10.0 -9.0 -8.1 106 115 A V H X S+ 0 0 13 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.887 109.8 55.2 -61.2 -42.3 8.5 -7.2 -11.1 107 116 A K H X S+ 0 0 137 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.901 107.3 48.8 -59.9 -43.7 5.6 -9.7 -11.2 108 117 A R H X S+ 0 0 43 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.893 107.7 55.9 -64.2 -40.6 4.6 -9.0 -7.6 109 118 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.918 109.4 45.4 -58.1 -47.3 4.7 -5.3 -8.2 110 119 A H H X S+ 0 0 30 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.877 111.6 52.9 -66.2 -36.9 2.2 -5.4 -11.0 111 120 A E H X>S+ 0 0 75 -4,-1.9 4,-2.6 2,-0.2 5,-0.7 0.933 113.4 42.9 -63.2 -47.4 -0.0 -7.8 -9.1 112 121 A V H X5S+ 0 0 0 -4,-2.7 4,-2.1 3,-0.2 7,-0.3 0.965 116.2 47.9 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0.804 109.7 44.8 -55.8 -28.6 -2.9 -2.3 7.9 188 197 A Q H X S+ 0 0 103 -4,-1.1 4,-2.1 -3,-0.5 -1,-0.2 0.823 108.8 53.4 -86.2 -34.3 -1.7 -5.8 8.5 189 198 A R H X S+ 0 0 89 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.840 108.5 52.7 -68.1 -31.4 -1.5 -6.9 4.9 190 199 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.905 107.7 49.6 -69.3 -41.9 0.6 -3.9 4.2 191 200 A I H X S+ 0 0 7 -4,-1.0 4,-1.3 -5,-0.2 -2,-0.2 0.907 113.5 47.9 -61.5 -42.7 3.0 -4.7 7.0 192 201 A E H >X S+ 0 0 93 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.928 107.7 54.1 -62.8 -48.2 3.2 -8.2 5.5 193 202 A E H 3X S+ 0 0 10 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.806 103.2 58.1 -59.0 -30.0 3.7 -6.9 2.0 194 203 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.898 106.3 47.8 -67.8 -38.6 6.7 -4.9 3.3 195 204 A K H < S+ 0 0 92 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.911 107.6 53.1 -65.2 -44.7 25.2 -17.0 -7.9 211 220 A L H 3< S+ 0 0 71 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.780 108.8 52.0 -63.3 -25.8 25.4 -15.6 -11.5 212 221 A L T 3< S+ 0 0 62 -4,-1.3 -1,-0.2 1,-0.2 2,-0.2 0.474 95.3 70.2 -91.8 -2.3 28.7 -14.0 -10.7 213 222 A T < 0 0 86 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 -0.379 360.0 360.0-114.2 58.2 30.5 -17.0 -9.3 214 223 A H 0 0 179 -3,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.706 360.0 360.0-119.5 360.0 31.1 -19.3 -12.3 215 !* 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 81 0, 0.0 6,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0-176.3 13.1 22.9 -50.3 217 11 B Q + 0 0 165 4,-0.1 2,-0.5 5,-0.0 3,-0.0 0.793 360.0 80.0 -76.9 -29.1 9.7 21.2 -50.3 218 12 B D S >> S- 0 0 77 1,-0.1 4,-2.3 2,-0.0 3,-0.5 -0.697 76.6-139.3 -86.5 127.6 10.4 19.3 -47.0 219 13 B L H 3> S+ 0 0 5 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.888 104.9 51.8 -46.9 -50.0 10.0 21.2 -43.8 220 14 B S H 3> S+ 0 0 7 169,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.877 111.2 47.2 -58.0 -40.0 13.1 19.6 -42.3 221 15 B E H <> S+ 0 0 77 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.824 111.5 52.2 -71.4 -30.8 15.1 20.6 -45.4 222 16 B A H X S+ 0 