==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 17-AUG-11 3TGM . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.N.RAHMAN,Z.JIA . 431 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 73.3 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 . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 4 0 0 1 3 1 0 2 1 0 0 0 0 0 0 0 1 1 0 2 0 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 84 0, 0.0 6,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 143.1 -21.8 -32.9 19.5 2 11 A Q + 0 0 173 4,-0.1 2,-0.2 5,-0.0 3,-0.0 0.872 360.0 72.1 -71.5 -40.0 -19.5 -32.4 22.6 3 12 A D S > S- 0 0 55 1,-0.1 4,-2.5 176,-0.0 5,-0.1 -0.570 74.4-141.2 -80.3 139.2 -18.2 -28.9 21.6 4 13 A L H > S+ 0 0 3 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.887 104.9 57.6 -62.7 -40.0 -20.5 -25.9 21.9 5 14 A S H > S+ 0 0 9 169,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.834 112.3 40.2 -58.8 -37.5 -19.0 -24.6 18.7 6 15 A E H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.1 -2,-0.2 0.874 113.3 54.0 -78.1 -40.8 -20.0 -27.8 16.9 7 16 A A H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.836 109.6 47.9 -63.9 -36.5 -23.4 -28.0 18.5 8 17 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.866 112.0 49.1 -71.7 -39.2 -24.3 -24.5 17.5 9 18 A K H < S+ 0 0 136 -4,-1.0 4,-0.2 -5,-0.2 -2,-0.2 0.877 113.4 47.6 -66.4 -40.4 -23.2 -25.1 13.9 10 19 A E H >< S+ 0 0 124 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.913 112.6 47.9 -65.7 -46.6 -25.2 -28.4 13.7 11 20 A A H 3< S+ 0 0 24 -4,-1.9 3,-0.4 1,-0.2 4,-0.3 0.834 109.9 51.0 -66.4 -35.4 -28.4 -26.9 15.2 12 21 A T T 3X S+ 0 0 6 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.352 77.0 102.4 -91.0 5.4 -28.5 -23.8 13.0 13 22 A K H <> S+ 0 0 130 -3,-0.9 4,-1.7 -4,-0.2 -1,-0.2 0.907 85.9 42.7 -53.9 -49.3 -28.1 -25.6 9.6 14 23 A E H > S+ 0 0 132 -3,-0.4 4,-1.3 -4,-0.3 -1,-0.2 0.810 117.5 46.9 -69.0 -32.5 -31.9 -25.4 8.7 15 24 A V H > S+ 0 0 14 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.734 109.8 53.1 -82.8 -26.3 -32.1 -21.8 9.9 16 25 A H H X S+ 0 0 69 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.844 110.0 47.6 -75.2 -36.7 -29.0 -20.7 8.1 17 26 A T H X S+ 0 0 68 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.863 109.4 54.2 -69.1 -37.9 -30.3 -22.1 4.8 18 27 A Q H < S+ 0 0 103 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.830 109.3 48.9 -61.2 -34.8 -33.6 -20.3 5.5 19 28 A A H >< S+ 0 0 18 -4,-1.1 3,-0.9 1,-0.2 -2,-0.2 0.758 107.1 54.0 -77.6 -28.8 -31.5 -17.1 5.9 20 29 A E H 3< S+ 0 0 115 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.779 107.9 52.0 -71.9 -29.5 -29.6 -17.8 2.6 21 30 A N T 3< S+ 0 0 103 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.2 -0.013 80.5 128.7 -98.6 27.0 -33.0 -18.0 0.9 22 31 A A <> - 0 0 3 -3,-0.9 4,-2.0 1,-0.1 5,-0.2 -0.624 68.9-121.6 -76.4 143.7 -34.2 -14.7 2.3 23 32 A E H > S+ 0 0 99 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.860 110.3 47.7 -58.2 -41.4 -35.6 -12.4 -0.4 24 33 A F H > S+ 0 0 7 181,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 115.8 42.5 -63.6 -50.8 -33.1 -9.6 0.4 25 34 A M H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.673 