==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-MAY-01 1H5E . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR G.I.BERGLUND,G.H.CARLSSON,J.HAJDU,A.T.SMITH,H.SZOKE, . 306 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 65.4 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 . 12 3.9 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 . 2 0.7 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 . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 37.3 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 . 4 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 0 218 0, 0.0 2,-0.1 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 136.3 26.9 15.8 16.8 2 2 A L - 0 0 26 118,-0.1 120,-0.2 284,-0.1 289,-0.0 -0.481 360.0-170.4 -73.8 144.6 23.4 15.7 18.2 3 3 A T B > -A 121 0A 50 118,-2.7 3,-1.6 -2,-0.1 118,-1.4 -1.000 30.9-135.2-140.8 139.4 23.2 16.2 22.0 4 4 A P T 3 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.741 106.0 56.3 -62.8 -22.7 20.3 15.9 24.6 5 5 A T T > + 0 0 75 1,-0.2 3,-1.9 116,-0.1 4,-0.3 0.270 68.6 118.6 -94.4 12.0 21.3 19.2 26.2 6 6 A F T < S+ 0 0 100 -3,-1.6 4,-0.3 1,-0.3 3,-0.3 0.801 85.2 30.4 -47.7 -39.2 21.1 21.3 23.0 7 7 A Y T 3> S+ 0 0 3 -3,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.237 82.9 110.7-108.1 14.5 18.3 23.6 24.4 8 8 A D T <4 S+ 0 0 56 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.718 94.9 26.0 -62.1 -19.5 19.2 23.6 28.1 9 9 A N T 4 S+ 0 0 167 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.768 127.3 42.4-108.0 -43.0 20.3 27.2 27.9 10 10 A S T 4 S- 0 0 59 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.720 138.8 -1.2 -79.3 -23.9 18.3 28.6 24.9 11 11 A a >< + 0 0 1 -4,-2.4 3,-2.0 83,-0.1 4,-0.3 -0.228 63.6 166.4-165.8 64.3 15.0 26.9 25.8 12 12 A P T 3 S+ 0 0 79 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.722 80.4 56.9 -57.2 -21.9 15.1 24.7 28.9 13 13 A N T 3> S+ 0 0 96 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.400 74.3 101.1 -92.7 3.2 11.3 24.6 29.0 14 14 A V H <> S+ 0 0 8 -3,-2.0 4,-2.1 1,-0.2 5,-0.2 0.905 81.2 49.6 -54.7 -46.8 10.8 23.2 25.5 15 15 A S H > S+ 0 0 40 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.871 111.4 50.0 -61.9 -37.5 10.1 19.6 26.6 16 16 A N H > S+ 0 0 90 -4,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.877 109.3 50.8 -68.5 -38.9 7.6 20.8 29.2 17 17 A I H X S+ 0 0 30 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.893 111.3 48.5 -65.8 -40.4 5.7 22.9 26.7 18 18 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.927 111.8 49.6 -64.9 -45.0 5.5 20.0 24.3 19 19 A R H X S+ 0 0 107 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.934 109.3 51.2 -59.8 -48.7 4.3 17.7 27.0 20 20 A D H X S+ 0 0 90 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 108.4 52.3 -56.7 -42.4 1.6 20.2 28.1 21 21 A T H X S+ 0 0 12 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.920 112.2 44.7 -61.0 -45.1 0.3 20.5 24.5 22 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.887 