0 12 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.922 110.0 47.1 -70.3 -45.4 13.7 24.1 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36.1 28.9 -26.8 243 37 B F H ><5S+ 0 0 5 -4,-1.9 3,-0.9 -5,-0.3 -1,-0.2 0.857 102.8 51.2 -60.3 -33.6 34.0 25.9 -25.7 244 38 B Q H 3<5S+ 0 0 101 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.884 101.3 58.8 -70.7 -40.3 35.2 24.3 -28.9 245 39 B K T 3<5S- 0 0 125 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.240 125.2-105.4 -73.5 17.1 38.8 25.1 -28.2 246 40 B G T < 5S+ 0 0 34 -3,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.758 81.6 137.0 64.5 23.1 38.3 23.0 -25.1 247 41 B Q < + 0 0 98 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.888 18.0 115.9-109.3 107.7 38.3 26.3 -23.1 248 42 B V - 0 0 23 -2,-0.7 2,-0.1 -3,-0.1 -9,-0.0 -0.872 46.2-139.5-168.3 133.0 35.6 26.6 -20.5 249 43 B T > - 0 0 82 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.408 32.3-106.1 -92.1 171.4 35.6 26.9 -16.7 250 44 B R H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.899 123.4 49.2 -62.8 -38.6 33.4 25.2 -14.1 251 45 B D H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 112.0 47.0 -68.0 -39.6 31.7 28.5 -13.6 252 46 B G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.901 115.0 46.7 -68.6 -39.5 31.2 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77 B V G < S+ 0 0 2 -3,-2.3 2,-0.9 108,-0.1 -2,-0.2 0.187 84.1 127.0-107.4 17.7 6.8 15.1 -33.5 284 78 B Y < + 0 0 57 -3,-2.4 -3,-0.0 -4,-0.2 -4,-0.0 -0.661 20.5 157.3 -79.7 105.4 5.9 14.2 -29.8 285 79 B F > + 0 0 22 -2,-0.9 4,-2.2 1,-0.1 5,-0.3 -0.567 4.2 164.5-128.2 67.4 8.7 11.9 -28.6 286 80 B P H > S+ 0 0 40 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.920 74.4 41.1 -49.9 -59.3 8.7 12.4 -24.7 287 81 B E H 4 S+ 0 0 82 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.902 116.6 48.1 -61.2 -44.3 10.7 9.3 -23.7 288 82 B E H 4 S+ 0 0 62 1,-0.1 89,-0.2 88,-0.1 -1,-0.2 0.843 126.6 22.1 -66.6 -34.7 13.4 9.7 -26.4 289 83 B L H < S+ 0 0 5 -4,-2.2 -2,-0.2 88,-0.1 -1,-0.1 0.681 76.8 125.6-114.1 -16.1 14.0 13.4 -25.9 290 84 B H < + 0 0 44 -4,-2.5 4,-0.1 -5,-0.3 -26,-0.0 -0.125 23.4 173.3 -51.9 137.6 13.1 14.8 -22.5 291 85 B R > + 0 0 4 -27,-0.1 4,-2.4 2,-0.1 5,-0.2 0.539 53.3 91.1-119.5 -17.3 16.0 16.7 -20.8 292 86 B K H > S+ 0 0 62 1,-0.2 4,-2.0 -28,-0.2 5,-0.2 0.928 92.2 44.0 -47.7 -56.2 14.4 18.2 -17.7 293 87 B A H > S+ 0 0 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-4,-2.5 3,-0.3 1,-0.3 -3,-0.2 0.581 105.7-124.6-114.6 -17.4 25.2 23.4 -7.4 304 98 B G ><< - 0 0 15 -5,-0.7 3,-1.7 -4,-0.6 -1,-0.3 -0.489 48.4 -40.7 104.7-176.5 24.2 21.0 -4.6 305 99 B P T 3 S+ 0 0 84 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.800 137.8 48.0 -58.6 -33.0 21.0 19.9 -2.9 306 100 B R T >> S+ 0 0 107 -3,-0.3 3,-1.1 1,-0.2 4,-0.6 0.088 72.5 122.2 -97.7 21.1 19.7 23.5 -2.9 307 101 B W H X> + 0 0 2 -3,-1.7 4,-2.2 1,-0.3 3,-1.9 0.888 69.9 60.3 -48.2 -46.5 20.6 24.1 -6.6 308 102 B Q H 34 S+ 0 0 101 