106.1 63.7 -74.6 -20.0 -30.0 -11.8 0.4 26 35 A R H X S+ 0 0 154 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.909 111.3 38.2 -65.6 -43.6 -31.2 -13.7 -2.6 27 36 A N H <>S+ 0 0 37 -4,-1.4 5,-2.8 -5,-0.2 3,-0.3 0.871 111.6 59.2 -70.7 -40.1 -30.9 -10.4 -4.5 28 37 A F H ><5S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.874 101.1 54.8 -59.4 -41.6 -27.7 -9.5 -2.6 29 38 A Q H 3<5S+ 0 0 125 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.872 109.6 46.8 -58.3 -40.9 -25.9 -12.6 -3.8 30 39 A K T 3<5S- 0 0 170 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.357 120.9-111.5 -83.8 3.8 -26.6 -11.7 -7.4 31 40 A G T < 5S+ 0 0 29 -3,-1.4 2,-1.0 -4,-0.2 -3,-0.2 0.723 71.5 141.6 73.7 24.6 -25.5 -8.1 -6.7 32 41 A Q < + 0 0 126 -5,-2.8 2,-0.3 -8,-0.1 -4,-0.1 -0.423 29.7 132.3 -95.3 57.9 -28.9 -6.6 -7.0 33 42 A V - 0 0 20 -2,-1.0 2,-0.2 -5,-0.2 3,-0.0 -0.832 39.8-154.4-112.5 146.7 -28.5 -4.1 -4.2 34 43 A T > - 0 0 84 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.617 31.7-110.5-107.0 172.1 -29.3 -0.4 -4.0 35 44 A R H > S+ 0 0 114 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 119.4 54.0 -65.1 -45.4 -27.9 2.4 -1.8 36 45 A D H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 110.0 47.3 -52.3 -48.6 -31.3 2.7 0.0 37 46 A G H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 112.5 48.0 -62.0 -45.7 -31.1 -1.1 0.9 38 47 A F H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.898 107.9 55.3 -62.7 -43.7 -27.5 -0.9 2.0 39 48 A K H X S+ 0 0 61 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.890 107.6 50.7 -56.1 -42.5 -28.2 2.1 4.2 40 49 A L H X S+ 0 0 21 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.883 111.6 47.0 -61.6 -43.4 -30.9 0.1 5.9 41 50 A V H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.959 113.1 48.9 -60.3 -52.2 -28.5 -2.8 6.5 42 51 A M H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.843 113.4 46.6 -58.4 -39.0 -25.9 -0.4 7.8 43 52 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.852 111.8 51.4 -72.6 -36.7 -28.4 1.3 10.1 44 53 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 108.3 50.9 -62.8 -49.9 -29.7 -2.1 11.3 45 54 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.822 108.5 55.0 -58.2 -33.4 -26.2 -3.3 12.1 46 55 A Y H X S+ 0 0 22 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.960 108.9 44.1 -63.4 -54.0 -25.7 -0.1 14.1 47 56 A H H X S+ 0 0 32 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.816 116.9 47.6 -62.4 -32.8 -28.7 -0.5 16.4 48 57 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.922 113.5 44.2 -76.3 -48.7 -27.9 -4.2 17.0 49 58 A Y H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.791 109.4 57.7 -68.1 -31.3 -24.2 -3.8 17.8 50 59 A V H X S+ 0 0 28 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.945 114.4 38.7 -61.3 -47.0 -24.9 -0.8 20.0 51 60 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.910 116.8 50.6 -69.2 -44.5 -27.2 -3.1 22.1 52 61 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.931 115.1 42.0 -59.4 -48.2 -25.0 -6.2 21.8 53 62 A E H X S+ 0 0 24 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.802 111.2 56.7 -72.2 -30.2 -21.8 -4.3 22.9 