==== 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 20-MAY-01 1H57 . 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) . 13152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 64.7 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 . 11 3.6 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 . 113 36.9 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 2 1 2 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 0 220 0, 0.0 2,-0.1 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 143.7 26.9 15.7 16.7 2 2 A L - 0 0 27 118,-0.1 120,-0.2 284,-0.1 289,-0.0 -0.430 360.0-170.9 -72.3 147.4 23.5 15.7 18.3 3 3 A T B > -A 121 0A 51 118,-2.6 3,-1.6 -2,-0.1 118,-1.3 -1.000 31.4-132.7-144.2 139.8 23.2 16.2 22.0 4 4 A P T 3 S+ 0 0 46 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.735 106.4 56.1 -60.7 -24.1 20.4 16.0 24.6 5 5 A T T > + 0 0 73 1,-0.2 3,-2.1 116,-0.1 4,-0.3 0.316 68.7 117.9 -93.3 8.9 21.4 19.3 26.2 6 6 A F T < S+ 0 0 102 -3,-1.6 4,-0.3 1,-0.3 3,-0.3 0.791 86.1 30.2 -45.5 -39.7 21.2 21.4 23.0 7 7 A Y T 3> S+ 0 0 3 -3,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.264 83.7 110.1-107.2 12.2 18.4 23.7 24.4 8 8 A D T <4 S+ 0 0 58 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.724 94.8 27.0 -60.2 -20.5 19.3 23.6 28.1 9 9 A N T 4 S+ 0 0 164 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.789 127.2 41.4-106.2 -45.0 20.4 27.2 27.8 10 10 A S T 4 S+ 0 0 60 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.755 138.2 1.8 -77.8 -27.6 18.4 28.7 24.9 11 11 A a >< + 0 0 0 -4,-2.5 3,-1.8 83,-0.1 4,-0.3 -0.335 64.6 167.2-160.3 67.7 15.0 27.0 25.8 12 12 A P T 3 S+ 0 0 72 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.757 79.9 54.1 -57.4 -26.6 15.2 24.9 28.9 13 13 A N T 3> S+ 0 0 101 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.290 74.5 104.8 -94.0 11.1 11.4 24.6 29.1 14 14 A V H <> S+ 0 0 8 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.921 80.4 48.4 -58.2 -47.2 10.9 23.2 25.5 15 15 A S H > S+ 0 0 38 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.856 111.7 51.1 -62.2 -35.2 10.1 19.6 26.6 16 16 A N H > S+ 0 0 85 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.881 109.5 49.1 -69.6 -39.1 7.6 20.9 29.2 17 17 A I H X S+ 0 0 30 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.905 112.7 48.4 -66.2 -40.9 5.8 23.0 26.7 18 18 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.944 112.4 48.3 -63.7 -47.9 5.6 20.1 24.3 19 19 A R H X S+ 0 0 113 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.934 109.9 51.9 -58.0 -49.0 4.4 17.8 27.0 20 20 A D H X S+ 0 0 98 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.879 108.1 52.0 -56.6 -40.3 1.7 20.3 28.1 21 21 A T H X S+ 0 0 15 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.925 112.4 44.7 -63.5 -44.3 0.4 20.6 24.6 22 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.888 109.8 54.7 -68.2 -39.6 0.1 16.8 24.2 23 23 A V H X S+ 0 0 46 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.927 111.1 46.6 -59.2 -44.1 -1.5 16.3 27.6 24 24 A N H >< S+ 0 0 81 -4,-2.0 3,-0.7 -5,-0.2 4,-0.4 0.895 113.0 47.6 -65.5 -42.2 -4.2 18.9 26.6 25 25 A E H >X S+ 0 0 30 -4,-2.0 4,-2.5 1,-0.2 3,-1.3 0.851 