110.0 54.7 -67.9 -39.6 -0.0 16.7 24.2 23 23 A V H X S+ 0 0 51 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.939 111.2 45.9 -58.9 -46.9 -1.7 16.3 27.6 24 24 A N H >X S+ 0 0 92 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.918 113.8 47.9 -63.3 -43.9 -4.3 18.8 26.6 25 25 A E H >X S+ 0 0 28 -4,-2.2 4,-2.6 1,-0.2 3,-1.1 0.863 100.7 66.0 -64.8 -38.2 -4.9 17.3 23.2 26 26 A L H 3< S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.749 90.7 66.0 -56.7 -25.9 -5.2 13.7 24.6 27 27 A R H << S+ 0 0 178 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.894 116.7 24.3 -65.2 -39.5 -8.4 14.7 26.4 28 28 A S H << S+ 0 0 93 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.668 135.3 35.7 -98.0 -21.4 -10.3 15.2 23.2 29 29 A D >< + 0 0 23 -4,-2.6 3,-1.4 -5,-0.1 4,-0.3 -0.773 58.5 179.2-137.1 91.2 -8.2 13.0 21.0 30 30 A P T 3 S+ 0 0 89 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.524 83.1 61.0 -66.6 -6.6 -6.8 9.8 22.8 31 31 A R T 3> S+ 0 0 58 1,-0.1 4,-2.3 2,-0.1 3,-0.4 0.590 76.4 91.6 -96.5 -14.1 -5.1 8.8 19.5 32 32 A I H <> S+ 0 0 1 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.777 79.4 57.6 -55.3 -33.8 -2.9 11.8 19.2 33 33 A A H > S+ 0 0 5 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.956 111.1 43.4 -63.3 -47.6 0.1 10.3 21.1 34 34 A A H > S+ 0 0 14 -3,-0.4 4,-2.0 -4,-0.2 -2,-0.2 0.924 112.9 52.8 -61.3 -46.2 0.2 7.4 18.6 35 35 A S H X S+ 0 0 10 -4,-2.3 4,-1.6 1,-0.2 40,-0.3 0.886 108.9 49.6 -58.3 -41.1 -0.3 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 0.892 107.5 52.3 -68.6 -40.0 2.6 12.0 16.7 37 37 A L H X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.915 109.9 51.2 -61.7 -39.8 5.1 9.1 17.1 38 38 A R H X S+ 0 0 81 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.855 103.9 56.9 -66.1 -35.0 4.2 8.0 13.6 39 39 A L H X S+ 0 0 1 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.901 107.0 49.4 -62.5 -39.8 4.8 11.5 12.2 40 40 A H H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.903 110.6 50.6 -64.5 -42.2 8.3 11.3 13.6 41 41 A F H X S+ 0 0 43 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.948 112.3 45.7 -61.1 -50.6 8.9 7.9 12.0 42 42 A H H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.706 112.6 52.9 -68.5 -18.0 7.6 9.1 8.6 43 43 A D H >< S+ 0 0 0 -4,-1.2 3,-1.5 -5,-0.2 7,-0.3 0.949 110.4 45.8 -78.1 -51.1 9.8 12.2 9.0 44 44 A b H 3X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.3 -2,-0.2 0.770 105.2 60.1 -61.7 -31.7 13.0 10.3 9.7 45 45 A F T 3< S+ 0 0 1 -4,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.437 99.7 63.0 -79.4 2.2 12.5 7.7 6.9 46 46 A V T <4 S- 0 0 0 -3,-1.5 4,-0.3 2,-0.3 6,-0.2 -0.868 134.7 -34.2-132.5 100.2 12.5 10.4 4.2 47 47 A N T 4 S- 0 0 67 -2,-0.4 -2,-0.1 86,-0.1 -3,-0.1 0.639 113.7 -75.6 63.5 17.1 15.8 12.4 3.9 48 48 A G S < S- 0 0 1 -4,-0.7 2,-1.9 -5,-0.2 4,-0.4 -0.189 77.5 -39.3 89.4 175.4 16.2 12.0 7.7 49 49 A b S S+ 0 0 0 238,-1.2 241,-0.3 235,-0.2 -5,-0.2 -0.571 85.9 128.2 -80.3 84.5 