==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-SEP-09 3K20 . COMPND 2 MOLECULE: OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR A.KUZIN,S.LEW,S.SAHDEV,R.XIAO,C.CICCOSANTI,H.WANG, . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 0.6 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 . 15 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 1 0 0 1 2 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 1 1 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 . 1 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 1 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 0 A H 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.5 54.0 23.3 40.5 2 1 A X - 0 0 113 38,-0.0 38,-0.2 2,-0.0 2,-0.0 0.850 360.0-106.8 63.7 108.1 50.5 21.9 40.2 3 2 A R E -a 40 0A 35 36,-1.5 38,-3.2 1,-0.1 2,-0.4 -0.352 32.7-138.0 -64.5 143.6 48.3 24.1 37.9 4 3 A T E -a 41 0A 50 36,-0.2 74,-2.0 72,-0.1 75,-1.6 -0.896 15.8-169.7-111.1 133.7 45.7 26.2 39.7 5 4 A L E -ab 42 79A 1 36,-2.9 38,-2.3 -2,-0.4 2,-0.3 -0.965 7.0-157.6-125.0 117.1 42.1 26.8 38.6 6 5 A A E -ab 43 80A 5 73,-2.5 75,-1.9 -2,-0.5 2,-0.4 -0.693 8.9-165.2 -90.6 144.7 39.8 29.3 40.2 7 6 A V E -ab 44 81A 0 36,-2.2 38,-3.2 -2,-0.3 2,-0.6 -0.981 6.6-163.6-134.9 123.2 36.0 28.9 39.8 8 7 A I E -ab 45 82A 2 73,-2.8 75,-2.6 -2,-0.4 2,-0.4 -0.917 10.7-177.6-108.9 115.0 33.4 31.6 40.6 9 8 A S E -ab 46 83A 0 36,-2.8 38,-3.0 -2,-0.6 39,-0.3 -0.911 11.1-174.8-111.5 139.5 29.9 30.3 41.0 10 9 A A + 0 0 1 73,-1.1 85,-0.1 -2,-0.4 84,-0.1 0.116 33.7 133.7-121.7 23.0 27.0 32.7 41.6 11 10 A G - 0 0 3 1,-0.1 37,-0.4 73,-0.1 5,-0.1 -0.326 35.0-166.4 -71.5 157.2 24.0 30.5 42.2 12 11 A L + 0 0 92 3,-0.1 -1,-0.1 35,-0.1 4,-0.1 0.666 60.5 78.5-115.1 -27.5 21.7 31.2 45.1 13 12 A S S S- 0 0 92 2,-0.1 5,-0.0 1,-0.0 -2,-0.0 -0.272 81.0-107.0 -79.9 168.3 19.6 28.0 45.4 14 13 A T S S+ 0 0 135 1,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.940 112.9 36.5-142.1 114.9 20.7 24.8 47.0 15 14 A P S S- 0 0 105 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.545 99.5-149.6 -64.3 157.9 21.2 22.6 45.1 16 15 A S > - 0 0 12 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 -0.908 17.6-162.9-107.1 116.7 22.7 25.1 42.7 17 16 A S H > S+ 0 0 49 -2,-0.6 4,-2.4 1,-0.2 5,-0.3 0.900 97.1 56.8 -59.8 -38.6 22.4 24.4 39.0 18 17 A T H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 108.9 43.3 -58.1 -47.4 25.1 27.0 38.6 19 18 A R H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.844 108.8 61.9 -68.8 -31.7 27.4 25.1 40.9 20 19 A Q H X S+ 0 0 95 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.973 112.6 33.0 -58.5 -56.0 26.4 21.9 39.2 21 20 A I H X S+ 0 0 8 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.850 113.0 60.8 -71.1 -32.3 27.7 22.9 35.8 22 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.903 110.9 