101.1 65.9 -69.2 -34.3 -4.8 17.4 23.2 26 26 A L H 3< S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.752 90.4 66.1 -59.6 -25.2 -5.1 13.9 24.6 27 27 A R T << S+ 0 0 171 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.815 116.3 25.3 -68.2 -29.2 -8.3 14.9 26.5 28 28 A S T <4 S+ 0 0 91 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.649 134.7 34.0-106.0 -22.5 -10.2 15.4 23.2 29 29 A D >< - 0 0 24 -4,-2.5 3,-1.5 1,-0.1 4,-0.2 -0.798 58.4-177.9-137.9 93.5 -8.1 13.0 21.0 30 30 A P T 3 S+ 0 0 91 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.550 83.6 61.8 -66.9 -6.8 -6.8 9.9 22.8 31 31 A R T 3> S+ 0 0 60 1,-0.2 4,-2.3 2,-0.1 3,-0.4 0.571 75.9 91.8 -95.6 -11.8 -5.1 8.8 19.5 32 32 A I H <> S+ 0 0 1 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.774 79.1 57.4 -57.4 -33.1 -2.8 11.9 19.2 33 33 A A H > S+ 0 0 5 -4,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.945 111.3 43.5 -64.5 -45.6 0.2 10.3 21.1 34 34 A A H > S+ 0 0 14 -3,-0.4 4,-2.1 -4,-0.2 -2,-0.2 0.932 113.0 52.8 -63.2 -45.8 0.3 7.5 18.6 35 35 A S H X S+ 0 0 10 -4,-2.3 4,-1.6 1,-0.2 40,-0.3 0.882 108.9 49.2 -58.3 -41.6 -0.2 9.8 15.7 36 36 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.888 107.9 52.6 -68.0 -40.0 2.7 12.0 16.7 37 37 A L H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.920 109.7 50.9 -61.8 -40.8 5.1 9.2 17.1 38 38 A R H X S+ 0 0 81 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.847 104.2 56.7 -65.7 -34.3 4.2 8.0 13.6 39 39 A L H X S+ 0 0 1 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.903 107.2 49.1 -63.2 -40.2 4.9 11.5 12.2 40 40 A H H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.909 110.6 50.8 -64.2 -43.3 8.4 11.4 13.6 41 41 A F H X S+ 0 0 44 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.954 112.3 45.8 -59.1 -51.0 8.9 7.9 12.1 42 42 A H H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.701 112.2 53.0 -68.5 -17.0 7.7 9.1 8.7 43 43 A D H >< S+ 0 0 0 -4,-1.2 3,-1.6 -5,-0.2 7,-0.3 0.953 110.2 46.0 -78.4 -52.7 9.9 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 0.766 105.2 59.8 -60.2 -31.5 13.1 10.3 9.7 45 45 A F T 3< S+ 0 0 1 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.3 0.434 99.6 63.4 -80.1 2.0 12.6 7.7 6.9 46 46 A V T <4 S- 0 0 0 -3,-1.6 4,-0.3 2,-0.3 6,-0.2 -0.871 134.6 -34.2-131.7 100.2 12.6 10.4 4.2 47 47 A N T 4 S- 0 0 66 -2,-0.4 -2,-0.1 86,-0.1 -3,-0.1 0.657 113.8 -74.6 62.9 19.1 15.9 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 -0.171 78.1 -40.4 87.8 174.8 16.3 12.0 7.7 49 49 A b S S+ 0 0 0 238,-1.2 241,-0.3 235,-0.3 -5,-0.2 -0.577 85.8 128.6 -80.2 85.1 14.5 13.7 10.6 50 50 A D S S- 0 0 1 -2,-1.9 76,-2.7 -4,-0.3 48,-0.2 0.077 79.8-109.1-126.1 17.3 14.5 17.2 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.1 47,-0.2 4,-0.5 0.694 75.1 138.7 59.4 20.3 10.8 18.1 9.4 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.2 1,-0.3 12,-0.4 0.857 63.8 62.2 -63.0 -32.2 10.4 17.7 5.6 53 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -7,-0.1 12,-0.1 0.722 94.8 61.9 -65.7 -21.9 7.1 15.9 6.2 54 54 A L G < S+ 0 0 5 -3,-1.1 -1,-0.2 10,-0.1 -2,-0.2 0.680 80.5 104.8 -80.2 -16.7 5.6 19.0 7.8 55 55 A L < - 0 0 0 -3,-1.2 10,-0.4 -4,-0.5 