==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAY-08 3D9G . COMPND 2 MOLECULE: NITROALKANE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR A.HEROUX,D.M.BOZINOVSKI,M.P.VALLEY,P.F.FITZPATRICK,A.M.ORVIL . 1721 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1235 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 7.8 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 . 4 0.2 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 . 61 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 238 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 688 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.6 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 5 8 3 2 6 7 1 0 5 0 0 0 6 0 0 2 0 0 0 0 0 0 0 0 4 0 8 RESIDUES PER ALPHA HELIX . 4 4 0 4 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 . 10 0 0 4 4 4 2 2 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 4 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 2 A V 0 0 36 0, 0.0 2,-0.3 0, 0.0 865,-0.2 0.000 360.0 360.0 360.0 126.1 69.6 -5.1 -28.9 2 3 A D B -A 865 0A 66 863,-3.0 863,-3.1 1,-0.1 865,-0.1 -0.986 360.0-179.5-142.4 138.6 67.6 -2.5 -27.0 3 4 A F + 0 0 6 -2,-0.3 2,-0.2 861,-0.2 -1,-0.1 0.295 45.8 123.1-119.9 2.9 63.9 -2.2 -26.0 4 5 A K - 0 0 133 861,-0.1 2,-0.3 1,-0.1 1287,-0.1 -0.480 56.7-129.5 -80.6 138.9 64.1 1.2 -24.2 5 6 A L - 0 0 26 1285,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.616 16.1-131.8 -89.3 144.5 61.8 4.0 -25.3 6 7 A S > - 0 0 40 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.329 30.7-101.5 -84.2 167.2 63.1 7.5 -26.1 7 8 A P H > S+ 0 0 113 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.889 125.4 50.2 -54.2 -39.3 61.5 10.8 -24.8 8 9 A S H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.879 111.1 48.0 -69.2 -38.3 59.8 11.2 -28.2 9 10 A Q H > S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 114.2 46.9 -64.2 -44.7 58.5 7.7 -28.2 10 11 A L H X S+ 0 0 76 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.863 112.2 50.6 -64.6 -35.2 57.2 8.3 -24.7 11 12 A E H X S+ 0 0 89 -4,-2.4 4,-3.4 -5,-0.2 5,-0.2 0.901 105.9 55.3 -69.0 -39.5 55.7 11.6 -25.7 12 13 A A H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 110.3 47.0 -58.6 -41.8 53.9 10.0 -28.7 13 14 A R H X S+ 0 0 41 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.961 113.4 46.6 -62.0 -54.4 52.3 7.6 -26.3 14 15 A R H X S+ 0 0 118 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.916 114.7 48.4 -52.8 -48.1 51.3 10.3 -23.8 15 16 A H H X S+ 0 0 50 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.899 111.5 48.5 -60.7 -45.7 49.9 12.4 -26.7 16 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.920 112.3 50.4 -62.2 -42.6 48.0 9.5 -28.2 17 18 A Q H X S+ 0 0 57 