==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-SEP-07 2REH . COMPND 2 MOLECULE: NITROALKANE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR P.F.FITZPATRICK,D.M.BOZINOVSKI,A.HEROUX,P.G.SHAW,M.P.VALLEY, . 1720 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1262 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 7.7 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 . 81 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 246 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 689 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 7 6 3 3 7 4 4 1 3 0 0 1 5 0 0 2 0 0 0 0 0 0 0 0 3 1 8 RESIDUES PER ALPHA HELIX . 4 5 0 3 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 . 11 1 0 5 3 3 1 3 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 1 0 1 0 3 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, 0.0 864,-0.2 0.000 360.0 360.0 360.0 125.0 -85.2 47.9 27.3 2 3 A D B -A 864 0A 64 862,-2.2 862,-2.9 1,-0.1 864,-0.1 -0.995 360.0-179.4-152.1 136.1 -84.9 50.5 24.5 3 4 A F + 0 0 7 -2,-0.3 -1,-0.1 860,-0.2 862,-0.0 0.515 46.4 118.5-119.9 -9.9 -82.0 52.3 22.8 4 5 A K - 0 0 139 1,-0.1 2,-0.3 860,-0.0 1286,-0.1 -0.286 61.5-125.0 -60.4 142.6 -83.8 54.5 20.2 5 6 A L - 0 0 27 1284,-0.2 -1,-0.1 858,-0.1 -2,-0.1 -0.695 15.6-127.1 -94.7 147.4 -83.3 58.3 20.8 6 7 A S >> - 0 0 38 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.387 32.3-100.6 -79.3 162.3 -86.1 60.9 21.2 7 8 A P H 3> S+ 0 0 113 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.811 123.8 52.8 -49.4 -34.8 -86.3 64.1 19.1 8 9 A S H 3> S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 62,-0.1 0.782 109.8 51.0 -76.3 -26.2 -84.8 66.2 21.9 9 10 A Q H <> S+ 0 0 14 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.929 110.5 45.7 -75.1 -53.9 -81.9 63.8 22.0 10 11 A L H X S+ 0 0 81 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.871 115.9 48.1 -54.5 -40.1 -81.2 64.0 18.3 11 12 A E H X S+ 0 0 89 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.872 105.3 57.1 -68.5 -37.0 -81.6 67.8 18.5 12 13 A A H X S+ 0 0 8 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.932 112.2 44.8 -57.3 -41.8 -79.2 68.1 21.5 13 14 A R H X S+ 0 0 38 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.912 111.6 48.4 -65.0 -52.9 -76.7 66.3 19.3 14 15 A R H X S+ 0 0 121 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.933 113.9 51.0 -56.0 -46.4 -77.2 68.4 16.1 15 16 A H H X S+ 0 0 48 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.926 110.3 46.8 -59.9 -43.6 -76.9 71.4 18.3 16 17 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.913 114.2 47.4 -69.1 -41.9 -73.6 70.3 19.9 17 18 A Q H X S+ 0 0 66 -4,-2.9 4,-2.9 2,-0.2 3,-0.4 0.978 111.2 51.5 -60.3 -55.3 -72.0 69.3 16.6 18 19 