9,-0.4 -0.394 62.3-141.9 -69.1 138.4 6.0 21.1 4.7 56 56 A D - 0 0 48 246,-2.6 73,-0.1 1,-0.2 -1,-0.1 -0.431 38.6 -66.2 -90.9 171.9 2.9 21.9 2.6 57 57 A N + 0 0 79 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.149 48.9 178.5 -58.0 148.6 2.6 22.1 -1.2 58 58 A T - 0 0 54 3,-1.8 3,-0.1 -3,-0.1 5,-0.1 -0.894 44.2-105.8-141.1 166.9 4.4 24.8 -3.3 59 59 A T S S+ 0 0 148 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.676 119.3 47.8 -73.1 -12.7 4.5 25.2 -7.0 60 60 A S S S+ 0 0 103 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.720 120.6 20.3 -98.5 -26.3 8.1 23.9 -7.1 61 61 A F S S- 0 0 34 -3,-0.1 -3,-1.8 69,-0.0 -1,-0.3 -0.999 73.3-121.8-146.1 145.3 7.8 20.7 -4.9 62 62 A R - 0 0 113 -2,-0.3 69,-0.5 -5,-0.2 2,-0.2 -0.515 33.5-107.0 -83.8 152.7 5.0 18.4 -3.8 63 63 A T > - 0 0 6 -2,-0.2 3,-1.5 1,-0.1 -7,-0.1 -0.520 13.1-134.3 -78.9 144.3 4.2 17.8 -0.2 64 64 A E G > S+ 0 0 0 -12,-0.4 3,-1.9 -9,-0.4 6,-0.2 0.627 97.8 84.0 -70.2 -11.5 5.0 14.4 1.4 65 65 A K G 3 S+ 0 0 32 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.694 85.9 55.5 -65.1 -17.0 1.5 14.5 2.8 66 66 A D G < S+ 0 0 97 -3,-1.5 -1,-0.3 5,-0.1 -2,-0.1 0.206 81.6 119.8 -99.9 14.7 0.3 13.1 -0.5 67 67 A A S X> S- 0 0 0 -3,-1.9 4,-3.3 1,-0.1 3,-1.3 -0.416 79.1-111.7 -75.1 155.6 2.6 10.1 -0.3 68 68 A F T 34 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.820 119.6 48.5 -58.8 -30.1 0.9 6.7 -0.3 69 69 A G T 34 S+ 0 0 21 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.600 122.0 32.5 -86.4 -11.3 2.1 6.1 3.2 70 70 A N T X> S+ 0 0 3 -3,-1.3 4,-2.6 -6,-0.2 3,-1.6 0.748 87.7 103.6-111.4 -38.1 0.8 9.5 4.4 71 71 A A T 3< S- 0 0 41 -4,-3.3 -5,-0.1 1,-0.3 -6,-0.0 -0.233 102.9 -5.8 -54.3 130.2 -2.3 10.4 2.4 72 72 A N T 34 S+ 0 0 119 -7,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.864 136.3 61.5 51.4 40.2 -5.5 9.9 4.4 73 73 A S T <4 S+ 0 0 20 -3,-1.6 -2,-0.2 1,-0.4 -1,-0.1 0.318 75.2 79.5-153.0 -60.2 -3.4 8.4 7.2 74 74 A A < + 0 0 20 -4,-2.6 -1,-0.4 -9,-0.2 2,-0.3 -0.380 60.6 164.7 -63.3 140.5 -0.9 10.8 8.7 75 75 A R + 0 0 76 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.0 -0.942 33.8 72.6-152.2 170.9 -2.4 13.2 11.2 76 76 A G >> + 0 0 10 -2,-0.3 4,-1.6 -37,-0.0 3,-0.7 0.436 51.6 134.1 99.3 2.3 -1.8 15.6 14.0 77 77 A F H 3> S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.859 71.4 51.9 -53.6 -41.8 -0.3 18.4 11.9 78 78 A P H 3> S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.837 106.2 55.6 -66.1 -30.0 -2.3 21.2 13.6 79 79 A V H <> S+ 0 0 5 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.874 106.1 50.5 -68.3 -36.8 -1.2 19.9 17.0 80 80 A I H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.902 108.7 52.8 -66.9 -38.6 2.4 20.3 15.9 81 81 A D H X S+ 0 0 43 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.902 107.9 52.4 -61.1 -41.2 1.6 23.9 14.8 82 82 A R H X S+ 0 0 109 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.934 112.2 42.1 -62.6 -49.3 0.1 24.6 18.2 83 83 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.870 112.5 55.4 -68.3 -33.6 3.2 23.5 20.2 84 84 A K H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.935 108.3 47.9 -62.4 -45.3 5.5 25.2 17.7 85 85 A A H X S+ 0 0 60 