==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-APR-99 6ATJ . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR A.HENRIKSEN,A.T.SMITH,M.GAJHEDE . 306 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 65.0 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 1 0 3 1 1 1 1 0 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 3 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 0 0 ANTIPARALLEL 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 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 1 A Q 0 0 222 0, 0.0 2,-0.1 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 136.6 26.9 15.7 17.0 2 2 A L - 0 0 24 118,-0.1 120,-0.2 284,-0.0 289,-0.0 -0.468 360.0-169.7 -73.4 150.4 23.3 15.8 18.3 3 3 A T B > -A 121 0A 51 118,-2.6 118,-1.8 -2,-0.1 3,-1.4 -1.000 30.9-133.1-145.7 142.3 23.1 16.3 22.0 4 4 A P T 3 S+ 0 0 46 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.755 105.7 55.5 -64.2 -24.8 20.2 16.1 24.6 5 5 A T T > + 0 0 75 1,-0.2 3,-2.4 116,-0.1 4,-0.4 0.365 69.2 118.4 -91.3 6.5 21.2 19.4 26.3 6 6 A F T < S+ 0 0 101 -3,-1.4 4,-0.3 1,-0.3 3,-0.2 0.770 86.3 29.6 -43.0 -39.1 21.0 21.5 23.0 7 7 A Y T 3> S+ 0 0 3 -3,-0.4 4,-2.2 1,-0.1 -1,-0.3 0.282 84.7 109.2-108.0 12.0 18.2 23.7 24.4 8 8 A D T <4 S+ 0 0 60 -3,-2.4 -1,-0.1 1,-0.2 -2,-0.1 0.800 95.2 26.5 -58.9 -26.5 19.0 23.6 28.1 9 9 A N T 4 S+ 0 0 164 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.813 127.1 42.1-101.2 -43.0 20.2 27.3 27.9 10 10 A S T 4 S+ 0 0 61 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.788 136.3 4.6 -77.7 -30.3 18.2 28.7 25.0 11 11 A a >< + 0 0 5 -4,-2.2 3,-2.0 83,-0.1 4,-0.3 -0.365 65.3 170.0-155.6 67.5 14.8 27.2 25.7 12 12 A P T 3 S+ 0 0 79 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.711 79.8 51.8 -54.5 -24.6 14.8 25.2 28.9 13 13 A N T 3> S+ 0 0 97 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.346 74.2 104.9 -98.5 9.0 11.0 24.8 28.9 14 14 A V H <> S+ 0 0 8 -3,-2.0 4,-2.1 1,-0.2 5,-0.2 0.919 81.8 49.1 -54.8 -47.3 10.6 23.4 25.4 15 15 A S H > S+ 0 0 38 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.877 112.2 48.9 -59.3 -39.7 10.0 19.8 26.6 16 16 A N H > S+ 0 0 83 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.860 109.4 50.7 -69.3 -38.8 7.3 21.0 29.1 17 17 A I H X S+ 0 0 32 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.907 111.9 48.7 -66.0 -42.3 5.4 23.1 26.6 18 18 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.918 111.8 49.6 -62.7 -46.2 5.3 20.1 24.2 19 19 A R H X S+ 0 0 115 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.942 109.5 50.1 -59.9 -49.5 4.1 17.9 27.0 20 20 A D H X S+ 0 0 86 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.872 108.5 54.1 -59.3 -37.1 1.4 20.2 28.1 21 21 A T H X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.935 111.1 44.2 -64.1 -45.1 0.2 20.5 24.5 22 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.912 109.8 55.4 -68.0 -40.6 -0.2 16.8 24.1 23 23 A V H X S+ 0 0 46 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.938 111.1 44.9 -56.7 -47.3 -1.9 16.3 27.5 24 24 A N H >X S+ 0 0 79 -4,-2.1 3,-0.7 1,-0.2 4,-0.6 0.907 113.8 49.2 -64.4 -41.5 -4.6 18.8 26.6 25 25 A E H >X S+ 0 0 34 -4,-2.1 4,-2.5 1,-0.2 3,-1.2 0.896 102.1 62.8 -66.5 -37.7 -5.0 17.3 23.1 26 26 A L H 3< S+ 0 0 45 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.756 91.5 67.0 -59.0 -25.1 -5.3 13.8 24.5 27 27 A R H << S+ 0 0 178 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.867 116.9 23.9 -64.6 -35.8 -8.5 14.8 26.5 28 28 A S H << S+ 0 0 92 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.669 134.6 35.6-102.7 -21.2 -10.4 15.2 23.2 29 29 A D >< - 0 0 25 -4,-2.5 3,-1.5 -5,-0.1 4,-0.2 -0.785 59.4-178.8-135.9 91.5 -8.3 13.0 20.9 30 30 A P T 3 S+ 0 0 93 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.559 82.4 61.4 -65.0 -8.8 -7.0 9.9 22.7 31 31 A R T 3> S+ 0 0 62 1,-0.2 4,-2.2 2,-0.1 3,-0.4 0.602 76.1 91.6 -93.7 -14.8 -5.3 8.8 19.5 32 32 A I H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.774 79.7 56.7 -54.8 -33.8 -3.0 11.9 19.1 33 33 A A H > S+ 0 0 4 -4,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.945 111.4 44.2 -64.9 -45.5 0.0 10.4 21.0 34 34 A A H > S+ 0 0 15 -3,-0.4 4,-1.9 -4,-0.3 -2,-0.2 0.898 112.8 53.1 -62.5 -41.6 0.1 7.4 18.6 35 35 A S H X S+ 0 0 10 -4,-2.2 4,-1.7 1,-0.2 40,-0.3 0.888 108.5 49.2 -62.5 -40.2 -0.4 9.8 15.6 36 36 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.874 107.0 53.6 -69.7 -38.6 2.6 12.0 16.6 37 37 A L H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.933 109.5 50.5 -61.7 -42.3 5.0 9.1 17.1 38 38 A R H X S+ 0 0 87 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.889 104.6 56.9 -63.6 -37.9 4.1 8.0 13.5 39 39 A L H X S+ 0 0 1 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.909 107.2 48.3 -59.0 -42.1 4.7 11.5 12.1 40 40 A H H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.902 110.2 52.4 -64.0 -42.2 8.3 11.5 13.5 41 41 A F H X S+ 0 0 45 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.927 111.2 46.1 -59.7 -46.6 8.8 8.0 12.0 42 42 A H H < S+ 0 0 9 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.728 111.8 52.8 -70.8 -22.2 7.6 9.2 8.6 43 43 A D H >< S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.2 7,-0.3 0.964 110.9 45.8 -73.1 -55.5 9.8 12.3 8.9 44 44 A b H 3X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.3 -2,-0.2 0.740 105.1 59.3 -60.2 -30.2 12.9 10.3 9.7 45 45 A F T 3< S+ 0 0 2 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.3 0.411 101.1 62.4 -82.0 5.0 12.5 7.7 6.9 46 46 A V T <4 S- 0 0 0 -3,-1.7 4,-0.3 2,-0.3 6,-0.2 -0.888 134.6 -32.6-135.6 102.0 12.5 10.4 4.2 47 47 A N T 4 S- 0 0 65 -2,-0.4 -2,-0.1 2,-0.1 -3,-0.1 0.701 112.8 -77.8 60.0 22.4 15.8 12.4 3.9 48 48 A G S < S- 0 0 2 -4,-0.6 2,-1.8 -5,-0.1 4,-0.3 -0.132 78.4 -36.8 83.4 178.0 16.2 12.0 7.7 49 49 A b S S+ 0 0 0 238,-1.3 241,-0.3 235,-0.2 -5,-0.2 -0.556 86.4 126.5 -82.3 84.9 14.5 13.8 10.6 50 50 A D S S- 0 0 0 -2,-1.8 76,-2.5 -4,-0.3 48,-0.2 0.138 79.5-110.2-125.9 14.9 14.3 17.2 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.2 