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.916 109.6 48.8 -59.8 -48.8 46.5 8.7 -24.8 18 19 A A H X S+ 0 0 33 -4,-2.4 4,-3.3 2,-0.2 5,-0.4 0.939 113.5 47.7 -59.5 -46.0 45.4 12.3 -24.1 19 20 A F H X>S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 5,-1.7 0.909 113.6 47.3 -61.9 -44.6 43.7 12.6 -27.5 20 21 A A H <>S+ 0 0 0 -4,-2.5 5,-1.6 3,-0.2 -2,-0.2 0.926 118.6 41.4 -61.5 -43.9 42.0 9.2 -27.0 21 22 A N H <5S+ 0 0 89 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.908 124.2 33.6 -72.0 -45.0 40.8 10.2 -23.5 22 23 A T H <5S+ 0 0 83 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.876 135.4 18.1 -82.3 -39.6 39.8 13.8 -24.2 23 24 A V T ><5S+ 0 0 16 -4,-2.1 3,-1.7 -5,-0.4 4,-0.3 0.907 123.0 46.0 -99.1 -60.9 38.5 13.5 -27.7 24 25 A L G >> S+ 0 0 138 -3,-1.7 4,-0.6 1,-0.2 3,-0.4 0.559 85.6 81.9 -91.7 -10.9 33.1 11.5 -26.7 27 28 A A H X> S+ 0 0 0 -3,-1.9 4,-2.4 -4,-0.3 3,-1.4 0.893 81.2 63.0 -62.2 -42.7 32.5 9.9 -30.2 28 29 A S H 3X S+ 0 0 51 -4,-0.5 4,-1.9 1,-0.3 -1,-0.2 0.831 95.9 58.8 -53.7 -40.4 30.2 7.2 -28.9 29 30 A A H 34 S+ 0 0 71 -3,-0.4 -1,-0.3 -4,-0.2 4,-0.3 0.798 114.0 39.4 -59.5 -30.1 27.6 9.8 -27.8 30 31 A E H X< S+ 0 0 100 -3,-1.4 3,-0.6 -4,-0.6 -2,-0.2 0.916 119.0 40.4 -85.4 -52.3 27.4 11.1 -31.4 31 32 A Y H >< S+ 0 0 11 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.751 101.7 70.0 -75.7 -22.3 27.6 7.9 -33.5 32 33 A S T 3< S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.3 -3,-0.1 0.763 94.4 55.9 -67.3 -27.4 25.3 5.7 -31.4 33 34 A T T < S+ 0 0 112 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.549 89.3 102.2 -81.0 -8.7 22.2 7.7 -32.3 34 35 A Q < - 0 0 78 -3,-1.3 3,-0.0 -4,-0.2 6,-0.0 -0.387 65.1-142.0 -83.9 159.9 22.7 7.2 -36.0 35 36 A K S S+ 0 0 167 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.564 71.0 13.7-101.0 -16.0 20.8 4.6 -38.2 36 37 A D S > S- 0 0 46 1,-0.1 4,-2.5 201,-0.0 5,-0.2 -0.950 85.5 -86.2-157.3 167.9 23.4 3.2 -40.7 37 38 A Q H > S+ 0 0 1 -2,-0.3 4,-2.7 193,-0.2 5,-0.2 0.891 123.7 46.3 -49.4 -51.5 27.1 2.9 -41.4 38 39 A L H > S+ 0 0 27 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.934 111.5 50.0 -60.3 -52.1 27.3 6.2 -43.4 39 40 A S H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 114.9 46.1 -50.9 -45.5 25.3 8.2 -40.8 40 41 A R H < S+ 0 0 25 -4,-2.5 4,-0.3 197,-0.2 -2,-0.2 0.872 113.2 49.1 -65.5 -40.9 27.6 6.8 -38.1 41 42 A F H >< S+ 0 0 0 -4,-2.7 3,-1.5 -5,-0.2 -2,-0.2 0.921 110.5 50.3 -62.6 -44.6 30.7 7.5 -40.2 42 43 A Q H >< S+ 0 0 78 -4,-3.1 3,-1.7 1,-0.3 -2,-0.2 0.853 102.1 62.2 -65.9 -33.5 29.6 11.1 -40.9 43 44 A A T 3< S+ 0 0 20 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.585 98.3 58.0 -67.5 -12.0 29.0 11.6 -37.1 44 45 A T T X> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.3 3,-1.2 0.436 76.6 97.6 -96.1 -2.0 32.7 11.0 -36.6 45 46 A R H <> S+ 0 0 102 -3,-1.7 4,-2.8 1,-0.3 -1,-0.1 0.907 79.5 54.1 -53.0 -48.2 33.8 13.9 -38.9 46 47 A P H 3> S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.739 109.3 49.3 -59.6 -23.3 34.3 16.3 -36.0 47 48 A F H <> S+ 0 0 20 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.821 109.6 48.8 -87.6 -33.8 36.6 13.8 -34.3 48 49 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.885 108.8 56.6 -66.3 -38.8 38.7 13.3 -37.4 49 50 A R H X S+ 0 0 69 -4,-2.8 4,-2.3 -5,-0.2 3,-0.2 0.958 108.4 45.9 -51.6 -53.5 38.7 17.1 -37.5 50 51 A E H X S+ 0 0 54 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.835 108.5 56.5 -59.5 -36.4 40.3 17.1 -34.0 51 52 A A H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 6,-0.4 0.886 108.2 47.1 -61.7 -41.1 42.7 14.4 -35.1 52 53 A V H ><5S+ 0 0 6 -4,-2.2 3,-1.7 -3,-0.2 6,-0.2 0.926 110.7 52.0 -65.0 -45.7 43.9 16.7 -37.9 53 54 A R H 3<5S+ 0 0 155 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.794 107.4 53.0 -58.1 -33.0 44.1 19.6 -35.4 54 55 A H T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.400 119.8-115.0 -84.7 2.0 46.3 17.3 -33.1 55 56 A G T <>5S+ 0 0 24 -3,-1.7 4,-1.6 -5,-0.1 -3,-0.2 0.653 75.8 132.5 79.1 18.0 48.5 16.7 -36.1 56 57 A L T 44 S+ 0 0 0 -6,-0.4 3,-1.8 2,-0.2 -1,-0.2 0.893 111.2 49.9 -77.6 -43.1 47.1 13.0 -40.2 58 59 A K G >4 S+ 0 0 76 1,-0.3 10,-2.0 -6,-0.2 3,-1.7 0.848 101.7 65.1 -60.7 -34.9 50.3 14.9 -40.8 59 60 A A G 3< S+ 0 0 13 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.558 89.8 67.0 -63.7 -9.7 52.0 12.3 -38.6 60 61 A Q G < S+ 0 0 6 -3,-1.8 -1,-0.3 59,-0.2 -2,-0.2 0.504 92.1 70.8 -89.0 -6.4 51.1 9.7 -41.3 61 62 A V S < S- 0 0 0 -3,-1.7 8,-2.5 -4,-0.2 7,-0.2 -0.924 90.2-110.8-115.9 134.0 53.5 11.2 -43.8 62 63 A P B > > -b 69 0B 35 0, 0.0 5,-2.4 0, 0.0 3,-1.0 -0.127 26.0-113.8 -61.4 160.9 57.3 11.0 -43.5 63 64 A I G > 5S+ 0 0 105 6,-0.7 3,-2.2 1,-0.2 7,-0.1 0.898 112.6 60.2 -67.9 -42.1 59.4 14.1 -42.7 64 65 A P G 3 5S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.674 107.4 50.4 -59.4 -11.7 61.3 14.2 -46.0 65 66 A L G < 5S- 0 0 45 -3,-1.0 -2,-0.2 47,-0.0 3,-0.1 0.205 130.1 -91.1-110.7 12.3 57.8 14.7 -47.6 66 67 A G T < 5S+ 0 0 34 -3,-2.2 -3,-0.2 1,-0.3 2,-0.1 0.469 92.5 108.4 95.0 2.9 56.6 17.5 -45.4 67 68 A G S - 0 0 21 1,-0.0 4,-1.6 -9,-0.0 -1,-0.4 -0.955 52.7 -98.3-164.3 177.7 59.2 6.3 -37.1 72 73 A L H > S+ 0 0 10 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.716 121.8 56.7 -79.2 -23.9 57.1 3.1 -37.4 73 74 A V H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 107.2 48.8 -67.2 -45.0 57.6 2.3 -33.7 74 75 A H H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.922 112.8 48.9 -56.0 -45.4 56.1 5.7 -32.9 75 76 A E H X S+ 0 0 3 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.927 