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.885 112.2 49.9 -61.8 -39.9 3.7 28.5 18.2 86 86 A A H X S+ 0 0 38 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.892 112.8 45.7 -66.4 -41.3 3.9 28.0 22.0 87 87 A V H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 -2,-0.2 0.869 110.2 54.4 -70.3 -36.0 7.6 27.3 21.8 88 88 A E H < S+ 0 0 29 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.847 108.8 49.7 -65.0 -32.9 8.2 30.2 19.5 89 89 A S H < S+ 0 0 101 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.914 117.1 39.6 -70.7 -43.2 6.5 32.4 22.1 90 90 A A H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.874 137.3 14.1 -73.3 -39.6 8.7 31.1 24.9 91 91 A a S >X S- 0 0 15 -4,-3.5 3,-1.1 -5,-0.1 4,-0.6 -0.684 84.2-142.9-141.8 84.1 11.9 31.0 22.8 92 92 A P T 34 S- 0 0 64 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.128 76.5 -10.6 -50.2 133.8 11.8 32.9 19.5 93 93 A R T 34 S+ 0 0 169 1,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.797 109.1 102.9 44.3 44.6 13.6 31.4 16.5 94 94 A T T <4 + 0 0 33 -3,-1.1 2,-0.5 1,-0.2 -1,-0.1 0.782 58.6 59.8-118.0 -51.1 15.3 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 -0.765 73.8-136.1 -92.6 122.8 13.8 25.2 18.4 96 96 A S > - 0 0 0 -2,-0.5 4,-2.5 27,-0.3 5,-0.1 -0.307 17.8-122.0 -70.3 157.2 13.7 23.6 14.9 97 97 A c H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.868 114.0 58.0 -67.0 -34.5 10.6 21.8 13.7 98 98 A A H > S+ 0 0 0 2,-0.2 4,-1.2 -48,-0.2 -1,-0.2 0.914 111.4 40.1 -60.7 -44.7 12.7 18.7 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.6 2,-0.2 5,-0.3 0.894 112.6 56.5 -71.0 -41.2 13.8 18.8 17.0 100 100 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 108.4 46.7 -56.2 -46.9 10.3 19.8 18.1 101 101 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.821 110.6 53.4 -66.5 -31.4 8.8 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 0.929 111.4 44.5 -69.0 -45.5 11.5 14.5 17.9 103 103 A I H X S+ 0 0 5 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.904 111.5 54.6 -64.5 -40.5 10.7 15.7 21.4 104 104 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.877 107.4 50.6 -60.6 -38.4 7.0 15.4 20.7 105 105 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.932 112.8 45.1 -65.8 -46.3 7.5 11.7 19.7 106 106 A Q H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.938 114.6 47.8 -63.7 -46.4 9.4 10.9 22.9 107 107 A Q H X S+ 0 0 22 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.873 109.5 54.7 -62.7 -36.6 6.9 12.8 25.1 108 108 A S H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.924 109.0 47.3 -62.0 -45.2 4.1 11.0 23.4 109 109 A V H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 120,-0.2 0.934 114.5 46.8 -61.6 -46.2 5.6 7.6 24.1 110 110 A T H ><5S+ 0 0 36 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.919 109.5 52.9 -62.7 -45.4 6.2 8.6 27.8 111 111 A L H 3<5S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.1 56.5 -60.7 -30.2 2.7 10.0 28.2 112 112 A A T 3<5S- 0 0 16 -4,-1.5 117,-2.7 -5,-0.2 -1,-0.3 0.369 133.0 -90.2 -83.2 4.5 1.3 6.7 26.9 113 113 A G T < 5S+ 0 0 47 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.475 87.4 127.2 101.8 4.1 3.1 4.8 29.7 114 114 A G < - 