47,-0.2 4,-0.5 0.690 74.4 138.2 61.2 17.7 10.6 18.1 9.3 52 52 A S G > + 0 0 0 -4,-0.3 3,-1.3 1,-0.3 12,-0.4 0.875 64.5 62.7 -61.2 -32.1 10.3 17.7 5.5 53 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -7,-0.1 12,-0.1 0.773 94.5 61.0 -64.4 -24.4 7.1 15.9 6.2 54 54 A L G < S+ 0 0 5 -3,-1.2 -1,-0.2 10,-0.1 -2,-0.2 0.648 80.5 106.2 -79.6 -13.2 5.5 19.0 7.7 55 55 A L < - 0 0 1 -3,-1.3 10,-0.4 -4,-0.5 9,-0.4 -0.421 61.1-143.6 -70.6 138.8 5.9 21.1 4.6 56 56 A D - 0 0 47 246,-2.5 73,-0.1 1,-0.2 -1,-0.1 -0.415 38.2 -65.8 -91.8 174.4 2.7 21.9 2.6 57 57 A N + 0 0 81 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.183 49.3 177.0 -60.4 148.0 2.5 22.1 -1.2 58 58 A T - 0 0 52 3,-1.8 3,-0.4 -3,-0.1 5,-0.1 -0.901 45.6-103.8-141.7 167.0 4.3 24.8 -3.3 59 59 A T S S+ 0 0 147 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.675 119.2 48.7 -71.5 -11.9 4.4 25.2 -7.0 60 60 A S S S+ 0 0 101 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.671 119.9 19.0-101.4 -18.4 7.9 23.9 -7.1 61 61 A F S S- 0 0 35 -3,-0.4 -3,-1.8 69,-0.0 -1,-0.3 -0.992 73.3-121.2-150.9 145.7 7.6 20.7 -5.0 62 62 A R - 0 0 113 -2,-0.3 69,-0.6 -5,-0.2 2,-0.1 -0.587 34.0-107.9 -85.9 150.6 4.8 18.4 -3.9 63 63 A T > - 0 0 6 -2,-0.2 3,-1.3 1,-0.1 -7,-0.1 -0.440 13.6-132.0 -74.8 147.7 4.1 17.8 -0.2 64 64 A E G > S+ 0 0 0 -9,-0.4 3,-2.2 -12,-0.4 6,-0.2 0.650 98.7 84.4 -71.5 -14.4 4.9 14.4 1.3 65 65 A K G 3 S+ 0 0 33 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.697 85.3 56.4 -62.3 -16.7 1.4 14.6 2.8 66 66 A D G < S+ 0 0 94 -3,-1.3 -1,-0.3 5,-0.1 -2,-0.1 0.285 81.3 117.4 -98.0 10.1 0.2 13.1 -0.6 67 67 A A S X> S- 0 0 0 -3,-2.2 4,-3.4 1,-0.1 3,-1.2 -0.389 80.7-110.6 -72.9 156.2 2.4 10.1 -0.4 68 68 A F T 34 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.859 120.5 49.9 -56.7 -35.5 0.7 6.7 -0.3 69 69 A G T 34 S+ 0 0 22 1,-0.1 -1,-0.3 65,-0.1 -4,-0.1 0.672 122.4 31.3 -77.6 -16.4 1.9 6.2 3.3 70 70 A N T X> S+ 0 0 4 -3,-1.2 4,-2.8 -6,-0.2 3,-1.7 0.763 87.9 102.4-109.0 -37.0 0.6 9.7 4.4 71 71 A A T 3< S- 0 0 38 -4,-3.4 -5,-0.1 1,-0.3 -6,-0.0 -0.274 105.5 -7.8 -57.8 133.1 -2.5 10.6 2.3 72 72 A N T 34 S+ 0 0 125 -7,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.871 137.4 65.0 46.6 40.5 -5.8 10.1 4.2 73 73 A S T <4 S+ 0 0 20 -3,-1.7 -2,-0.2 1,-0.4 -1,-0.1 0.384 74.4 74.1-150.8 -59.5 -3.6 8.5 6.9 74 74 A A < + 0 0 20 -4,-2.8 -1,-0.4 -9,-0.2 2,-0.3 -0.393 62.0 168.1 -67.5 149.7 -1.1 10.7 8.6 75 75 A R + 0 0 76 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.0 -0.959 35.7 70.0-156.6 170.5 -2.6 13.1 11.1 76 76 A G >> + 0 0 10 -2,-0.3 4,-1.5 -37,-0.0 3,-0.9 0.406 51.8 135.4 97.0 -0.2 -2.1 15.6 14.0 77 77 A F H 3> S+ 0 0 26 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.826 71.4 52.7 -51.0 -39.2 -0.4 18.4 11.9 78 78 A P H 3> S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.863 105.2 56.2 -67.3 -31.3 -2.4 21.2 13.6 79 79 A V H <> S+ 0 0 5 -3,-0.9 4,-2.1 1,-0.2 -2,-0.2 0.884 106.0 50.4 -67.0 -35.2 -1.3 19.9 17.0 80 80 A I H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.901 