A A H X S+ 0 0 38 -4,-2.7 4,-2.3 1,-0.3 5,-0.3 0.903 113.7 45.3 -48.1 -47.9 -73.2 72.7 15.0 19 20 A F H X>S+ 0 0 1 -4,-2.4 5,-1.4 -5,-0.2 4,-1.1 0.789 112.7 49.3 -68.0 -32.0 -71.6 74.5 18.0 20 21 A A H <>S+ 0 0 0 -4,-2.0 5,-1.6 -3,-0.4 -2,-0.2 0.947 117.2 41.2 -74.0 -43.3 -68.3 72.5 17.9 21 22 A N H <5S+ 0 0 93 -4,-2.9 -2,-0.2 3,-0.2 4,-0.2 0.917 122.6 36.3 -63.8 -49.8 -67.8 73.0 14.1 22 23 A T H <5S+ 0 0 74 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.801 135.1 17.4 -82.1 -28.0 -68.8 76.6 13.8 23 24 A V T ><5S+ 0 0 15 -4,-1.1 3,-1.1 -5,-0.3 -3,-0.2 0.847 121.7 47.4-109.3 -50.5 -67.4 77.9 17.1 24 25 A L G > S+ 0 0 1 -3,-2.3 4,-2.3 1,-0.2 3,-1.4 0.863 81.0 62.4 -80.1 -44.4 -60.3 78.3 19.1 28 29 A S H 3> S+ 0 0 48 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.829 95.6 61.5 -42.0 -45.6 -57.0 76.8 18.2 29 30 A A H 34 S+ 0 0 69 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.770 114.0 36.9 -59.9 -27.4 -56.0 79.8 16.0 30 31 A E H <4 S+ 0 0 109 -3,-1.4 3,-0.3 -4,-0.3 -2,-0.2 0.840 120.7 40.6 -93.2 -44.5 -56.2 81.9 19.2 31 32 A Y H >< S+ 0 0 13 -4,-2.3 3,-1.7 1,-0.2 -3,-0.2 0.833 104.5 66.7 -79.1 -31.0 -54.8 79.7 21.9 32 33 A S T 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -3,-0.1 0.721 92.8 61.0 -57.6 -27.8 -51.9 78.2 19.9 33 34 A T T 3 S+ 0 0 110 -3,-0.3 -1,-0.3 -5,-0.2 2,-0.3 0.281 89.5 97.8 -89.0 11.2 -50.2 81.5 19.6 34 35 A Q < - 0 0 74 -3,-1.7 6,-0.1 1,-0.1 -3,-0.0 -0.745 62.7-146.5-111.7 155.5 -49.8 81.7 23.4 35 36 A K S S+ 0 0 170 -2,-0.3 2,-0.3 4,-0.0 -1,-0.1 0.593 71.5 33.2 -96.0 -18.1 -46.9 80.9 25.7 36 37 A D S > S- 0 0 47 1,-0.1 4,-2.0 202,-0.0 5,-0.2 -0.939 79.8-104.7-142.5 157.9 -48.3 79.6 29.0 37 38 A Q H > S+ 0 0 1 -2,-0.3 4,-2.2 193,-0.2 3,-0.1 0.907 118.7 51.2 -44.5 -53.0 -51.4 77.5 30.4 38 39 A L H > S+ 0 0 27 1,-0.2 4,-3.7 2,-0.2 -1,-0.2 0.853 109.9 48.0 -60.4 -42.2 -53.0 80.7 31.8 39 40 A S H > S+ 0 0 17 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.817 111.7 50.2 -61.6 -43.2 -52.8 82.7 28.5 40 41 A R H < S+ 0 0 25 -4,-2.0 4,-0.4 197,-0.2 -2,-0.2 0.858 113.4 46.4 -68.0 -36.4 -54.1 79.8 26.6 41 42 A F H >X S+ 0 0 0 -4,-2.2 3,-2.0 -5,-0.2 4,-0.5 0.977 113.4 48.0 -67.0 -54.9 -57.0 79.6 29.1 42 43 A Q H >< S+ 0 0 79 -4,-3.7 3,-1.5 1,-0.3 -2,-0.2 0.884 106.2 59.1 -52.1 -36.1 -57.6 83.4 28.9 43 44 A A T 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.681 98.8 60.4 -66.7 -15.9 -57.6 83.1 25.1 44 45 A T T X> S+ 0 0 0 -3,-2.0 3,-2.3 -4,-0.4 4,-1.9 0.602 75.3 98.3 -87.3 -15.5 -60.5 80.7 25.4 45 46 A R H S+ 0 0 77 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.697 108.8 50.7 -57.9 -25.6 -64.7 84.3 23.9 47 48 A F H <> S+ 0 0 23 -3,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.877 109.8 48.1 -84.0 -39.8 -65.5 80.6 23.2 48 49 A Y H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 3,-0.3 0.936 109.6 55.2 -58.2 -46.3 -66.8 80.1 26.7 49 50 A R H X S+ 0 0 67 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.922 109.2 46.7 -54.0 -45.0 -68.8 83.4 26.1 50 51 A E H X S+ 0 0 56 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.818 107.6 58.2 -64.4 -33.5 -70.4 81.8 22.9 51 52 A A H <>S+ 0 0 0 -4,-1.6 5,-2.3 -3,-0.3 4,-0.4 0.894 106.6 45.9 -66.4 -45.1 -71.2 78.6 24.8 52 53 A V H ><5S+ 0 0 8 -4,-2.0 3,-1.9 1,-0.2 6,-0.3 0.951 111.6 53.0 -57.0 -47.9 -73.2 80.5 27.4 53 54 A R H 3<5S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 107.5 53.2 -59.7 -26.7 -75.0 82.3 24.6 54 55 A H T 3<5S- 0 0 53 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.478 120.1-111.7 -91.5 -7.0 -75.7 78.9 23.0 55 56 A G T <>5S+ 0 0 22 -3,-1.9 4,-2.4 -4,-0.4 -3,-0.2 0.341 80.0 126.9 102.0 -2.0 -77.3 77.7 26.3 56 57 A L T 44 S+ 0 0 2 -6,-0.4 3,-1.5 2,-0.2 -1,-0.3 0.804 112.8 53.2 -83.7 -32.2 -73.9 76.4 30.6 58 59 A K G >4 S+ 0 0 70 1,-0.3 10,-1.9 -6,-0.3 3,-1.4 0.849 102.0 61.1 -72.3 -34.4 -77.6 76.7 31.4 59 60 A A G 3< S+ 0 0 17 -4,-2.4 -1,-0.3 9,-0.3 -2,-0.2 0.393 89.4 70.2 -73.3 4.2 -77.9 73.1 30.2 60 61 A Q G < S+ 0 0 7 -3,-1.5 -1,-0.2 59,-0.2 -2,-0.2 0.421 92.4 73.4 -89.5 -3.5 -75.5 72.1 33.1 61 62 A V S < S- 0 0 0 -3,-1.4 8,-2.9 58,-0.1 7,-0.5 -0.931 92.0-107.6-119.7 130.1 -78.3 72.9 35.5 62 63 A P B > > -b 69 0B 30 0, 0.0 5,-2.2 0, 0.0 3,-1.4 -0.303 25.0-119.7 -56.8 140.2 -81.5 70.8 36.0 63 64 A I G > 5S+ 0 0 100 6,-1.2 3,-2.0 1,-0.2 7,-0.1 0.849 111.7 52.8 -42.0 -53.4 -84.9 72.1 34.7 64 65 A P G 3 5S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 0.649 107.4 53.2 -66.1 -15.7 -86.6 72.2 38.2 65 66 A L G < 5S- 0 0 47 -3,-1.4 -2,-0.2 47,-0.0 3,-0.1 0.169 132.5 -94.3 -98.9 11.7 -83.7 74.4 39.5 66 67 A G T < 5S+ 0 0 35 -3,-2.0 -3,-0.2 1,-0.2 -5,-0.0 0.339 91.1 109.6 98.0 -6.5 -84.2 76.8 36.6 67 68 A G S - 0 0 23 1,-0.0 4,-1.7 -9,-0.0 -1,-0.3 -0.909 55.8 -99.9 173.3 166.3 -81.3 64.3 31.2 72 73 A L H > S+ 0 0 11 -2,-0.2 4,-1.6 2,-0.2 266,-0.1 0.749 122.7 56.3 -87.4 -24.1 -77.9 62.8 31.7 73 74 A V H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 106.3 52.1 -63.2 -41.3 -78.0 60.9 28.5 74 75 A H H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.922 111.2 47.6 -58.1 -47.0 -78.7 64.3 26.9 75 76 A E H X S+ 0 0 5 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.841 110.6 52.5 -57.9 -38.9 -75.6 65.6 28.7 76 77 A S H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.925 107.8 49.1 -66.4 -52.1 -73.6 62.5 27.5 77 78 A I H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.8 48.9 -49.7 -48.8 -74.5 62.9 23.8 78 79 A I H X S+ 0 0 16 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.919 