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0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.919 64.4-170.3-117.2 106.9 -2.9 -3.9 19.9 223 223 A L S S+ 0 0 68 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.701 86.3 53.7 -69.0 -17.7 -6.0 -5.8 21.0 224 224 A R S S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.1 -53,-0.0 0.966 130.5 2.8 -80.8 -58.6 -4.6 -6.1 24.5 225 225 A T > - 0 0 27 -54,-0.2 3,-0.9 3,-0.1 -1,-0.2 -0.708 69.5-174.4-132.8 82.3 -3.9 -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 0.682 83.9 23.0 -45.9 -32.8 -5.0 -0.3 22.5 227 227 A T T 3 S+ 0 0 89 -55,-0.2 2,-0.4 -7,-0.1 -55,-0.1 0.385 100.7 95.2-122.6 3.2 -3.7 3.0 23.9 228 228 A I < - 0 0 79 -3,-0.9 2,-1.1 -57,-0.3 -115,-0.2 -0.825 69.9-131.5-101.3 133.3 -1.0 2.0 26.3 229 229 A F + 0 0 1 -117,-2.7 2,-0.2 -2,-0.4 -57,-0.1 -0.715 60.0 118.4 -83.9 102.9 2.7 1.9 25.3 230 230 A D S > S- 0 0 23 -2,-1.1 3,-0.6 -62,-0.2 -116,-0.1 -0.843 77.4 -88.3-150.0-175.5 3.8 -1.4 26.5 231 231 A N T >> S+ 0 0 10 -2,-0.2 3,-1.3 1,-0.2 4,-1.0 0.308 89.2 105.6 -88.8 10.6 5.2 -4.8 25.3 232 232 A K H 3> + 0 0 81 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.793 66.3 73.6 -59.8 -28.0 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 0.886 99.2 45.1 -51.8 -41.1 2.4 -5.9 21.0 234 234 A Y H <> S+ 0 0 0 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.828 106.2 57.1 -75.7 -33.0 5.0 -8.8 21.1 235 235 A V H X S+ 0 0 29 -4,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.908 106.7 53.0 -63.5 -37.6 2.8 -11.1 23.2 236 236 A N H ><>S+ 0 0 2 -4,-2.3 5,-3.0 1,-0.2 3,-1.1 0.925 105.2 52.9 -61.7 -46.0 0.2 -10.7 20.4 237 237 A L H ><5S+ 0 0 0 -4,-1.5 3,-2.0 4,-0.3 5,-0.2 0.889 103.1 57.7 -57.5 -40.5 2.7 -11.7 17.7 238 238 A E H 3<5S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.746 109.6 45.7 -62.1 -23.6 3.6 -14.9 19.7 239 239 A E T <<5S- 0 0 75 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.174 121.7-107.3-103.8 15.4 -0.1 -15.8 19.5 240 240 A Q T < 5S+ 0 0 76 -3,-2.0 -42,-2.9 -43,-0.1 -3,-0.2 0.824 85.7 124.5 61.7 34.5 -0.3 -15.0 15.8 241 241 A K < + 0 0 29 -5,-3.0 -18,-0.3 -44,-0.2 -4,-0.3 0.051 21.3 134.7-111.8 23.2 -2.3 -11.9 16.6 242 242 A G - 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0 0 38 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 -0.953 51.5-163.4-140.4 121.7 10.6 -8.4 29.5 270 270 A T H > S+ 0 0 64 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.902 99.3 54.0 -62.5 -40.7 9.2 -4.9 29.5 271 271 A Q H > S+ 0 0 142 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 106.9 50.0 -60.9 -44.0 12.6 -3.6 30.5 272 272 A T H > S+ 0 0 58 -7,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.925 115.0 44.6 -61.8 -43.6 14.3 -5.4 27.6 273 273 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 -7,-0.3 -2,-0.2 0.962 113.2 48.5 -65.5 -52.5 11.8 -3.9 25.2 274 274 A F H X S+ 0 0 35 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.899 112.3 49.7 -56.1 -42.2 11.9 -0.4 26.6 275 275 A N H X S+ 0 0 102 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.931 113.8 45.5 -62.3 -44.6 15.7 -0.4 26.6 276 276 A A H X S+ 0 0 19 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.842 111.1 53.5 -67.5 -34.9 15.7 -1.6 23.0 277 