54 63 A E H X S+ 0 0 93 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.2 0.913 112.6 41.2 -64.1 -44.5 -23.7 -2.4 25.6 55 64 A E H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.798 111.4 56.6 -74.9 -30.3 -24.8 -5.7 27.2 56 65 A I H X S+ 0 0 10 -4,-1.9 4,-0.5 -5,-0.2 3,-0.4 0.895 105.7 51.2 -66.2 -40.6 -21.4 -7.3 26.6 57 66 A E H < S+ 0 0 89 -4,-2.1 3,-0.4 1,-0.2 4,-0.2 0.824 106.4 55.6 -64.7 -33.0 -19.8 -4.5 28.7 58 67 A R H < S+ 0 0 157 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.803 119.8 30.7 -64.4 -31.0 -22.3 -5.2 31.5 59 68 A N H >< S+ 0 0 25 -4,-1.0 3,-0.6 -3,-0.4 6,-0.3 0.183 80.2 110.9-121.3 15.3 -21.3 -8.8 31.6 60 69 A K T 3< S+ 0 0 67 -4,-0.5 9,-0.2 -3,-0.4 -1,-0.1 0.822 83.5 49.9 -59.5 -33.1 -17.6 -8.9 30.7 61 70 A E T 3 S+ 0 0 162 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.722 89.4 101.6 -78.4 -24.2 -16.6 -9.8 34.3 62 71 A S S X> S- 0 0 37 -3,-0.6 4,-3.3 1,-0.1 3,-1.9 -0.403 75.5-131.7 -69.4 136.1 -19.1 -12.7 34.5 63 72 A P T 34 S+ 0 0 107 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.713 103.9 68.4 -55.5 -24.7 -17.8 -16.3 34.1 64 73 A V T 34 S+ 0 0 42 1,-0.1 57,-0.2 2,-0.1 -4,-0.1 0.685 123.0 9.5 -72.0 -18.6 -20.7 -16.9 31.7 65 74 A F T X4 S+ 0 0 3 -3,-1.9 3,-1.5 -6,-0.3 4,-0.5 0.557 100.0 97.4-130.3 -24.7 -19.1 -14.6 29.1 66 75 A A G >< S+ 0 0 41 -4,-3.3 3,-1.2 1,-0.3 -2,-0.1 0.784 82.3 55.1 -43.2 -44.4 -15.6 -13.7 30.3 67 76 A P G 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.848 110.6 44.3 -62.8 -34.3 -13.7 -16.3 28.2 68 77 A V G < S+ 0 0 2 -3,-1.5 2,-0.6 108,-0.1 -2,-0.2 0.312 83.5 121.9 -92.5 8.6 -15.2 -15.1 24.9 69 78 A Y < + 0 0 53 -3,-1.2 -3,-0.0 -4,-0.5 -4,-0.0 -0.629 24.2 159.1 -78.2 113.2 -14.7 -11.4 25.7 70 79 A F > + 0 0 17 -2,-0.6 4,-1.8 1,-0.1 5,-0.3 -0.565 4.6 167.6-132.9 69.4 -12.5 -9.8 23.0 71 80 A P H > S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.901 75.5 39.4 -54.1 -55.2 -13.2 -6.0 23.2 72 81 A E H 4 S+ 0 0 89 1,-0.2 90,-0.2 2,-0.2 -2,-0.0 0.829 116.3 50.4 -66.7 -35.7 -10.4 -4.7 21.0 73 82 A E H 4 S+ 0 0 59 1,-0.1 89,-0.3 -3,-0.1 -1,-0.2 0.824 124.3 21.6 -74.0 -33.3 -10.5 -7.4 18.4 74 83 A L H < S+ 0 0 7 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.1 0.617 76.0 132.2-118.6 -17.8 -14.2 -7.3 17.6 75 84 A H < + 0 0 41 -4,-2.0 4,-0.2 -5,-0.3 -26,-0.0 -0.133 21.4 172.1 -51.9 127.9 -15.8 -4.0 18.6 76 85 A R > + 0 0 4 -27,-0.1 4,-2.2 2,-0.1 5,-0.2 0.539 52.4 88.4-116.0 -14.6 -18.0 -2.7 15.7 77 86 A K H > S+ 0 0 53 1,-0.2 4,-2.2 -28,-0.2 5,-0.2 0.934 93.2 44.4 -55.3 -52.7 -19.9 0.3 17.1 78 87 A A H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 112.4 51.9 -61.6 -39.7 -17.2 2.8 16.2 79 88 A A H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 78,-0.3 0.886 112.7 46.2 -64.6 -39.1 -16.6 1.4 12.7 80 89 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.832 108.4 55.3 -72.9 -34.7 -20.4 1.6 12.1 81 90 A E H X S+ 0 0 7 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.879 106.7 51.8 -64.8 -39.3 -20.6 5.1 13.4 82 91 A Q H X S+ 0 0 12 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.904 113.2 45.3 -59.8 -42.7 -17.9 6.2 11.0 83 92 A D H >X S+ 0 0 2 -4,-1.4 4,-2.6 1,-0.2 