110.4 49.6 -65.3 -49.1 -73.4 66.6 24.0 79 80 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.908 105.9 57.2 -60.5 -50.8 -70.1 66.0 25.7 80 81 A E H < S+ 0 0 1 -4,-2.2 2,-1.3 2,-0.2 202,-0.1 -0.504 112.3 40.0 -56.5 154.1 -69.0 63.2 23.3 81 82 A E H 4 S+ 0 0 4 1,-0.2 5,-0.2 200,-0.2 -2,-0.2 -0.347 115.1 51.8 93.4 -67.3 -69.4 65.6 20.2 82 83 A L H >X S+ 0 0 1 -4,-1.9 4,-2.3 -2,-1.3 3,-1.1 0.922 116.1 41.6 -65.7 -45.9 -67.9 68.6 22.0 83 84 A F T 3< S+ 0 0 1 -4,-2.8 -3,-0.2 1,-0.3 -1,-0.2 0.727 104.3 65.1 -79.5 -20.7 -64.9 66.4 22.9 84 85 A A T 34 S+ 0 0 17 -5,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.496 118.9 25.1 -70.4 -7.1 -64.7 64.7 19.5 85 86 A V T <4 S- 0 0 35 -3,-1.1 -2,-0.2 -4,-0.1 -3,-0.1 0.659 134.3 -4.8-123.0 -61.5 -63.8 68.2 18.0 86 87 A E X - 0 0 9 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.1 -0.891 40.1-168.0-153.1 109.0 -62.2 70.4 20.7 87 88 A P H > + 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.627 66.5 102.8 -61.5 -22.1 -61.6 69.8 24.4 88 89 A A H 4 S+ 0 0 1 1,-0.2 2,-2.8 2,-0.2 -2,-0.1 -0.466 100.1 0.5 -66.7 144.4 -60.8 73.5 24.9 89 90 A T H >> S+ 0 0 0 1,-0.2 4,-2.2 149,-0.2 3,-1.1 -0.271 121.6 78.7 67.2 -53.7 -63.7 75.3 26.4 90 91 A S H 3X S+ 0 0 0 -2,-2.8 4,-1.8 -4,-0.5 -2,-0.2 0.837 94.2 49.3 -42.9 -41.4 -65.6 72.0 26.5 91 92 A I H 3X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.669 105.9 56.9 -77.3 -24.7 -63.6 71.1 29.6 92 93 A T H <> S+ 0 0 0 -3,-1.1 4,-1.6 -5,-0.2 36,-0.2 0.948 105.9 50.2 -70.7 -47.6 -64.5 74.5 31.1 93 94 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.928 113.3 44.4 -50.4 -55.8 -68.2 73.7 30.7 94 95 A V H X S+ 0 0 24 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.884 111.1 54.2 -63.0 -37.4 -67.8 70.3 32.4 95 96 A A H X S+ 0 0 12 -4,-1.8 4,-1.5 2,-0.2 35,-0.3 0.854 108.8 49.8 -64.5 -26.0 -65.6 71.8 35.2 96 97 A T H X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.4 -2,-0.2 0.900 107.6 54.9 -76.6 -41.5 -68.4 74.4 35.8 97 98 A A H X S+ 0 0 6 -4,-2.3 4,-0.8 1,-0.2 3,-0.4 0.938 108.7 45.8 -54.2 -51.9 -70.9 71.5 36.0 98 99 A L H >< S+ 0 0 23 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.915 112.0 53.8 -56.6 -42.4 -68.9 69.7 38.7 99 100 A G H 3< S+ 0 0 0 -4,-1.5 30,-0.3 29,-0.3 -1,-0.2 0.799 110.2 46.1 -66.8 -27.1 -68.5 73.0 40.5 100 101 A L H 3X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.4 3,-0.4 0.527 94.6 84.9 -85.2 -9.0 -72.3 73.5 40.5 101 102 A M H S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.774 115.6 44.7 -62.7 -19.8 -72.8 70.2 45.4 103 104 A V H >4 S+ 0 0 0 -3,-0.4 3,-0.5 2,-0.2 -2,-0.2 0.914 112.5 50.1 -78.5 -54.5 -75.3 73.1 45.1 104 105 A I H 3< S+ 0 0 25 -4,-2.6 -3,-0.2 1,-0.2 -1,-0.1 0.848 116.6 43.9 -39.2 -40.7 -77.6 