43.4 -58.4 -36.9 30.6 24.9 37.3 23 22 A D H X S+ 0 0 42 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.912 109.4 55.2 -72.8 -44.6 31.6 21.5 38.7 24 23 A S H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.930 113.7 43.4 -52.5 -47.1 30.9 19.6 35.5 25 24 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.931 114.1 47.3 -66.1 -49.5 33.3 22.1 33.8 26 25 A S H X S+ 0 0 4 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.873 111.4 52.0 -63.6 -35.6 36.0 22.1 36.4 27 26 A E H X S+ 0 0 126 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.952 111.3 48.2 -62.8 -46.9 35.9 18.3 36.6 28 27 A A H X S+ 0 0 23 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.856 109.6 52.3 -60.5 -38.3 36.4 18.2 32.8 29 28 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.878 108.7 50.4 -68.0 -35.5 39.2 20.7 33.0 30 29 A T H X S+ 0 0 44 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 109.6 51.3 -66.6 -41.5 41.0 18.6 35.6 31 30 A A H X S+ 0 0 63 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.882 112.3 46.5 -61.3 -40.0 40.6 15.5 33.3 32 31 A A H X S+ 0 0 17 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.848 111.6 48.7 -73.4 -37.3 42.1 17.5 30.4 33 32 A V H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 -1,-0.2 0.816 110.4 53.9 -72.1 -28.2 45.0 18.9 32.3 34 33 A S H ><5S+ 0 0 72 -4,-1.9 3,-2.3 3,-0.2 -2,-0.2 0.933 105.0 53.1 -68.1 -45.6 45.7 15.3 33.6 35 34 A A H 3<5S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.3 56.1 -60.2 -28.2 45.7 14.1 30.0 36 35 A R T 3<5S- 0 0 113 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.264 129.7-100.9 -88.7 14.5 48.3 16.7 29.3 37 36 A G T < 5S+ 0 0 67 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.517 84.4 101.9 84.6 9.3 50.3 15.2 32.1 38 37 A E < - 0 0 63 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.2 -0.749 65.6-112.6-125.6 171.6 49.7 17.5 35.0 39 38 A A - 0 0 54 -2,-0.2 -36,-1.5 -5,-0.0 2,-0.5 -0.816 24.8-152.3-102.0 139.8 47.7 17.9 38.2 40 39 A L E -a 3 0A 18 -2,-0.4 2,-0.7 -38,-0.2 -36,-0.2 -0.948 2.7-158.7-119.7 122.3 45.0 20.6 38.6 41 40 A S E -a 4 0A 46 -38,-3.2 -36,-2.9 -2,-0.5 2,-0.6 -0.871 14.2-159.4 -98.0 114.6 44.0 22.1 41.9 42 41 A V E -a 5 0A 56 -2,-0.7 2,-0.7 -38,-0.2 -36,-0.2 -0.854 9.2-171.7-104.3 118.0 40.5 23.6 41.7 43 42 A S E -a 6 0A 66 -38,-2.3 -36,-2.2 -2,-0.6 2,-0.4 -0.903 11.3-163.1-106.6 109.1 39.4 26.3 44.2 44 43 A T E -a 7 0A 38 -2,-0.7 2,-0.5 -38,-0.2 -36,-0.2 -0.760 5.0-162.0 -98.6 139.2 35.7 27.1 43.9 45 44 A I E -a 8 0A 26 -38,-3.2 -36,-2.8 -2,-0.4 2,-0.7 -0.973 8.4-152.2-120.4 124.4 34.1 30.2 45.4 46 45 A E E > -a 9 0A 31 -2,-0.5 3,-1.8 -38,-0.2 -36,-0.2 -0.869 8.4-153.8 -94.1 115.6 30.4 30.5 46.0 47 46 A L G > S+ 0 0 0 -38,-3.0 3,-2.4 -2,-0.7 4,-0.3 0.795 89.6 69.5 -60.0 -31.2 29.5 34.2 45.7 48 47 A S G 3 S+ 0 0 43 -37,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.663 97.5 54.7 -62.9 -13.2 26.4 33.8 48.0 49 48 A E G < S+ 0 0 129 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.319 103.8 53.8-101.6 6.3 28.9 33.2 50.8 50 49 A L S <> S+ 0 0 3 -3,-2.4 4,-2.2 2,-0.1 5,-0.2 0.216 74.4 112.2-118.5 8.8 30.8 36.5 50.1 51 50 A I H > S+ 0 0 81 -3,-0.3 4,-3.2 -4,-0.3 3,-0.4 0.934 75.7 47.6 -51.0 -57.9 27.7 38.7 50.3 52 51 A P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.892 113.2 50.3 -55.0 -36.0 28.6 40.5 53.5 53 52 A D H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 11,-0.3 0.861 114.3 43.5 -68.7 -35.2 32.1 41.2 52.2 54 53 A L H X S+ 0 0 1 -4,-2.2 4,-0.9 -3,-0.4 -1,-0.2 0.865 111.9 53.0 -75.6 -39.1 30.7 42.5 48.9 55 54 A X H X S+ 0 0 100 -4,-3.2 4,-0.9 -5,-0.2 3,-0.3 0.875 111.7 48.2 -62.4 -36.9 28.0 44.5 50.7 56 55 A T H >< S+ 0 0 44 -4,-2.0 3,-0.6 -5,-0.3 4,-0.3 0.898 105.4 56.4 -70.6 -41.3 30.9 46.0 52.8 57 56 A A H 3< S+ 0 0 12 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.676 103.1 57.7 -65.6 -16.5 33.0 46.7 49.7 58 57 A X H 3< S+ 0 0 114 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.831 115.6 33.0 -82.0 -33.0 30.1 48.8 48.4 59 58 A T S << S+ 0 0 100 -4,-0.9 2,-0.2 -3,-0.6 -2,-0.2 0.142 125.4 42.0-108.3 17.8 30.0 51.1 51.4 60 59 A T - 0 0 69 -4,-0.3 -1,-0.2 -3,-0.1 0, 0.0 -0.787 68.1-144.2-164.9 115.3 33.8 51.1 52.2 61 60 A R S S+ 0 0 222 -2,-0.2 2,-0.4 -3,-0.1 -4,-0.1 0.728 83.1 87.8 -55.3 -21.2 36.5 51.3 49.6 62 61 A V S S- 0 0 78 -6,-0.1 2,-0.2 -3,-0.0 -3,-0.1 -0.666 74.8-138.8 -86.6 132.8 38.5 48.9 51.8 63 62 A H - 0 0 53 -2,-0.4 -9,-0.1 1,-0.1 -2,-0.1 -0.594 21.7-108.6 -88.6 148.4 38.0 45.2 51.3 64 63 A T > - 0 0 39 -11,-0.3 4,-2.3 -2,-0.2 5,-0.1 -0.151 31.4-109.6 -65.5 170.3 37.8 42.7 54.1 65 64 A T H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 119.7 54.9 -69.4 -40.5 40.7 40.3 54.7 66 65 A K H > S+ 0 0 109 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.900 113.0 42.7 -58.7 -41.1 38.6 37.4 53.5 67 66 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.886 109.3 56.5 -73.4 -40.7 37.9 39.2 50.2 68 67 A E H X S+ 0 0 91 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.866 110.2 46.2 -59.7 -36.5 41.5 40.5 49.8 69 68 A E H X S+ 0 0 127 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.846 110.9 52.5 -75.0 -36.2 42.8 36.9 49.9 70 69 A I H X S+ 0 0 33 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.915 112.0 43.2 -67.4 -44.7 40.2 35.6 47.5 71 70 A T H X S+ 0 0 18 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.876 114.0 52.4 -70.3 -35.4 40.8 38.2 44.8 72 71 A S H X S+ 0 0 56 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.911 110.2 47.2 -64.7 -43.0 44.6 37.8 45.3 73 72 A A H X S+ 0 0 56 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.929 111.4 54.1 -62.2 -45.0 44.3 34.0 44.9 74 73 A L H >< S+ 0 0 6 