14.4 13.7 10.6 50 50 A D S S- 0 0 1 -2,-1.9 76,-2.8 -4,-0.3 48,-0.2 0.102 79.7-109.3-125.7 16.8 14.4 17.2 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.1 47,-0.2 4,-0.4 0.685 75.3 137.8 60.3 19.8 10.7 18.1 9.4 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.3 1,-0.3 12,-0.4 0.856 63.7 62.3 -63.5 -32.0 10.3 17.7 5.7 53 53 A I G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -7,-0.1 12,-0.1 0.734 94.9 62.4 -65.3 -22.4 7.0 15.8 6.2 54 54 A L G < S+ 0 0 5 -3,-1.1 -1,-0.3 10,-0.1 -2,-0.2 0.651 80.7 104.7 -79.7 -14.7 5.5 19.0 7.8 55 55 A L < - 0 0 1 -3,-1.3 10,-0.4 -4,-0.4 9,-0.4 -0.422 61.1-143.6 -71.6 139.5 5.8 21.1 4.7 56 56 A D - 0 0 49 246,-2.6 73,-0.1 1,-0.2 -1,-0.1 -0.438 39.2 -64.4 -92.5 173.0 2.7 21.9 2.6 57 57 A N + 0 0 83 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.139 49.2 177.6 -58.1 149.0 2.5 22.1 -1.2 58 58 A T - 0 0 52 3,-1.9 5,-0.1 -3,-0.1 -1,-0.0 -0.903 44.4-106.3-142.5 165.6 4.4 24.8 -3.2 59 59 A T S S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.645 119.4 47.8 -73.4 -11.0 4.5 25.3 -6.9 60 60 A S S S+ 0 0 99 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.762 120.7 20.4 -98.1 -31.5 8.0 24.0 -7.0 61 61 A F S S- 0 0 34 69,-0.0 -3,-1.9 70,-0.0 -1,-0.3 -0.996 72.2-123.0-142.2 147.5 7.7 20.8 -4.9 62 62 A R - 0 0 111 -2,-0.3 69,-0.5 -5,-0.2 2,-0.2 -0.524 34.2-106.3 -85.0 154.2 4.8 18.5 -3.8 63 63 A T > - 0 0 6 -2,-0.2 3,-1.5 1,-0.1 -7,-0.1 -0.530 12.7-134.5 -80.7 144.3 4.1 17.8 -0.1 64 64 A E G > S+ 0 0 0 -12,-0.4 3,-2.0 -9,-0.4 6,-0.2 0.634 98.1 83.5 -70.0 -11.5 4.9 14.4 1.4 65 65 A K G 3 S+ 0 0 30 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.682 85.9 55.7 -66.1 -15.8 1.4 14.5 2.9 66 66 A D G < S+ 0 0 96 -3,-1.5 -1,-0.3 5,-0.1 -2,-0.1 0.193 81.8 120.0-100.2 15.0 0.2 13.1 -0.5 67 67 A A S X> S- 0 0 0 -3,-2.0 4,-3.2 1,-0.1 3,-1.3 -0.414 79.2-111.8 -74.9 156.5 2.5 10.1 -0.3 68 68 A F T 34 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.833 119.8 48.4 -59.4 -31.3 0.8 6.7 -0.4 69 69 A G T 34 S+ 0 0 20 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.583 122.1 32.9 -85.4 -9.4 2.0 6.1 3.2 70 70 A N T X> S+ 0 0 3 -3,-1.3 4,-2.5 -6,-0.2 3,-1.8 0.759 86.9 102.6-112.3 -41.0 0.7 9.5 4.4 71 71 A A T 3< S- 0 0 40 -4,-3.2 -5,-0.1 1,-0.3 -6,-0.0 -0.220 103.6 -5.5 -53.6 130.1 -2.4 10.5 2.5 72 72 A N T 34 S+ 0 0 123 -7,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.837 136.3 61.5 52.9 36.2 -5.6 10.0 4.4 73 73 A S T <4 S+ 0 0 19 -3,-1.8 -2,-0.2 1,-0.4 -1,-0.1 0.368 75.6 78.0-148.4 -62.0 -3.5 8.4 7.2 74 74 A A < + 0 0 19 -4,-2.5 -1,-0.4 -9,-0.2 2,-0.3 -0.369 61.9 166.0 -61.3 139.1 -0.9 10.7 8.7 75 75 A R + 0 0 76 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.1 -0.933 34.1 72.0-150.8 171.1 -2.5 13.1 11.2 76 76 A G >> + 0 0 9 -2,-0.3 4,-1.6 -37,-0.0 3,-0.6 0.467 51.0 133.9 98.5 4.1 -1.9 15.5 14.0 77 77 A F H 3> S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.852 71.6 53.2 -56.2 -37.8 -0.4 18.3 12.0 78 78 A P H 