71.2 42.6 105 106 A L H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.635 92.5 95.8 -96.7 -17.4 -77.5 68.2 44.9 106 107 A C S << S- 0 0 7 -4,-0.6 152,-0.1 -3,-0.5 -3,-0.1 -0.143 76.1-127.5 -66.2 173.5 -78.0 70.0 48.2 107 108 A D S S+ 0 0 136 1,-0.1 -1,-0.1 5,-0.0 -3,-0.1 0.253 74.3 102.2-113.6 14.0 -81.6 70.2 49.6 108 109 A S >> - 0 0 42 -5,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.860 47.6-168.3-107.9 101.7 -81.8 74.0 50.3 109 110 A P H 3> S+ 0 0 93 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.753 87.2 56.7 -55.1 -33.5 -83.8 76.1 47.7 110 111 A S H 3> S+ 0 0 85 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.872 110.4 44.0 -68.1 -35.4 -82.6 79.5 49.0 111 112 A L H <> S+ 0 0 21 -3,-0.6 4,-2.7 2,-0.2 5,-0.4 0.938 115.5 49.2 -71.2 -47.3 -78.9 78.5 48.5 112 113 A Q H X S+ 0 0 27 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.945 111.3 48.9 -51.8 -57.0 -79.8 77.0 45.1 113 114 A E H < S+ 0 0 122 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.910 117.8 41.2 -47.1 -49.2 -81.7 80.2 44.0 114 115 A K H < S+ 0 0 95 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.914 121.3 35.8 -69.8 -51.4 -78.9 82.5 45.1 115 116 A F H < S+ 0 0 14 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.708 116.6 50.2 -88.2 -23.8 -75.8 80.7 43.9 116 117 A L S X S+ 0 0 4 -4,-2.3 4,-0.8 -5,-0.4 -1,-0.2 0.478 84.0 93.0 -89.1 -2.1 -77.1 79.2 40.7 117 118 A K H >> S+ 0 0 112 -3,-0.4 3,-1.2 -4,-0.4 4,-0.7 0.935 82.7 49.7 -65.9 -48.6 -78.6 82.4 39.3 118 119 A P H >4 S+ 0 0 56 0, 0.0 3,-0.6 0, 0.0 5,-0.4 0.845 109.5 53.3 -50.6 -39.5 -75.4 83.6 37.2 119 120 A F H 34 S+ 0 0 5 -4,-0.3 -59,-0.2 1,-0.2 -2,-0.2 0.575 112.0 42.8 -82.4 -13.5 -75.2 80.1 35.6 120 121 A I H << S+ 0 0 43 -3,-1.2 -1,-0.2 -4,-0.8 -3,-0.1 0.437 92.1 90.7-105.3 0.8 -78.8 80.1 34.4 121 122 A S S << S- 0 0 53 -4,-0.7 -2,-0.1 -3,-0.6 3,-0.1 0.699 86.6-129.9 -74.4 -25.3 -78.8 83.7 33.2 122 123 A G S S+ 0 0 34 -4,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.487 75.8 93.5 88.0 5.7 -77.7 83.3 29.6 123 124 A E + 0 0 137 -5,-0.4 -1,-0.3 -71,-0.1 -2,-0.2 -0.939 65.9 9.2-139.6 150.4 -75.1 86.0 30.1 124 125 A G S S- 0 0 31 -2,-0.3 -72,-0.2 1,-0.2 -71,-0.1 -0.376 81.9 -82.8 86.3-164.8 -71.4 86.5 31.0 125 126 A E - 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0 0 77 -3,-2.0 -3,-0.0 -4,-0.2 3,-0.0 -0.268 67.6-133.8 -73.4 160.4 -36.2 77.6 20.4 466 36 B K - 0 0 182 1,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.805 68.7 -3.0 -88.4 -38.4 -39.2 78.2 18.0 467 37 B D S > S- 0 0 68 1,-0.0 4,-2.0 202,-0.0 5,-0.2 -0.809 89.7 -70.3-150.3-176.7 -39.8 75.3 15.7 468 38 B Q H > S+ 0 0 1 -2,-0.2 4,-2.3 193,-0.2 5,-0.1 0.912 126.2 40.9 -54.1 -58.6 -38.3 71.9 14.9 469 39 B L H > S+ 0 0 23 