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.956 107.5 47.2 -52.6 -59.9 42.2 34.6 41.8 75 74 A S H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.794 111.5 53.9 -55.2 -29.6 44.7 36.9 40.0 76 75 A A H 3< S+ 0 0 74 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.647 87.9 108.3 -81.0 -16.1 47.4 34.3 40.8 77 76 A S << - 0 0 18 -3,-1.7 -72,-0.2 -4,-0.9 3,-0.1 -0.072 66.0-140.3 -61.0 161.9 45.5 31.4 39.2 78 77 A D S S+ 0 0 31 -74,-2.0 2,-0.3 1,-0.2 -73,-0.2 0.744 83.9 14.6 -91.3 -32.8 46.5 29.8 36.0 79 78 A G E -b 5 0A 0 -75,-1.6 -73,-2.5 31,-0.1 2,-0.4 -0.949 66.0-149.9-142.1 163.2 42.9 29.4 34.7 80 79 A L E -bc 6 112A 0 31,-1.8 33,-2.2 -2,-0.3 2,-0.4 -0.996 7.6-171.9-141.7 141.7 39.4 30.6 35.4 81 80 A V E -bc 7 113A 0 -75,-1.9 -73,-2.8 -2,-0.4 2,-0.4 -0.999 10.8-171.0-128.6 129.6 35.8 29.4 35.2 82 81 A V E -bc 8 114A 0 31,-2.2 33,-2.5 -2,-0.4 2,-0.4 -0.988 5.1-179.0-125.7 133.3 32.9 31.7 35.8 83 82 A A E +bc 9 115A 0 -75,-2.6 -73,-1.1 -2,-0.4 33,-0.2 -0.986 2.5 173.9-132.9 142.0 29.3 30.6 36.0 84 83 A T E - c 0 116A 1 31,-1.0 33,-1.9 -2,-0.4 2,-0.1 -0.995 29.5-121.0-149.4 152.8 26.0 32.4 36.6 85 84 A P E - c 0 117A 14 0, 0.0 2,-0.8 0, 0.0 7,-0.4 -0.430 40.3-110.3 -80.5 163.0 22.2 31.9 36.7 86 85 A V + 0 0 27 31,-1.0 2,-0.4 5,-0.1 3,-0.3 -0.867 40.4 175.6-104.6 109.7 20.2 34.0 34.3 87 86 A F B > S-F 90 0B 95 3,-2.1 3,-0.9 -2,-0.8 31,-0.0 -0.932 71.2 -6.2-110.9 133.9 18.2 36.8 36.0 88 87 A K T 3 S- 0 0 210 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.904 131.5 -55.4 47.9 48.2 16.2 39.3 34.0 89 88 A A T 3 S+ 0 0 56 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.770 125.2 51.2 59.0 32.7 17.7 37.9 30.7 90 89 A S B < S-F 87 0B 38 -3,-0.9 -3,-2.1 40,-0.0 -1,-0.2 -0.951 95.9 -43.4-170.5-171.8 21.3 38.4 31.8 91 90 A Y - 0 0 55 -2,-0.3 -5,-0.1 -5,-0.2 2,-0.1 -0.227 67.6 -88.1 -70.6 163.7 23.9 37.7 34.4 92 91 A T > - 0 0 6 -7,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.406 21.9-130.4 -73.2 142.6 23.3 38.2 38.1 93 92 A G H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 112.8 52.2 -56.8 -40.9 23.8 41.5 39.9 94 93 A L H > S+ 0 0 28 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 108.1 52.2 -62.5 -39.3 25.8 39.7 42.6 95 94 A F H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.974 112.4 43.6 -59.5 -56.9 27.9 38.1 39.8 96 95 A K H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.906 108.7 59.2 -55.3 -46.3 28.7 41.6 38.2 97 96 A X H X S+ 0 0 52 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.859 100.4 55.7 -53.0 -41.1 29.3 43.1 41.6 98 97 A F H < S+ 0 0 0 -4,-1.7 4,-0.3 -3,-0.5 -1,-0.3 0.932 111.6 43.5 -59.1 -45.3 32.1 40.6 42.3 99 98 A F H >< S+ 0 0 6 -4,-1.4 3,-1.2 -3,-0.3 -2,-0.2 0.834 107.3 59.6 -69.9 -32.1 33.8 41.8 39.1 100 99 A D H 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.915 101.7 56.5 -60.6 -39.8 33.1 