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.874 106.6 47.4 -51.1 -40.6 16.9 25.0 -7.2 309 103 B E H <4 S+ 0 0 126 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.527 123.4 30.2 -81.2 -6.3 17.2 27.8 -4.7 310 104 B V H << S+ 0 0 90 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.523 78.2 114.8-134.2 -3.1 20.5 29.2 -6.1 311 105 B I S < S- 0 0 20 -4,-2.2 2,-0.1 -5,-0.2 -56,-0.1 -0.395 70.4-105.8 -67.0 150.6 21.0 28.7 -9.8 312 106 B P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.385 25.8-164.8 -76.8 156.5 21.1 32.0 -11.7 313 107 B Y - 0 0 109 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.833 22.1-176.4-141.9 95.2 18.2 33.2 -13.9 314 108 B T > - 0 0 22 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.401 40.5-100.4 -94.7 170.4 19.5 36.0 -16.2 315 109 B P H > S+ 0 0 75 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.883 122.7 50.2 -56.4 -43.1 17.9 38.3 -18.7 316 110 B A H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 103,-0.2 0.859 112.0 48.6 -65.3 -34.6 19.1 36.3 -21.7 317 111 B M H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 112.9 48.8 -69.0 -42.5 17.7 33.1 -20.0 318 112 B Q H X S+ 0 0 106 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.878 105.4 54.6 -65.7 -42.3 14.4 34.9 -19.4 319 113 B R H X S+ 0 0 114 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.911 111.8 47.2 -58.6 -39.6 14.0 36.3 -23.0 320 114 B Y H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.948 113.3 46.5 -65.5 -50.5 14.4 32.7 -24.2 321 115 B V H X S+ 0 0 14 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.893 110.3 56.3 -58.0 -41.3 11.9 31.2 -21.7 322 116 B K H X S+ 0 0 128 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.918 106.1 47.2 -57.5 -51.3 9.5 34.1 -22.5 323 117 B R H X S+ 0 0 40 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.911 108.4 57.2 -60.6 -41.5 9.3 33.3 -26.2 324 118 B L H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.916 111.0 41.0 -55.6 -47.9 8.8 29.6 -25.5 325 119 B H H X S+ 0 0 27 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.846 113.4 56.0 -69.7 -33.6 5.7 30.2 -23.3 326 120 B E H X>S+ 0 0 74 -4,-2.1 4,-2.9 2,-0.2 5,-0.7 0.959 112.2 40.9 -60.9 -53.7 4.5 32.8 -25.8 327 121 B V H X5S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 7,-0.3 0.915 115.9 51.2 -61.2 -45.0 4.7 30.3 -28.7 328 122 B G H <5S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.865 118.0 37.8 -62.7 -35.8 3.2 27.6 -26.5 329 123 B R H <5S+ 0 0 153 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.798 134.0 15.6 -88.8 -30.0 0.3 29.8 -25.4 330 124 B T H <5S+ 0 0 99 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.703 137.5 19.3-117.0 -27.6 -0.5 31.7 -28.6 331 125 B E ><< + 0 0 40 -4,-1.1 3,-2.8 -5,-0.7 4,-0.3 -0.260 60.7 159.2-142.1 55.5 1.1 30.1 -31.6 332 126 B P G > + 0 0 21 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.602 67.5 80.9 -52.4 -14.5 1.9 26.5 -30.6 333 127 B E G 3 S+ 0 0 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