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.925 110.0 56.4 -54.3 -58.9 -35.0 73.0 13.1 470 40 B S H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 113.1 45.0 -38.0 -47.1 -34.3 75.9 15.6 471 41 B R H < S+ 0 0 27 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.911 113.0 48.8 -69.0 -42.9 -34.4 73.1 18.3 472 42 B F H >< S+ 0 0 0 -4,-2.3 3,-0.8 198,-0.2 -1,-0.2 0.888 113.9 47.5 -61.2 -42.9 -32.3 70.7 16.2 473 43 B Q H >< S+ 0 0 79 -4,-3.5 3,-1.6 1,-0.2 -2,-0.2 0.814 101.7 62.0 -65.5 -35.7 -29.8 73.4 15.6 474 44 B A T 3< S+ 0 0 17 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.563 99.2 63.6 -66.1 -1.1 -29.7 74.4 19.3 475 45 B T T X> S+ 0 0 0 -3,-0.8 4,-1.7 -4,-0.2 3,-0.9 0.541 72.4 92.9-101.7 -13.5 -28.4 70.8 19.6 476 46 B R H <> S+ 0 0 105 -3,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.822 79.4 57.3 -55.7 -44.9 -25.2 71.2 17.6 477 47 B P H 3> S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.833 109.3 47.1 -56.2 -33.5 -22.9 72.0 20.7 478 48 B F H <> S+ 0 0 19 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.837 111.6 47.9 -81.1 -37.5 -23.9 68.7 22.3 479 49 B Y H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.855 108.2 56.8 -69.2 -34.3 -23.4 66.7 19.2 480 50 B R H X S+ 0 0 66 -4,-2.5 4,-2.8 2,-0.2 3,-0.5 0.942 109.5 46.0 -57.3 -48.8 -20.0 68.5 18.9 481 51 B E H X S+ 0 0 41 -4,-1.8 4,-3.9 1,-0.2 -2,-0.2 0.882 104.4 60.9 -55.7 -45.8 -19.3 67.1 22.4 482 52 B A H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 6,-0.4 0.856 111.5 39.7 -49.8 -39.5 -20.5 63.7 21.4 483 53 B V H ><5S+ 0 0 5 -4,-1.5 3,-3.0 -3,-0.5 -2,-0.2 0.945 112.5 54.4 -75.8 -55.2 -17.7 63.7 18.8 484 54 B R H 3<5S+ 0 0 158 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.849 109.9 49.4 -42.9 -37.9 -15.3 65.3 21.2 485 55 B H T 3<5S- 0 0 55 -4,-3.9 -1,-0.3 -5,-0.2 -2,-0.2 0.454 119.6-115.1 -83.0 2.4 -16.2 62.3 23.6 486 56 B G T <>5S+ 0 0 26 -3,-3.0 4,-1.3 -5,-0.2 -3,-0.2 0.619 76.2 130.0 82.1 15.6 -15.6 59.8 20.7 487 57 B L T 44 S+ 0 0 0 -6,-0.4 3,-1.5 2,-0.2 -1,-0.2 0.845 109.5 52.3 -70.4 -43.5 -19.5 59.1 16.6 489 59 B K G >4 S+ 0 0 69 1,-0.3 3,-1.7 -6,-0.2 10,-1.6 0.854 101.0 63.9 -58.3 -37.6 -16.2 57.2 16.0 490 60 B A G 3< S+ 0 0 14 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.552 88.7 69.9 -69.1 -4.9 -17.7 54.4 18.1 491 61 B Q G < S+ 0 0 1 -3,-1.5 -1,-0.3 59,-0.1 -2,-0.2 0.526 91.0 70.7 -79.7 -7.4 -20.4 54.0 15.4 492 62 B V S < S- 0 0 0 -3,-1.7 8,-2.2 -4,-0.2 5,-0.1 -0.900 90.5-110.3-119.6 133.3 -17.9 52.5 13.0 493 63 B P B > > -n 500 0H 33 0, 0.0 5,-2.4 0, 0.0 3,-1.2 -0.188 26.3-116.0 -63.4 154.1 -16.3 49.0 13.4 494 64 B I G > 5S+ 0 0 100 6,-0.9 3,-2.2 1,-0.2 7,-0.1 0.897 112.5 61.3 -59.4 -42.8 -12.6 48.8 14.3 495 65 B P G 3 