45.4 39.9 101 100 A I T 3< S+ 0 0 19 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.584 89.9 98.3 -67.0 -14.4 35.1 45.0 43.0 102 101 A L S < S- 0 0 19 -3,-1.2 2,-0.0 -4,-0.3 5,-0.0 -0.444 82.3-104.0 -80.2 151.3 38.2 43.7 41.2 103 102 A D > - 0 0 107 -2,-0.1 3,-2.2 1,-0.1 4,-0.3 -0.378 37.2-108.2 -68.1 151.6 41.2 45.9 40.3 104 103 A T T 3 S+ 0 0 122 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.862 119.0 39.6 -49.1 -43.4 41.4 46.9 36.6 105 104 A D T > S+ 0 0 112 1,-0.2 3,-0.8 2,-0.1 -1,-0.3 0.243 82.0 113.3 -94.9 16.0 44.3 44.5 35.9 106 105 A A T < S+ 0 0 9 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.776 89.0 23.9 -58.1 -31.4 43.0 41.6 38.0 107 106 A L T > S+ 0 0 1 -3,-0.4 3,-2.7 -4,-0.3 -1,-0.2 0.255 78.6 150.4-121.9 13.8 42.4 39.3 35.1 108 107 A T T < S- 0 0 57 -3,-0.8 32,-0.2 1,-0.3 31,-0.2 -0.226 82.7 -0.8 -49.9 124.9 44.7 40.5 32.4 109 108 A G T 3 S+ 0 0 40 30,-2.9 -1,-0.3 1,-0.2 31,-0.2 0.352 92.1 155.9 76.6 -6.8 45.6 37.5 30.2 110 109 A X < - 0 0 9 -3,-2.7 31,-1.4 28,-0.3 -1,-0.2 -0.330 44.6-128.4 -59.9 118.7 43.6 35.2 32.4 111 110 A P E - d 0 141A 4 0, 0.0 -31,-1.8 0, 0.0 2,-0.3 -0.507 42.0-179.0 -66.0 132.3 42.5 32.0 30.5 112 111 A T E -cd 80 142A 0 29,-2.5 31,-2.5 -2,-0.2 2,-0.5 -0.990 35.2-157.3-146.5 145.8 38.8 31.7 31.0 113 112 A I E -c 81 0A 0 -33,-2.2 -31,-2.2 -2,-0.3 2,-0.4 -0.975 22.4-150.4-114.8 125.7 35.7 29.6 30.3 114 113 A I E +c 82 0A 0 -2,-0.5 33,-2.6 29,-0.3 2,-0.3 -0.843 21.6 175.5 -99.1 135.1 32.4 31.6 30.6 115 114 A A E +ce 83 147A 0 -33,-2.5 -31,-1.0 -2,-0.4 2,-0.3 -0.961 11.3 175.0-138.6 155.2 29.3 29.6 31.6 116 115 A A E -ce 84 148A 0 31,-2.1 33,-2.5 -2,-0.3 2,-0.3 -0.986 12.0-151.0-156.1 153.4 25.7 30.2 32.4 117 116 A T E +ce 85 149A 8 -33,-1.9 -31,-1.0 -2,-0.3 2,-0.3 -0.944 22.5 143.9-132.8 153.1 22.5 28.1 33.3 118 117 A A E - e 0 150A 23 31,-2.2 33,-2.4 -2,-0.3 34,-0.3 -0.959 56.0 -93.8-170.2 170.4 18.7 28.4 32.9 119 118 A G S S+ 0 0 30 -2,-0.3 33,-2.1 31,-0.2 34,-0.5 0.997 105.6 19.5 -60.0 -69.8 15.7 26.3 32.1 120 119 A S S S- 0 0 32 31,-0.1 3,-0.3 30,-0.1 31,-0.2 -0.250 77.6-119.0 -92.4-177.5 15.6 26.8 28.4 121 120 A A S > S+ 0 0 41 1,-0.2 3,-1.9 29,-0.1 4,-0.2 0.302 81.8 104.8-106.2 9.0 18.2 28.0 25.9 122 121 A R T 3 S+ 0 0 191 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.702 86.0 45.1 -64.2 -17.7 16.5 31.1 24.7 123 122 A H T > S+ 0 0 54 -3,-0.3 3,-1.5 1,-0.1 -1,-0.3 0.063 76.2 112.8-111.8 23.1 18.8 33.3 26.7 124 123 A S T X + 0 0 46 -3,-1.9 3,-1.9 1,-0.3 4,-0.3 0.774 62.6 73.3 -67.2 -24.1 22.0 31.5 25.8 125 124 A L T 3> S+ 0 0 104 1,-0.3 4,-2.2 -3,-0.2 3,-0.5 0.538 71.6 88.3 -67.5 -4.1 23.3 34.6 23.8 126 125 A V H <>>S+ 0 0 11 -3,-1.5 5,-1.7 1,-0.2 4,-1.2 0.802 78.6 65.5 -62.7 -26.0 23.9 36.1 27.2 127 126 A L H <4>S+ 0 0 14 -3,-1.9 5,-2.0 3,-0.2 -1,-0.2 0.902 112.1 28.9 -62.7 -44.3 27.3 34.4 