3> S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.857 105.6 54.9 -67.3 -31.9 -2.5 21.1 13.7 79 79 A V H <> S+ 0 0 7 -3,-0.6 4,-2.2 2,-0.2 5,-0.2 0.873 106.7 50.6 -67.2 -36.9 -1.3 19.9 17.1 80 80 A I H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.909 108.2 52.9 -66.9 -40.2 2.3 20.3 16.0 81 81 A D H X S+ 0 0 42 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.884 108.6 52.1 -60.1 -39.3 1.5 23.8 14.8 82 82 A R H X S+ 0 0 117 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 111.6 42.6 -65.1 -49.8 0.1 24.5 18.2 83 83 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.862 112.2 56.1 -67.4 -32.3 3.1 23.4 20.2 84 84 A K H X S+ 0 0 6 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.922 108.3 47.3 -63.5 -43.0 5.4 25.1 17.7 85 85 A A H X S+ 0 0 60 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.909 112.2 49.7 -63.7 -43.0 3.6 28.4 18.3 86 86 A A H X S+ 0 0 40 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.891 114.0 45.5 -63.0 -40.5 3.8 27.9 22.1 87 87 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.869 109.8 54.1 -71.5 -36.8 7.5 27.2 21.9 88 88 A E H < S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.818 108.5 51.0 -65.8 -29.8 8.1 30.1 19.5 89 89 A S H < S+ 0 0 102 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.888 116.5 39.0 -73.5 -40.3 6.4 32.4 22.1 90 90 A A H < S+ 0 0 56 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.833 136.6 16.7 -78.2 -34.2 8.6 31.1 24.9 91 91 A a S >X S- 0 0 14 -4,-3.1 3,-1.3 -5,-0.1 4,-0.6 -0.659 83.7-144.2-143.6 83.0 11.8 30.9 22.8 92 92 A P T 34 S- 0 0 64 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.140 77.3 -11.0 -50.5 134.4 11.6 32.9 19.5 93 93 A R T 34 S+ 0 0 169 1,-0.1 3,-0.1 2,-0.1 204,-0.1 0.773 109.8 103.8 43.7 41.5 13.4 31.3 16.5 94 94 A T T <4 + 0 0 34 -3,-1.3 2,-0.6 1,-0.2 -1,-0.1 0.820 58.0 58.8-114.4 -51.8 15.2 28.7 18.6 95 95 A V S < S- 0 0 1 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.771 73.9-136.5 -92.7 120.8 13.7 25.2 18.4 96 96 A S > - 0 0 0 -2,-0.6 4,-2.4 27,-0.3 5,-0.1 -0.282 17.9-121.5 -68.6 156.9 13.6 23.6 14.9 97 97 A c H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.856 113.3 58.2 -67.1 -34.3 10.5 21.8 13.8 98 98 A A H > S+ 0 0 0 -48,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 111.3 40.2 -60.8 -46.5 12.6 18.6 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.7 2,-0.2 5,-0.3 0.897 112.4 56.6 -68.5 -41.8 13.7 18.7 17.0 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 108.7 46.3 -56.0 -45.9 10.2 19.7 18.1 101 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.827 110.7 53.3 -67.1 -32.4 8.7 16.6 16.4 102 102 A T H X S+ 0 0 4 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.928 112.0 44.1 -67.7 -45.3 11.4 14.4 17.9 103 103 A I H X S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.908 111.5 54.9 -64.6 -41.8 10.6 15.7 21.4 104 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.889 107.6 50.0 -58.7 -40.7 6.9 15.3 20.7 105 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.934 