5S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.679 109.1 45.6 -50.2 -19.9 -11.6 47.0 10.9 496 66 B L G < 5S- 0 0 43 -3,-1.2 -2,-0.2 2,-0.1 55,-0.1 0.126 132.1 -87.3-115.8 13.2 -12.8 50.2 9.2 497 67 B G T < 5S+ 0 0 34 -3,-2.2 -3,-0.2 1,-0.3 -5,-0.1 0.235 90.6 108.5 104.1 -15.8 -11.2 52.8 11.4 498 68 B G S - 0 0 19 1,-0.1 4,-1.6 -9,-0.0 -1,-0.3 -0.976 51.3 -98.3-168.4 172.7 -19.6 45.3 19.8 503 73 B L H > S+ 0 0 18 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.799 121.1 57.2 -69.5 -28.6 -23.3 45.7 19.4 504 74 B V H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 106.8 49.2 -63.7 -41.4 -23.8 44.8 23.1 505 75 B H H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.917 112.8 48.1 -61.1 -41.6 -21.5 47.8 23.9 506 76 B E H X S+ 0 0 3 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.870 109.7 51.9 -67.6 -38.3 -23.6 49.8 21.6 507 77 B S H X S+ 0 0 1 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.763 110.4 48.9 -63.1 -33.9 -26.9 48.6 23.2 508 78 B I H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.835 111.8 48.5 -78.5 -40.4 -25.6 49.5 26.7 509 79 B I H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.894 111.9 48.0 -63.3 -50.6 -24.5 53.0 25.6 510 80 B L H X S+ 0 0 1 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.945 108.6 54.2 -62.5 -42.4 -27.8 53.8 23.8 511 81 B E H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.914 112.1 44.4 -55.6 -44.3 -29.8 52.6 26.8 512 82 B E H < S+ 0 0 5 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.825 115.3 48.5 -67.4 -36.5 -27.9 55.0 29.1 513 83 B L H >X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 3,-1.9 0.974 114.1 43.6 -67.4 -57.3 -28.1 57.9 26.7 514 84 B F H 3< S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.833 103.2 68.5 -58.5 -30.2 -31.8 57.5 26.1 515 85 B A T 3< S+ 0 0 16 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.647 116.6 23.3 -59.6 -19.0 -32.4 57.1 29.8 516 86 B V T <4 S- 0 0 42 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.733 135.5 -8.3-117.5 -49.6 -31.4 60.7 30.3 517 87 B E < - 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0 0 19 -4,-0.5 5,-1.8 1,-0.1 4,-1.6 -0.095 19.7-130.1 -61.3 154.5 -64.6 31.9 14.8 1266 405 C N T 4>S+ 0 0 2 -6,-2.3 5,-1.4 3,-0.2 6,-0.1 0.791 100.7 53.4 -73.6 -31.5 -63.5 35.4 15.5 1267 406 C I T 45S+ 0 0 17 -7,-0.3 -1,-0.1 400,-0.2 340,-0.1 0.987 125.2 16.5 -73.9 -55.0 -60.2 35.2 13.7 1268 407 C G T 45S+ 0 0 31 3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.748 135.4 24.2 -91.9 -29.5 -61.2 34.0 10.3 1269 408 C L T >X5S+ 0 0 32 -4,-1.6 4,-2.4 3,-0.1 3,-0.7 0.857 120.6 38.2 -98.8 -68.4 -65.0 34.6 10.1 1270 409 C R H 3> S+ 0 0 41 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.870 110.4 48.6 -76.2 -43.9 -63.6 