26.9 128 127 A D H 45S+ 0 0 79 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.2 0.713 126.6 43.5 -91.1 -22.3 28.5 36.5 24.0 129 128 A Y H <5S+ 0 0 179 -4,-2.2 -2,-0.2 3,-0.1 -3,-0.2 0.411 131.1 14.3-103.4 1.2 26.5 39.7 24.8 130 129 A A T X5S+ 0 0 11 -4,-1.2 4,-1.4 -5,-0.2 -3,-0.2 0.521 129.7 32.8-135.6 -64.2 27.1 39.9 28.5 131 130 A L H > S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 114.0 52.2 -59.2 -35.6 32.2 41.6 26.7 134 133 A L H X S+ 0 0 17 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.957 113.3 38.4 -64.7 -56.2 32.8 41.7 30.5 135 134 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 -1,-0.2 0.806 117.4 54.4 -66.0 -28.6 35.8 39.3 30.7 136 135 A S H ><5S+ 0 0 61 -4,-2.3 3,-2.6 -5,-0.3 -2,-0.2 0.910 100.8 56.9 -71.0 -42.1 37.1 40.8 27.4 137 136 A Y H 3<5S+ 0 0 187 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.6 52.2 -57.1 -30.6 36.9 44.3 28.9 138 137 A X T 3<5S- 0 0 17 -4,-1.2 -1,-0.3 -5,-0.1 -28,-0.3 0.165 117.2-117.4 -91.4 18.7 39.2 42.9 31.6 139 138 A R T < 5 + 0 0 181 -3,-2.6 -30,-2.9 1,-0.2 -3,-0.2 0.728 63.4 149.4 54.2 25.1 41.6 41.6 28.9 140 139 A A < - 0 0 9 -5,-2.7 2,-1.0 -32,-0.2 -1,-0.2 -0.578 52.9-119.1 -82.1 152.5 41.0 38.0 30.0 141 140 A V E -d 111 0A 64 -31,-1.4 -29,-2.5 -34,-0.2 2,-0.6 -0.813 29.7-161.4 -97.1 103.0 41.3 35.5 27.2 142 141 A V E -d 112 0A 16 -2,-1.0 -29,-0.2 -31,-0.2 4,-0.1 -0.742 19.7-122.6 -84.9 119.0 37.9 33.8 27.0 143 142 A V - 0 0 5 -31,-2.5 -29,-0.3 -2,-0.6 26,-0.1 -0.218 22.0-114.9 -60.0 149.8 38.0 30.4 25.1 144 143 A P S S+ 0 0 98 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.868 98.4 76.6 -54.3 -44.1 35.7 30.1 22.1 145 144 A T - 0 0 1 23,-0.1 2,-0.3 24,-0.1 -31,-0.2 -0.600 66.0-173.3 -77.5 102.7 33.5 27.4 23.5 146 145 A G - 0 0 4 -2,-1.1 2,-0.6 -33,-0.1 -31,-0.2 -0.665 19.6-130.2 -88.7 152.5 31.2 29.1 26.0 147 146 A V E +e 115 0A 0 -33,-2.6 -31,-2.1 -2,-0.3 2,-0.6 -0.912 25.7 177.6-113.8 118.0 29.1 26.8 28.0 148 147 A F E -e 116 0A 22 -2,-0.6 2,-0.7 -33,-0.2 -31,-0.2 -0.907 14.3-156.8-119.5 106.0 25.3 27.3 28.4 149 148 A A E -e 117 0A 0 -33,-2.5 -31,-2.2 -2,-0.6 2,-0.9 -0.691 5.3-169.0 -84.4 110.0 23.4 24.7 30.4 150 149 A A E > -e 118 0A 7 -2,-0.7 3,-2.5 -33,-0.2 -31,-0.2 -0.862 10.1-157.1 -98.7 101.9 19.7 24.6 29.6 151 150 A T G > S+ 0 0 58 -33,-2.4 3,-1.5 -2,-0.9 -32,-0.2 0.852 90.7 57.7 -45.2 -46.1 18.4 22.4 32.3 152 151 A E G 3 S+ 0 0 143 -33,-2.1 -1,-0.3 -34,-0.3 -32,-0.1 0.692 103.0 57.5 -60.8 -19.9 15.3 21.4 30.2 153 152 A D G < S+ 0 0 52 -3,-2.5 -1,-0.3 -34,-0.5 -2,-0.2 0.121 75.8 121.9-102.6 22.8 17.7 20.0 27.6 154 153 A F < + 0 0 103 -3,-1.5 4,-0.1 4,-0.1 6,-0.1 -0.523 57.0 27.7 -83.1 153.5 19.7 17.5 29.5 155 154 A G S > S+ 0 0 52 1,-0.2 4,-1.9 -2,-0.2 3,-0.3 0.131 89.7 49.4 82.6 158.5 19.8 13.8 28.5 156 155 A G H > S- 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.3 -0.191 116.6 -32.9 71.3-167.2 19.4 12.2 25.1 157 156 A P H > S+ 0 0 117 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.918 142.6 50.9 -52.0 -46.7 21.3 13.3 21.9 158 157 A E H > S+ 0 0 115 -3,-0.3 4,-2.3 1,-0.2 3,-0.4 0.966 110.4 47.1 -55.7 -58.1 21.3 16.9 23.2 159 158 A G H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.3 -1,-0.2 0.864 114.3 47.6 -52.6 -41.5 22.7 16.1 26.6 160 159 A A H X S+ 0 0 51 -4,-2.4 4,-1.1 2,-0.2 -1,-0.3 0.797 111.7 49.8 -71.3 -30.7 25.4 13.9 25.1 161 160 A E H X S+ 0 0 116 -4,-2.1 4,-1.4 -3,-0.4 -2,-0.2 0.806 110.2 53.3 -75.8 -29.6 26.3 16.6 22.6 162 161 A F H X S+ 0 0 30 -4,-2.3 4,-2.3 2,-0.2 3,-0.2 0.939 106.5 48.7 -70.1 -48.7 26.4 19.0 25.5 163 162 A N H X S+ 0 0 100 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.846 108.7 56.5 -60.0 -30.4 28.8 17.0 27.5 164 163 A K H X S+ 0 0 131 -4,-1.1 4,-1.7 1,-0.2 -1,-0.3 0.895 107.6 48.9 -65.6 -39.3 30.9 16.8 24.3 165 164 A R H X S+ 0 0 81 -4,-1.4 4,-2.9 -3,-0.2 5,-0.2 0.887 106.4 53.7 -66.7 -44.2 30.9 20.6 24.3 166 165 A I H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.887 109.3 50.3 -59.3 -39.2 32.0 20.9 28.0 167 166 A A H X S+ 0 0 57 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.913 109.7 50.8 -65.6 -40.8 34.9 18.6 27.1 168 167 A R H X S+ 0 0 138 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.933 112.2 45.5 -61.9 -47.0 35.7 20.8 24.1 169 168 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.905 111.8 54.2 -62.2 -40.9 35.6 24.0 26.3 170 169 A A H X S+ 0 0 2 -4,-2.6 4,-3.3 -5,-0.2 -2,-0.2 0.908 107.2 50.2 -59.9 -43.0 37.7 22.1 28.9 171 170 A G H X S+ 0 0 16 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.924 107.2 53.1 -62.4 -45.0 40.4 21.2 26.3 172 171 A E H X S+ 0 0 45 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.945 115.7 40.8 -55.4 -48.8 40.7 24.8 25.1 173 172 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.940 112.6 53.7 -65.1 -49.4 41.3 26.0 28.6 174 173 A A H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.886 107.4 52.7 -53.5 -42.0 43.5 23.1 29.6 175 174 A S H < S+ 0 0 42 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.898 111.4 45.4 -61.4 -42.6 45.7 23.8 26.6 176 175 A L H X S+ 0 0 42 -4,-1.6 4,-1.0 -5,-0.2 3,-0.3 0.861 112.2 53.7 -68.7 -36.3 46.1 27.4 27.7 177 176 A I H >< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.922 109.4 43.5 -67.1 -46.3 46.7 26.4 31.3 178 177 A V T 3< S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.560 106.0 67.4 -77.0 -6.0 49.6 24.0 30.6 179 178 A E T 34 S+ 0 0 144 -4,-0.5 -1,-0.2 -3,-0.3 2,-0.2 0.820 79.1 90.6 -80.8 -34.6 51.0 26.5 28.2 180 179 A E << 0 0 61 -4,-1.0 -102,-0.0 -3,-0.5 -4,-0.0 -0.452 360.0 360.0 -66.6 130.0 51.9 29.1 30.9 181 180 A S 0 0 169 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.863 360.0 360.0-102.2 360.0 55.4 28.6 32.3