108.9 52.6 -67.4 -39.3 2.3 20.2 15.8 81 81 A D H X S+ 0 0 42 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.883 107.6 52.8 -61.5 -39.2 1.4 23.8 14.7 82 82 A R H X S+ 0 0 124 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.962 111.8 42.3 -63.9 -52.8 -0.0 24.6 18.2 83 83 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.860 113.0 55.3 -64.1 -31.9 3.0 23.5 20.2 84 84 A K H X S+ 0 0 6 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.935 108.3 47.9 -65.2 -43.9 5.2 25.2 17.6 85 85 A A H X S+ 0 0 57 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.908 112.9 48.6 -61.6 -42.3 3.4 28.5 18.2 86 86 A A H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.922 113.0 47.0 -64.5 -44.6 3.7 28.1 22.0 87 87 A V H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.910 110.1 53.0 -65.0 -40.7 7.4 27.3 21.7 88 88 A E H < S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.2 50.2 -63.6 -30.7 7.9 30.3 19.4 89 89 A S H < S+ 0 0 104 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.917 115.9 41.5 -72.1 -41.9 6.2 32.5 22.0 90 90 A A H < S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.864 136.3 12.3 -73.5 -39.1 8.4 31.2 24.8 91 91 A a S >X S- 0 0 7 -4,-3.4 3,-1.2 -5,-0.2 4,-0.5 -0.650 85.1-138.6-144.7 87.1 11.6 31.2 22.8 92 92 A P T 34 S- 0 0 66 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.081 77.3 -11.5 -47.8 128.0 11.6 33.0 19.5 93 93 A R T 34 S+ 0 0 170 1,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.806 107.3 106.0 50.8 41.0 13.3 31.4 16.5 94 94 A T T <4 + 0 0 33 -3,-1.2 2,-0.6 1,-0.2 -1,-0.1 0.812 57.3 59.5-114.2 -48.4 15.1 28.8 18.6 95 95 A V S < S- 0 0 0 -4,-0.5 -1,-0.2 -11,-0.1 -2,-0.1 -0.789 73.1-136.3 -95.7 122.6 13.6 25.3 18.3 96 96 A S > - 0 0 0 -2,-0.6 4,-2.5 27,-0.3 5,-0.1 -0.303 18.8-121.9 -69.3 156.2 13.5 23.7 14.8 97 97 A c H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.852 113.6 58.5 -66.7 -32.8 10.4 21.8 13.7 98 98 A A H > S+ 0 0 0 -48,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.927 111.1 39.3 -62.7 -46.2 12.6 18.7 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.6 2,-0.2 5,-0.2 0.883 112.8 57.4 -70.2 -40.5 13.6 18.8 16.9 100 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.916 108.9 45.6 -57.5 -42.3 10.1 19.8 18.0 101 101 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.802 109.6 54.7 -72.0 -28.9 8.7 16.7 16.4 102 102 A T H X S+ 0 0 4 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.941 110.9 45.2 -68.8 -44.6 11.3 14.5 17.9 103 103 A I H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.888 110.3 54.8 -63.5 -41.4 10.5 15.7 21.4 104 104 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.874 107.5 50.2 -60.7 -38.2 6.7 15.3 20.7 105 105 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.930 113.1 45.2 -67.0 -45.9 7.3 11.7 19.7 106 106 A Q H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 115.5 46.2 -64.4 -45.3 9.2 11.0 22.9 107 107 A Q H X S+ 0 0 18 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.865 110.4 54.7 -66.0 -34.6 