39.4 8.2 1273 412 C Q H X S+ 0 0 44 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.900 116.0 45.2 -60.0 -41.7 -67.3 39.9 8.0 1274 413 C M H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 -2,-0.2 0.931 112.9 49.3 -73.1 -41.8 -66.9 43.0 10.2 1275 414 C Q H X S+ 0 0 14 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.880 107.8 54.0 -59.8 -45.7 -63.9 44.3 8.2 1276 415 C R H X S+ 0 0 57 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.894 110.7 47.8 -56.4 -44.6 -65.7 43.9 4.8 1277 416 C V H >< S+ 0 0 9 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.963 109.6 52.0 -58.4 -55.4 -68.6 46.0 6.2 1278 417 C M H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.733 106.4 55.8 -59.3 -24.8 -66.2 48.7 7.5 1279 418 C A H 3< S+ 0 0 22 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.618 79.0 107.6 -80.6 -21.3 -64.5 48.9 4.1 1280 419 C L S X< S- 0 0 74 -3,-1.5 3,-1.0 -4,-0.7 -3,-0.0 -0.305 76.1-128.0 -54.5 142.8 -67.7 49.7 2.1 1281 420 C E T 3 S+ 0 0 205 1,-0.2 -1,-0.1 -982,-0.0 -3,-0.0 0.807 107.6 53.3 -64.9 -28.8 -67.7 53.4 0.9 1282 421 C D T 3 S+ 0 0 95 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 -0.070 77.8 136.0-100.5 35.2 -71.2 53.8 2.5 1283 422 C Y < - 0 0 21 -3,-1.0 -5,-0.0 -5,-0.2 -72,-0.0 -0.667 35.8-164.5 -83.6 131.2 -70.4 52.6 6.0 1284 423 C E > - 0 0 79 -2,-0.4 3,-1.4 1,-0.2 4,-0.2 -0.924 3.7-162.7-117.0 104.6 -71.8 54.5 8.9 1285 424 C P T 3 S+ 0 0 23 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.871 87.7 36.3 -54.5 -42.6 -70.0 53.5 12.1 1286 425 C W T >> S+ 0 0 18 1,-0.2 4,-2.6 2,-0.1 3,-1.3 0.164 79.4 115.3-101.5 18.0 -72.7 55.0 14.5 1287 426 C A H <> S+ 0 0 2 -3,-1.4 4,-0.9 1,-0.3 -1,-0.2 0.784 73.0 54.5 -58.9 -39.7 -75.8 54.2 12.6 1288 427 C A H 34 S+ 0 0 19 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.669 120.2 35.1 -70.4 -15.7 -77.3 51.7 15.1 1289 428 C T H <4 S+ 0 0 9 -3,-1.3 -2,-0.2 2,-0.1 -1284,-0.2 0.811 134.8 17.8-100.3 -49.1 -76.9 54.5 17.8 1290 429 C Y H < S- 0 0 13 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 -0.074 96.7-135.3-116.1 26.8 -77.6 57.8 16.1 1291 430 C G < 0 0 39 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 0.233 360.0 360.0 39.6-173.9 -79.4 56.6 12.9 1292 431 C S 0 0 119 -5,-0.1 -1,-0.1 -4,-0.1 -4,-0.1 0.473 360.0 360.0-104.7 360.0 -78.6 58.0 9.5 1293 !* 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 1294 2 D V 0 0 31 0, 0.0 2,-0.4 0, 0.0 -860,-0.2 0.000 360.0 360.0 360.0 134.6 -22.2 38.2 27.3 1295 3 D D B -M 433 0G 65 -862,-2.7 -862,-2.8 1,-0.1 -860,-0.1 -0.985 360.0-179.5-145.0 135.9 -22.6 35.0 25.5 1296 4 D F + 0 0 7 -2,-0.4 2,-0.2 -864,-0.2 -1,-0.1 0.297 46.0 121.8-119.9 2.1 -25.6 32.8 24.5 1297 5 D K - 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