113.1 44.9 -64.7 -47.4 7.4 11.7 19.7 106 106 A Q H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.933 114.3 48.5 -63.3 -46.3 9.3 10.9 22.9 107 107 A Q H X S+ 0 0 17 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.870 109.6 54.1 -62.6 -35.8 6.9 12.7 25.1 108 108 A S H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.920 108.8 48.3 -63.6 -43.7 4.0 10.9 23.4 109 109 A V H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 -2,-0.2 0.927 114.0 46.3 -62.1 -44.9 5.6 7.6 24.1 110 110 A T H ><5S+ 0 0 37 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.914 109.5 53.2 -64.9 -43.8 6.2 8.5 27.8 111 111 A L H 3<5S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.0 56.7 -62.1 -28.7 2.6 9.9 28.2 112 112 A A T 3<5S- 0 0 15 -4,-1.5 117,-3.1 -5,-0.2 -1,-0.3 0.353 132.6 -90.6 -84.5 5.7 1.2 6.6 26.9 113 113 A G T < 5S+ 0 0 47 -3,-1.9 -3,-0.2 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224 A R S S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.970 131.0 2.3 -79.5 -60.1 -4.6 -6.2 24.5 225 225 A T > - 0 0 27 -54,-0.1 3,-0.9 3,-0.1 -1,-0.2 -0.719 69.8-175.2-132.1 82.9 -3.9 -2.6 25.4 226 226 A P T 3 S+ 0 0 38 0, 0.0 -53,-1.1 0, 0.0 -5,-0.2 0.711 83.7 23.7 -47.0 -34.9 -5.1 -0.4 22.5 227 227 A T T 3 S+ 0 0 87 -55,-0.2 2,-0.4 -7,-0.1 -55,-0.1 0.365 101.2 94.3-120.3 5.2 -3.8 3.0 23.9 228 228 A I S < S- 0 0 79 -3,-0.9 2,-1.0 -57,-0.3 -115,-0.2 -0.836 70.3-131.2-102.3 134.8 -1.1 2.0 26.3 229 229 A F + 0 0 1 -117,-3.1 2,-0.2 -2,-0.4 -57,-0.1 -0.729 59.7 117.7 -85.5 104.4 2.6 1.9 25.3 230 230 A D S > S- 0 0 23 -2,-1.0 3,-0.6 -62,-0.2 -116,-0.1 -0.840 77.7 -87.3-150.6-174.1 3.8 -1.5 26.5 231 231 A N T >> S+ 0 0 11 -2,-0.2 3,-1.3 1,-0.2 4,-0.9 0.308 89.5 105.7 -88.8 10.3 5.2 -4.8 25.3 232 232 A K H 3> + 0 0 80 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.793 66.0 73.1 -60.0 -28.1 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 0.868 99.0 45.8 -53.1 -38.9 2.4 -6.0 21.0 234 234 A Y 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A I S >> S- 0 0 7 -23,-0.1 4,-2.0 1,-0.1 3,-1.0 -0.570 86.5-109.7 -98.2 163.0 -1.0 -6.3 9.8 245 245 A Q H 3> S+ 0 0 17 -66,-0.4 4,-2.2 1,-0.3 5,-0.2 0.914 117.6 54.7 -52.7 -48.4 1.1 -8.5 7.6 246 246 A S H 34 S+ 0 0 14 -105,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.743 107.9 51.6 -60.9 -24.5 4.3 -6.6 8.5 247 247 A D H X4 S+ 0 0 2 -3,-1.0 3,-1.3 2,-0.1 4,-0.3 0.968 112.4 42.1 -75.0 -56.1 3.7 -7.1 12.2 248 248 A Q H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.3 3,-1.6 0.775 102.0 68.6 -63.3 -29.1 3.1 -10.9 12.1 249 249 A E H 3X S+ 0 0 26 -4,-2.2 4,-1.8 1,-0.3 -1,-0.3 0.773 85.0 71.2 -63.4 -24.3 6.0 -11.5 9.7 250 250 A L H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.4 13,-0.2 0.802 116.3 23.2 -60.4 -25.8 8.4 -10.5 12.5 251 251 A F H <4 S+ 0 0 30 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.720 133.4 34.5-110.4 -28.9 7.5 -13.8 14.1 252 252 A S H < S+ 0 0 38 -4,-2.5 -3,-0.2 3,-0.0 -2,-0.2 0.563 81.0 114.7-108.4 -10.4 6.2 -16.0 11.3 253 253 A S S >< S- 0 0 17 -4,-1.8 3,-2.1 -5,-0.3 7,-0.1 -0.275 70.1-126.3 -64.2 146.8 8.2 -15.2 8.2 254 254 A P T 3 S+ 0 0 133 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.729 116.0 53.0 -62.9 -18.5 10.5 -18.0 6.8 255 255 A N T > S+ 0 0 69 1,-0.2 3,-0.5 -6,-0.1 4,-0.2 0.204 80.9 99.2-100.4 14.2 13.2 -15.3 7.1 256 256 A A T <> + 0 0 0 -3,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.185 38.1 114.5 -89.1 18.3 12.5 -14.6 10.8 257 257 A T T 34 S+ 0 0 122 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.880 87.5 37.4 -55.2 -37.3 15.3 -16.7 12.2 258 258 A D T <4 S+ 0 0 57 -3,-0.5 4,-0.4 1,-0.1 -1,-0.2 0.751 119.4 46.9 -87.3 -24.5 16.9 -13.5 13.5 259 259 A T T > S+ 0 0 0 -4,-0.2 4,-2.5 2,-0.1 3,-0.3 0.784 96.5 69.6 -89.6 -27.2 13.7 -11.6 14.5 260 260 A I H X S+ 0 0 50 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.921 98.7 49.6 -57.3 -47.0 11.9 -14.4 16.4 261 261 A P H > S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.838 111.6 50.7 -63.2 -29.1 14.3 -14.3 19.4 262 262 A L H > S+ 0 0 38 -4,-0.4 4,-2.3 -3,-0.3 -2,-0.2 0.913 108.9 50.3 -72.4 -43.2 13.9 -10.6 19.5 263 263 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -13,-0.2 5,-0.2 0.942 113.5 46.2 -58.7 -48.5 10.1 -10.8 19.5 264 264 A R H X S+ 0 0 118 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 111.0 51.8 -60.9 -45.7 10.3 -13.3 22.3 265 265 A S H X S+ 0 0 39 -4,-2.2 4,-1.1 1,-0.2 8,-0.2 0.877 112.3 45.8 -60.3 -38.5 12.8 -11.3 24.4 266 266 A F H < S+ 0 0 5 -4,-2.3 7,-0.3 2,-0.2 -1,-0.2 0.783 113.0 50.0 -75.7 -27.8 10.6 -8.2 24.1 267 267 A A H < S+ 0 0 10 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.849 111.5 49.9 -76.7 -33.7 7.5 -10.1 25.0 268 268 A N H < S+ 0 0 127 -4,-2.5 2,-0.4 1,-0.2 -2,-0.2 0.705 118.5 32.3 -78.1 -22.4 9.2 -11.7 28.0 269 269 A S X - 0 0 37 -4,-1.1 4,-2.3 -5,-0.2 -1,-0.2 -0.913 51.1-164.4-145.8 118.0 10.5 -8.5 29.5 270 270 A T H > S+ 0 0 63 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.904 99.4 54.1 -59.9 -41.7 9.1 -4.9 29.5 271 271 A Q H > S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 107.6 49.2 -59.3 -45.4 12.6 -3.6 30.5 272 272 A T H > S+ 0 0 57 -7,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 114.5 45.6 -61.6 -45.5 14.3 -5.4 27.6 273 273 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 -7,-0.3 -2,-0.2 0.966 113.2 48.5 -62.5 -52.7 11.7 -3.9 25.2 274 274 A F H X S+ 0 0 35 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.899 111.6 49.7 -55.2 -44.1 11.9 -0.4 26.6 275 275 A N H X S+ 0 0 101 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.929 114.1 45.4 -61.1 -45.2 15.7 -0.4 26.5 276 276 A A H X S+ 0 0 19 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.855 110.4 54.4 -66.4 -36.9 15.7 -1.6 22.9 277 277 A F H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.907 110.2 45.3 -65.4 -42.8 13.0 0.9 21.9 278 278 A V H X S+ 0 0 29 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.929 114.0 50.1 -66.0 -43.1 14.9 3.9 