6.7 12.8 25.1 108 108 A S H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.914 108.7 48.1 -62.7 -44.4 3.9 11.1 23.3 109 109 A V H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 -2,-0.2 0.906 113.9 46.4 -63.6 -42.6 5.4 7.7 24.1 110 110 A T H ><5S+ 0 0 38 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.938 109.9 52.8 -66.9 -45.5 6.0 8.6 27.8 111 111 A L H 3<5S+ 0 0 51 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 105.0 56.4 -61.5 -27.3 2.5 10.0 28.2 112 112 A A T 3<5S- 0 0 17 -4,-1.3 117,-3.1 -5,-0.2 -1,-0.3 0.374 133.6 -89.7 -85.4 4.5 1.1 6.8 26.8 113 113 A G T < 5S+ 0 0 48 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.493 87.8 126.5 102.7 5.6 2.9 4.8 29.6 114 114 A G < - 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0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.933 64.2-169.5-113.3 112.2 -3.0 -3.9 19.9 223 223 A L S S+ 0 0 64 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.713 86.8 53.1 -72.4 -19.6 -6.0 -6.0 20.9 224 224 A R S S+ 0 0 97 1,-0.2 -1,-0.1 8,-0.1 -53,-0.0 0.976 130.5 3.2 -79.3 -61.6 -4.7 -6.2 24.5 225 225 A T > - 0 0 24 3,-0.1 3,-1.0 -54,-0.1 -1,-0.2 -0.705 68.4-174.5-129.4 83.5 -4.1 -2.5 25.4 226 226 A P T 3 S+ 0 0 39 0, 0.0 -53,-1.1 0, 0.0 -5,-0.2 0.695 84.8 23.4 -44.9 -34.6 -5.2 -0.3 22.4 227 227 A T T 3 S+ 0 0 91 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.394 101.0 95.7-120.2 1.1 -4.0 3.0 23.9 228 228 A I < - 0 0 77 -3,-1.0 2,-1.1 -57,-0.3 -115,-0.2 -0.818 69.8-132.0 -99.5 131.1 -1.2 2.0 26.3 229 229 A F + 0 0 1 -117,-3.1 2,-0.2 -2,-0.5 -57,-0.1 -0.666 59.7 118.2 -81.0 103.4 2.4 2.0 25.3 230 230 A D S > S- 0 0 20 -2,-1.1 3,-0.6 -62,-0.2 -116,-0.1 -0.843 76.8 -88.8-150.5-173.9 3.6 -1.4 26.5 231 231 A N T >> S+ 0 0 15 -2,-0.2 3,-1.2 1,-0.2 4,-0.9 0.325 89.6 103.6 -90.1 9.8 5.1 -4.7 25.3 232 232 A K H 3> + 0 0 73 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.727 65.5 74.9 -64.0 -21.6 1.8 -6.4 24.7 233 233 A Y H <> S+ 0 0 2 -3,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.900 99.1 45.6 -54.4 -42.0 2.2 -5.9 21.0 234 234 A Y H <> S+ 0 0 0 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.834 105.3 57.4 -73.5 -35.3 4.8 -8.7 21.1 235 235 A V H X S+ 0 0 33 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.894 106.4 53.7 -61.8 -36.0 2.7 -11.1 23.2 236 236 A N H ><>S+ 0 0 2 -4,-2.0 5,-2.9 1,-0.2 3,-1.3 0.937 104.5 52.3 -62.4 -49.0 0.1 -10.8 20.4 237 237 A L H ><5S+ 0 0 0 -4,-1.5 3,-1.9 4,-0.3 5,-0.2 0.870 103.5 58.0 -55.9 -39.3 2.6 -11.8 17.7 238 238 A E H 3<5S+ 0 0 63 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 108.9 46.7 -64.8 -21.6 3.5 -14.9 19.6 239 239 A E T <<5S- 0 0 76 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.213 122.8-105.9-103.3 15.0 -0.1 -15.9 19.5 240 240 A Q T < 5S+ 0 0 64 -3,-1.9 -42,-3.0 -43,-0.1 -3,-0.2 0.827 87.1 123.6 65.5 32.7 -0.4 -15.1 15.7 241 241 A K < + 0 0 35 -5,-2.9 -18,-0.3 -44,-0.2 -4,-0.3 0.101 21.1 134.9-112.7 22.4 -2.4 -11.9 16.6 242 242 A G - 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