277 A F H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.919 109.8 46.5 -67.5 -44.4 13.0 0.9 21.9 278 278 A V H X S+ 0 0 29 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.936 114.3 48.8 -62.9 -44.8 15.0 3.9 23.3 279 279 A E H X S+ 0 0 109 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.933 115.6 42.8 -60.0 -47.7 18.1 2.7 21.7 280 280 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.872 111.7 55.1 -67.9 -37.7 16.4 2.2 18.3 281 281 A M H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.911 109.1 46.9 -62.3 -42.7 14.5 5.5 18.6 282 282 A D H < S+ 0 0 46 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.854 111.2 52.0 -69.3 -32.7 17.7 7.4 19.1 283 283 A R H >< S+ 0 0 67 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.930 112.0 45.7 -67.9 -42.7 19.3 5.6 16.2 284 284 A M H >< S+ 0 0 3 -4,-2.6 3,-1.6 1,-0.3 -235,-0.3 0.895 109.4 55.6 -65.5 -38.7 16.4 6.5 13.9 285 285 A G T 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.594 101.7 60.1 -69.8 -7.9 16.5 10.1 15.2 286 286 A N T < S+ 0 0 90 -3,-1.0 2,-0.5 -4,-0.4 -1,-0.3 0.266 73.7 128.9-102.0 9.0 20.1 10.2 14.1 287 287 A I S < S- 0 0 14 -3,-1.6 -238,-1.2 1,-0.2 -131,-0.1 -0.566 89.1 -42.5 -73.4 120.4 19.4 9.5 10.5 288 288 A T S S- 0 0 90 -2,-0.5 -1,-0.2 -240,-0.2 2,-0.1 0.727 80.0-174.2 24.7 61.7 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 -0.418 26.1-125.4 -78.7 152.7 20.3 15.2 10.2 290 290 A L B +B 124 0B 44 -166,-0.5 -166,-1.7 -241,-0.3 2,-0.3 -0.839 44.3 171.7 -92.2 134.9 21.0 18.7 9.1 291 291 A T > + 0 0 43 -2,-0.5 3,-2.4 -168,-0.2 2,-0.6 -0.837 36.2 14.5-138.5 176.4 23.2 20.4 11.8 292 292 A G T 3 S- 0 0 60 -170,-0.4 -2,-0.1 1,-0.3 -170,-0.0 -0.436 131.8 -17.1 63.5-110.0 25.2 23.5 12.6 293 293 A T T 3 S+ 0 0 135 -2,-0.6 -1,-0.3 -169,-0.0 2,-0.2 0.332 107.2 115.5-110.0 3.3 24.4 26.1 10.0 294 294 A Q S < S- 0 0 97 -3,-2.4 -169,-0.1 2,-0.1 -4,-0.1 -0.510 80.4 -10.4 -74.1 139.7 22.8 23.6 7.5 295 295 A G S S- 0 0 21 -2,-0.2 2,-0.2 -171,-0.1 -169,-0.2 -0.210 91.3 -87.7 66.5-162.9 19.1 24.2 6.9 296 296 A Q B -C 125 0C 38 -171,-1.8 -171,-3.2 -170,-0.1 2,-0.9 -0.772 21.1-104.0-137.5-179.8 17.1 26.6 9.0 297 297 A I - 0 0 26 -2,-0.2 2,-0.1 -173,-0.2 -201,-0.1 -0.916 49.5-143.0-106.7 94.3 15.1 27.0 12.2 298 298 A R - 0 0 0 -2,-0.9 3,-0.2 1,-0.1 6,-0.1 -0.409 14.9-162.2 -63.5 134.0 11.7 27.1 10.5 299 299 A L S S+ 0 0 83 1,-0.3 2,-0.5 4,-0.2 -1,-0.1 0.819 87.2 33.2 -85.8 -36.3 9.3 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 -0.986 79.7-148.2-120.0 112.0 6.2 28.1 10.5 301 301 A c T 3 S+ 0 0 1 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.680 94.0 60.8 -58.0 -16.2 6.7 24.3 10.2 302 302 A R T 3 S+ 0 0 60 -247,-0.2 -246,-2.6 1,-0.1 2,-0.3 0.683 108.0 38.4 -84.8 -19.4 4.5 24.3 7.0 303 303 A V B < S-E 300 0E 71 -3,-1.8 -3,-0.5 -248,-0.2 -4,-0.2 -0.969 81.1-111.7-136.4 150.3 6.7 26.7 5.0 304 304 A V - 0 0 43 -2,-0.3 -177,-0.1 1,-0.1 2,-0.1 -0.485 48.3 -98.7 -73.7 145.8 10.4 27.4 4.4 305 305 A N 0 0 51 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.393 360.0 360.0 -65.6 144.6 11.6 30.7 5.8 306 306 A S 0 0 173 -3,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.709 360.0 360.0-121.3 360.0 11.8 33.5 3.1