110.6 49.5 -61.0 -46.8 53.3 4.9 -35.3 76 77 A S H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.887 112.2 48.6 -60.0 -40.8 52.8 1.4 -33.6 77 78 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.920 111.9 49.3 -65.3 -44.3 52.7 3.0 -30.2 78 79 A I H X S+ 0 0 16 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.959 111.8 47.8 -59.7 -52.7 50.2 5.7 -31.4 79 80 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.823 107.8 55.6 -59.2 -37.2 47.9 3.1 -32.9 80 81 A E H X S+ 0 0 2 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.932 110.3 45.2 -61.7 -45.2 47.9 0.8 -29.8 81 82 A E H < S+ 0 0 4 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.874 114.2 47.9 -67.3 -40.4 46.8 3.7 -27.6 82 83 A L H >X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 3,-1.4 0.950 113.2 45.9 -66.5 -51.1 44.1 4.9 -29.9 83 84 A F H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.750 102.1 66.4 -69.5 -23.2 42.6 1.4 -30.6 84 85 A A T 3< S+ 0 0 17 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.677 117.6 26.0 -65.1 -19.0 42.6 0.6 -26.8 85 86 A V T <4 S- 0 0 39 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.804 136.6 -9.9-108.4 -51.0 40.0 3.3 -26.3 86 87 A E X - 0 0 11 -4,-2.8 4,-0.6 -5,-0.1 -2,-0.1 -0.790 39.2-164.2-164.6 102.7 38.1 3.8 -29.5 87 88 A P H > + 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.709 67.8 104.8 -59.2 -26.8 38.6 2.4 -33.1 88 89 A A H 4 S+ 0 0 2 1,-0.2 2,-2.7 2,-0.2 -61,-0.1 -0.379 99.0 0.1 -56.1 138.4 36.2 5.1 -34.4 89 90 A T H > S+ 0 0 0 149,-0.2 4,-2.1 1,-0.2 -1,-0.2 -0.236 123.8 77.1 68.5 -48.2 38.2 7.9 -36.2 90 91 A S H X S+ 0 0 0 -2,-2.7 4,-1.6 -4,-0.6 -2,-0.2 0.913 93.7 49.6 -49.7 -46.4 41.3 5.9 -35.3 91 92 A I H X S+ 0 0 10 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.875 107.5 54.4 -61.4 -39.1 40.4 3.5 -38.2 92 93 A T H > S+ 0 0 0 -5,-0.3 4,-2.1 1,-0.2 36,-0.3 0.876 105.7 52.9 -63.1 -40.3 40.0 6.5 -40.5 93 94 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.925 113.7 40.9 -60.6 -47.9 43.5 7.8 -39.7 94 95 A V H X S+ 0 0 17 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.815 112.5 54.1 -79.3 -29.5 45.3 4.6 -40.5 95 96 A A H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 35,-0.3 0.863 109.1 49.9 -66.5 -37.5 43.1 3.9 -43.6 96 97 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.933 108.2 54.3 -61.8 -46.0 44.1 7.4 -44.8 97 98 A A H X S+ 0 0 4 -4,-2.2 4,-1.3 1,-0.2 3,-0.3 0.914 109.3 46.6 -52.9 -48.7 47.8 6.3 -44.1 98 99 A L H >< S+ 0 0 27 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.915 109.7 54.6 -57.2 -47.6 47.3 3.2 -46.3 99 100 A G H 3< S+ 0 0 0 -4,-2.2 4,-0.4 29,-0.3 30,-0.3 0.799 111.8 44.5 -57.3 -31.9 45.7 5.4 -49.0 100 101 A L H 3X S+ 0 0 0 -4,-1.8 4,-2.9 -3,-0.3 3,-0.3 0.684 91.4 