23.3 279 279 A E H X S+ 0 0 112 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.922 115.9 41.5 -60.5 -45.3 18.1 2.6 21.6 280 280 A A H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.875 111.8 55.7 -71.0 -38.0 16.4 2.1 18.3 281 281 A M H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.913 108.7 47.1 -61.2 -43.1 14.4 5.4 18.6 282 282 A D H < S+ 0 0 40 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.848 111.1 52.0 -69.3 -30.9 17.6 7.4 19.1 283 283 A R H >< S+ 0 0 65 -4,-1.4 3,-1.0 -5,-0.2 -2,-0.2 0.923 111.8 45.6 -69.6 -41.7 19.2 5.6 16.1 284 284 A M H >< S+ 0 0 3 -4,-2.6 3,-1.7 1,-0.3 -235,-0.2 0.902 109.6 56.1 -66.1 -38.6 16.3 6.5 13.9 285 285 A G T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.587 101.7 59.2 -69.2 -8.5 16.4 10.0 15.2 286 286 A N T < S+ 0 0 78 -3,-1.0 2,-0.5 -4,-0.4 -1,-0.3 0.248 73.4 129.6-102.5 9.9 20.0 10.2 14.1 287 287 A I S < S- 0 0 14 -3,-1.7 -238,-1.2 1,-0.2 -131,-0.1 -0.573 88.8 -44.5 -73.3 118.0 19.3 9.5 10.4 288 288 A T S S- 0 0 91 -2,-0.5 -1,-0.2 -240,-0.2 2,-0.1 0.731 79.4-175.3 25.8 61.2 21.0 12.1 8.2 289 289 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.412 27.3-123.4 -79.6 155.3 20.1 15.2 10.2 290 290 A L B +B 124 0B 44 -166,-0.5 -166,-1.8 -241,-0.3 2,-0.3 -0.843 44.6 172.1 -92.3 134.0 20.9 18.7 9.0 291 291 A T > + 0 0 42 -2,-0.5 3,-2.3 -168,-0.2 2,-0.5 -0.824 37.0 15.3-137.1 176.1 23.0 20.4 11.8 292 292 A G T 3 S- 0 0 58 -170,-0.4 -2,-0.1 1,-0.3 -170,-0.0 -0.450 131.6 -17.8 64.6-111.2 25.1 23.5 12.5 293 293 A T T 3 S+ 0 0 135 -2,-0.5 -1,-0.3 -169,-0.0 2,-0.2 0.336 106.8 116.2-109.5 2.9 24.2 26.1 9.9 294 294 A Q S < S- 0 0 96 -3,-2.3 -169,-0.1 2,-0.1 -4,-0.1 -0.482 80.4 -10.9 -72.4 141.6 22.7 23.7 7.5 295 295 A G S S- 0 0 21 -2,-0.2 2,-0.3 -171,-0.1 -169,-0.2 -0.185 91.6 -87.5 64.4-161.9 19.0 24.2 6.8 296 296 A Q B -C 125 0C 39 -171,-1.8 -171,-3.2 -170,-0.0 2,-0.9 -0.822 21.2-103.3-140.1 177.2 17.0 26.6 9.0 297 297 A I - 0 0 26 -2,-0.3 2,-0.1 -173,-0.2 -201,-0.1 -0.903 49.5-142.2-102.7 95.9 15.0 27.0 12.2 298 298 A R - 0 0 0 -2,-0.9 3,-0.2 1,-0.1 6,-0.1 -0.400 14.9-162.1 -63.3 134.3 11.6 27.1 10.5 299 299 A L S S+ 0 0 79 1,-0.3 2,-0.5 4,-0.2 -1,-0.1 0.828 87.4 31.8 -85.8 -37.0 9.2 29.6 12.1 300 300 A N B > S-E 303 0E 73 3,-0.5 3,-1.8 1,-0.1 -1,-0.3 -0.990 79.6-147.6-120.5 113.8 6.1 28.0 10.6 301 301 A c T 3 S+ 0 0 1 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.697 94.0 61.7 -59.1 -17.6 6.6 24.2 10.2 302 302 A R T 3 S+ 0 0 59 -247,-0.2 -246,-2.6 1,-0.1 2,-0.3 0.657 108.5 36.4 -83.3 -17.1 4.4 24.2 7.1 303 303 A V B < S-E 300 0E 68 -3,-1.8 -3,-0.5 -248,-0.2 -4,-0.2 -0.983 81.4-110.0-140.2 150.4 6.6 26.6 5.1 304 304 A V - 0 0 42 -2,-0.3 -177,-0.1 1,-0.1 -2,-0.0 -0.460 50.1 -98.0 -72.2 146.7 10.2 27.3 4.5 305 305 A N 0 0 55 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.333 360.0 360.0 -65.7 150.4 11.4 30.7 5.9 306 306 A S 0 0 172 -3,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.569 360.0 360.0-132.7 360.0 11.5 33.6 3.4