3,-0.9 0.934 109.2 52.0 -71.1 -49.3 -19.9 4.6 8.1 84 93 A L H 3X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.3 5,-0.4 0.813 104.1 60.0 -55.6 -33.2 -23.3 6.0 9.0 85 94 A A H 3X S+ 0 0 10 -4,-1.4 4,-0.7 -5,-0.2 -1,-0.3 0.852 111.9 39.7 -62.2 -35.6 -21.7 9.5 9.1 86 95 A F H << S+ 0 0 52 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.838 121.2 42.4 -80.6 -37.8 -20.8 8.9 5.5 87 96 A W H < S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.836 130.5 22.1 -79.2 -34.7 -24.1 7.3 4.5 88 97 A Y H < S- 0 0 55 -4,-3.0 3,-0.2 1,-0.3 -3,-0.2 0.462 110.1-109.9-115.2 -5.1 -26.5 9.5 6.3 89 98 A G >< - 0 0 23 -4,-0.7 3,-1.5 -5,-0.4 -1,-0.3 -0.162 48.5 -58.1 92.5 169.1 -24.5 12.7 6.9 90 99 A P T 3 S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.674 135.9 56.0 -60.7 -20.2 -23.0 14.3 10.0 91 100 A R T >> S+ 0 0 117 -3,-0.2 3,-1.6 1,-0.2 4,-0.8 -0.081 70.8 128.4 -98.8 32.1 -26.5 14.4 11.6 92 101 A W H X> + 0 0 2 -3,-1.5 4,-2.5 1,-0.3 3,-1.3 0.871 61.8 63.3 -53.8 -43.1 -26.9 10.7 11.1 93 102 A Q H 34 S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.661 107.7 43.9 -63.2 -16.6 -27.9 10.0 14.7 94 103 A E H <4 S+ 0 0 132 -3,-1.6 -1,-0.3 1,-0.0 -2,-0.2 0.614 121.0 36.9 -98.0 -18.2 -31.0 12.1 14.2 95 104 A V H << S+ 0 0 86 -3,-1.3 -2,-0.2 -4,-0.8 -3,-0.1 0.641 82.8 110.4-113.0 -20.3 -32.1 10.8 10.8 96 105 A I S < S- 0 0 23 -4,-2.5 2,-0.2 -5,-0.2 -56,-0.1 -0.263 70.4-111.0 -62.3 145.0 -31.3 7.0 10.7 97 106 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.503 22.1-165.0 -83.3 148.6 -34.3 4.8 10.8 98 107 A Y - 0 0 99 -2,-0.2 -54,-0.0 -51,-0.0 -2,-0.0 -0.710 19.8-171.3-130.4 79.5 -35.3 2.6 13.7 99 108 A T > - 0 0 17 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.203 36.5-108.2 -72.2 159.0 -37.9 0.1 12.4 100 109 A P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.848 120.0 55.7 -53.2 -39.2 -40.0 -2.4 14.5 101 110 A A H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 103,-0.1 0.872 109.6 46.3 -63.7 -38.8 -37.9 -5.4 13.2 102 111 A M H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.933 110.2 55.1 -62.8 -46.1 -34.8 -3.6 14.4 103 112 A Q H X S+ 0 0 89 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.839 104.9 51.9 -58.8 -40.3 -36.6 -2.8 17.7 104 113 A R H X S+ 0 0 85 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.934 111.2 47.3 -60.8 -48.9 -37.4 -6.5 18.4 105 114 A Y H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.938 115.3 45.8 -55.9 -50.9 -33.8 -7.5 17.9 106 115 A V H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.893 111.3 52.4 -62.1 -43.1 -32.6 -4.7 20.2 107 116 A K H X S+ 0 0 128 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.886 109.1 50.5 -59.8 -41.5 -35.3 -5.6 22.8 108 117 A R H X S+ 0 0 49 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.921 108.4 50.9 -63.9 -46.1 -34.1 -9.2 22.8 109 118 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.886 112.1 47.4 -60.6 -40.8 -30.4 -8.3 23.3 110 119 A H H X S+ 0 0 28 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.761 113.6 48.0 -72.0 -27.3 -31.3 -6.1 26.2 111 120 A E H X>S+ 0 0 79 -4,-1.5 4,-2.4 2,-0.2 5,-0.7 0.905 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