86.0 -87.5 -20.5 48.7 7.7 -49.0 101 102 A M H S+ 0 0 1 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.920 115.3 43.2 -60.9 -39.9 51.6 4.3 -52.7 103 104 A V H >4 S+ 0 0 0 -4,-0.4 3,-1.1 -3,-0.3 5,-0.2 0.962 113.9 50.5 -65.4 -50.4 52.2 8.0 -53.3 104 105 A I H 3< S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.841 115.2 45.0 -52.8 -36.2 54.6 8.2 -50.3 105 106 A L H 3< S+ 0 0 62 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.594 91.1 104.5 -86.9 -14.2 56.5 5.2 -51.8 106 107 A C S << S- 0 0 6 -3,-1.1 6,-0.1 -4,-0.9 152,-0.1 -0.277 74.3-123.4 -77.5 159.1 56.7 6.2 -55.5 107 108 A D S S+ 0 0 112 1,-0.1 -1,-0.1 4,-0.0 -3,-0.1 0.102 82.3 97.3 -89.0 23.7 59.8 7.6 -57.3 108 109 A S > - 0 0 22 -5,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.864 47.9-173.6-120.3 98.2 58.1 10.8 -58.4 109 110 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.744 88.3 54.5 -56.8 -27.9 58.7 13.9 -56.2 110 111 A S H > S+ 0 0 89 2,-0.2 4,-1.8 1,-0.1 5,-0.2 0.862 107.7 47.6 -78.6 -39.9 56.2 16.0 -58.3 111 112 A L H > S+ 0 0 21 -3,-0.3 4,-2.8 2,-0.2 5,-0.4 0.958 112.9 51.4 -56.9 -52.4 53.4 13.5 -57.8 112 113 A Q H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.911 111.0 46.3 -49.6 -51.7 54.2 13.5 -54.0 113 114 A E H X S+ 0 0 115 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.867 116.4 44.3 -64.0 -40.6 54.2 17.3 -53.7 114 115 A K H < S+ 0 0 109 -4,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.947 123.3 32.3 -70.1 -49.0 50.9 17.7 -55.6 115 116 A F H < S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.846 117.3 50.1 -87.3 -34.6 48.9 14.9 -54.0 116 117 A L H >X S+ 0 0 3 -4,-2.4 3,-2.3 -5,-0.4 4,-0.8 0.705 86.9 97.1 -71.6 -20.3 50.2 14.7 -50.4 117 118 A K G >< S+ 0 0 115 -4,-0.6 3,-1.2 -5,-0.3 4,-0.5 0.799 78.5 47.1 -41.5 -55.3 49.7 18.5 -50.1 118 119 A P G 34 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 5,-0.3 0.622 107.4 59.1 -72.0 -7.0 46.4 18.6 -48.3 119 120 A F G <4 S+ 0 0 3 -3,-2.3 -59,-0.2 1,-0.2 -2,-0.2 0.637 105.8 46.0 -94.1 -17.5 47.4 16.0 -45.7 120 121 A I S << S+ 0 0 43 -3,-1.2 -1,-0.2 -4,-0.8 -3,-0.1 0.402 91.6 86.5-100.5 1.1 50.4 17.9 -44.4 121 122 A S S S- 0 0 54 -4,-0.5 -1,-0.1 2,-0.2 -2,-0.1 0.733 84.6-137.2 -77.0 -27.3 48.4 21.2 -44.1 122 123 A G S S+ 0 0 33 1,-0.3 2,-0.3 -4,-0.2 -67,-0.1 0.521 71.0 96.4 80.0 5.7 46.9 20.6 -40.6 123 124 A E + 0 0 137 -5,-0.3 -1,-0.3 -70,-0.0 -2,-0.2 -0.827 68.3 11.1-126.2 164.5 43.5 21.9 -41.7 124 125 A G S S- 0 0 33 -2,-0.3 -72,-0.1 1,-0.2 -71,-0.1 -0.147 87.5 -79.3 67.9-164.2 40.3 20.4 -43.0 125 126 A E - 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0 0 8 -5,-2.1 -1,-0.2 2,-0.1 -8,-0.2 -0.142 69.2-122.0 -91.8-164.5 2.9 -33.3 -22.0 499 69 B T + 0 0 57 -10,-1.8 -9,-0.3 -7,-0.3 2,-0.2 0.316 55.1 137.6-126.5 4.3 4.2 -34.7 -25.3 500 70 B M B -m 493 0G 28 -8,-2.3 -6,-0.9 -11,-0.7 3,-0.1 -0.391 30.3-171.3 -56.8 117.7 8.0 -34.9 -24.8 501 71 B E - 0 0 107 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.843 60.2 -37.8 -84.9 -35.0 8.9 -38.3 -26.3 502 72 B S > - 0 0 21 1,-0.0 4,-2.1 -9,-0.0 -1,-0.3 -0.943 54.9 -98.7-175.4 168.4 12.6 -38.3 -25.1 503 73 B L H > S+ 0 0 13 -2,-0.3 4,-2.0 2,-0.2 266,-0.1 0.740 122.4 57.0 -72.3 -24.8 15.6 -36.0 -24.6 504 74 B V H > S+ 0 0 4 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.915 106.3 49.7 -67.4 -43.8 17.0 -37.2 -27.9 505 75 B H H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.951 112.0 48.7 -55.1 -49.8 13.8 -36.0 -29.6 506 76 B E H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 109.6 51.9 -56.2 -42.1 14.3 -32.7 -27.7 507 77 B S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.891 109.8 48.9 -65.3 -42.4 17.9 -32.5 -28.9 508 78 B I H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.959 112.0 48.9 -61.0 -51.4 16.9 -33.0 -32.5 509 79 B I H X S+ 0 0 15 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.920 111.4 48.9 -53.3 -51.2 14.2 -30.3 -32.2 510 80 B L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.862 108.1 53.5 -63.8 -39.1 16.5 -27.7 -30.6 511 81 B E H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.898 111.1 46.3 -60.2 -43.2 19.3 -28.2 -33.2 512 82 B E H < S+ 0 0 5 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.930 114.6 46.9 -67.7 -45.0 16.9 -27.5 -36.1 513 83 B L H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-1.3 0.927 114.5 45.9 -58.6 -49.4 15.4 -24.5 -34.4 514 84 B F H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.795 101.6 66.1 -73.5 -25.4 18.7 -22.9 -33.5 515 85 B A T 3< S+ 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.693 118.7 23.9 -59.5 -21.2 20.1 -23.6 -37.0 516 86 B V T <4 S- 0 0 39 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.1 0.789 135.0 -7.2-113.4 -55.1 17.5 -21.1 -38.3 517 87 B E < - 0 0 10 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 -0.864 39.4-167.6-157.7 108.0 16.5 -18.6 -35.6 518 88 B P > + 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.626 65.6 105.2 -69.1 -16.9 17.3 -18.6 -31.9 519 89 B A T 4 S+ 0 0 2 1,-0.2 2,-2.2 2,-0.2 -61,-0.1 -0.494 99.8 0.3 -62.3 137.6 14.5 -15.9 -31.4 520 90 B T T > S+ 0 0 0 1,-0.2 4,-2.2 149,-0.2 -1,-0.2 -0.206 121.9 78.4 70.9 -47.5 11.5 -17.7 -29.7 521 91 B S H > S+ 0 0 0 -2,-2.2 4,-2.0 -4,-0.5 5,-0.2 0.934 94.2 50.2 -49.2 -47.6 13.5 -20.9 -29.8 522 92 B I H X S+ 0 0 10 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.840 107.0 54.0 -60.0 -36.1 15.4 -19.5 -26.7 523 93 B T H > S+ 0 0 0 -5,-0.3 4,-1.9 2,-0.2 36,-0.3 0.921 107.4 51.2 -66.3 -42.9 12.0 -18.7 -25.0 524 94 B I H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 114.3 41.0 -58.1 -56.2 10.8 -22.3 -25.4 525 95 B V H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.824 112.7 55.2 -64.8 -31.9 13.9 -23.9 -23.9 526 96 B A H X S+ 0 0 9 -4,-2.1 4,-1.8 -5,-0.2 35,-0.4 0.853 108.6 49.4 -69.1 -33.4 14.1 -21.2 -21.2 527 97 B T H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.913 106.8 55.5 -65.9 -45.3 10.5 -22.2 -20.3 528 98 B A H X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.922 109.6 46.3 -54.2 -47.7 11.5 -25.8 -20.2 529 99 B L H < S+ 0 0 31 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.891 109.7 53.5 -60.4 -45.0 14.1 -25.0 -17.7 530 100 B G H < S+ 0 0 0 -4,-1.8 30,-0.3 29,-0.3 4,-0.3 0.809 112.1 47.0 -60.2 -31.2 11.7 -22.9 -15.6 531 101 B L H >X S+ 0 0 0 -4,-2.1 4,-2.2 28,-0.2 3,-0.8 0.703 91.5 84.3 -78.7 -23.3 9.3 -26.0 -15.6 532 102 B M H 3X S+ 0 0 14 -4,-1.2 4,-2.4 -3,-0.4 5,-0.2 0.844 82.8 55.3 -55.4 -46.1 12.1 -28.5 -14.6 533 103 B P H 3> S+ 0 0 0 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.855 114.6 42.0 -57.0 -34.7 12.0 -28.0 -10.8 534 104 B V H <4 S+ 0 0 0 -3,-0.8 3,-0.3 -4,-0.3 5,-0.2 0.868 113.7 52.1 -75.9 -38.7 8.2 -28.8 -10.9 535 105 B I H < S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.832 114.6 42.8 -64.0 -35.0 8.6 -31.6 -13.3 536 106 B L H < S+ 0 0 56 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.560 93.8 100.1 -92.0 -12.5 11.3 -33.2 -11.1 537 107 B C S < S- 0 0 9 -4,-0.7 152,-0.1 -3,-0.3 -3,-0.1 -0.168 74.8-126.9 -70.3 168.5 9.6 -32.7 -7.8 538 108 B D S S+ 0 0 114 1,-0.0 -1,-0.1 4,-0.0 -3,-0.1 0.047 75.6 104.7-107.7 28.2 7.7 -35.6 -6.0 539 109 B S > - 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0 0 22 -3,-1.6 -5,-0.1 -6,-0.2 -6,-0.0 -0.119 31.8-166.0 -40.2 120.8 27.9 -34.2 -50.7 1716 423 D E > - 0 0 73 1,-0.1 3,-1.2 2,-0.0 4,-0.3 -0.914 2.5-168.2-114.4 101.7 25.5 -34.8 -47.9 1717 424 D P T 3 S+ 0 0 25 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.826 84.2 36.0 -59.5 -36.1 27.2 -33.8 -44.7 1718 425 D W T >> S+ 0 0 18 1,-0.2 4,-3.1 2,-0.1 3,-1.7 0.196 78.3 111.8-107.7 15.5 24.6 -35.3 -42.3 1719 426 D A H <> S+ 0 0 3 -3,-1.2 4,-1.4 1,-0.3 -1,-0.2 0.826 75.1 58.3 -60.1 -35.5 23.6 -38.5 -44.1 1720 427 D A H 34 S+ 0 0 15 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.642 120.8 28.2 -68.2 -13.7 25.2 -40.8 -41.5 1721 428 D T H <4 S+ 0 0 11 -3,-1.7 -2,-0.2 2,-0.2 -1285,-0.2 0.793 134.6 24.3-110.9 -51.7 23.0 -39.1 -38.8 1722 429 D Y H < S- 0 0 14 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.276 103.3-119.5-107.3 8.6 19.8 -37.9 -40.5 1723 430 D G < 0 0 39 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.037 360.0 360.0 72.9 172.0 19.6 -40.2 -43.5 1724 431 D S 0 0 102 -5,-0.1 -1,-0.2 -4,-0.1 -5,-0.1 0.646 360.0 360.0 -77.1 360.0 19.6 -39.2 -47.2