==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-FEB-99 1B82 . COMPND 2 MOLECULE: PROTEIN (LIGNIN PEROXIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR W.BLODIG,W.A.DOYLE,A.T.SMITH,K.PIONTEK . 694 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 57.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 4.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.1 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 . 26 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 4 4 3 2 1 0 0 2 2 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 5 8 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 . 8 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 -4 A V 0 0 99 0, 0.0 2,-0.7 0, 0.0 286,-0.1 0.000 360.0 360.0 360.0 123.4 32.5 19.0 50.1 2 -3 A I - 0 0 116 679,-0.1 2,-0.3 656,-0.0 681,-0.2 -0.720 360.0-164.2 -85.6 113.9 34.0 21.2 47.4 3 -2 A E - 0 0 79 -2,-0.7 2,-0.6 13,-0.1 13,-0.2 -0.778 9.5-154.3 -98.7 145.3 34.0 24.8 48.7 4 -1 A K - 0 0 98 -2,-0.3 13,-1.1 2,-0.0 10,-0.1 -0.884 16.6-138.8-122.5 96.2 34.5 27.8 46.5 5 0 A R + 0 0 202 -2,-0.6 2,-0.3 11,-0.2 10,-0.2 -0.273 36.7 173.4 -53.2 135.9 36.0 30.8 48.4 6 1 A A E -A 14 0A 24 8,-2.5 8,-2.8 10,-0.1 2,-0.5 -0.987 39.6-122.8-152.3 159.6 34.3 33.9 47.2 7 2 A T E -A 13 0A 96 -2,-0.3 6,-0.3 6,-0.2 2,-0.1 -0.875 35.7-141.8-104.4 121.5 33.7 37.6 47.6 8 3 A a > - 0 0 7 4,-3.3 3,-3.0 -2,-0.5 4,-0.0 -0.409 28.9 -99.7 -79.0 167.9 30.1 38.5 48.1 9 4 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.808 123.5 61.5 -58.3 -25.2 28.3 41.5 46.7 10 5 A N T 3 S- 0 0 73 2,-0.1 -1,-0.3 10,-0.1 3,-0.1 0.466 121.5-107.9 -79.0 -2.5 28.7 43.3 50.0 11 6 A G S < S+ 0 0 49 -3,-3.0 2,-0.4 1,-0.3 -2,-0.1 0.479 78.5 127.7 92.8 4.6 32.5 43.0 49.6 12 7 A K - 0 0 118 8,-0.1 -4,-3.3 -4,-0.0 2,-0.3 -0.756 54.2-133.6 -98.1 141.4 33.1 40.3 52.2 13 8 A T E -A 7 0A 50 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.2 -0.688 26.2-177.8 -91.8 138.1 35.0 37.1 51.5 14 9 A V E -A 6 0A 0 -8,-2.8 -8,-2.5 -2,-0.3 276,-0.1 -0.904 38.9-110.5-129.0 166.1 33.4 33.8 52.7 15 10 A G S S+ 0 0 20 274,-0.4 2,-0.3 -2,-0.3 275,-0.1 0.681 102.2 23.6 -71.3 -24.1 34.6 30.2 52.5 16 11 A D S > S- 0 0 21 -13,-0.2 3,-2.1 273,-0.1 4,-0.4 -0.996 72.6-128.9-146.0 139.8 31.9 29.2 50.0 17 12 A A G > S+ 0 0 42 -13,-1.1 3,-1.0 -2,-0.3 4,-0.3 0.754 106.2 67.0 -55.3 -34.4 29.9 31.2 47.5 18 13 A S G > S+ 0 0 60 1,-0.2 3,-0.6 2,-0.1 4,-0.3 0.704 89.3 68.1 -62.3 -18.4 26.6 29.7 48.8 19 14 A b G X> S+ 0 0 0 -3,-2.1 3,-1.3 1,-0.2 4,-0.5 0.749 78.7 79.4 -71.9 -24.8 27.2 31.5 52.1 20 15 A a G X4 S+ 0 0 33 -3,-1.0 3,-1.5 -4,-0.4 4,-0.4 0.843 84.4 60.7 -53.8 -35.8 26.7 35.0 50.5 21 16 A A G X> S+ 0 0 55 -3,-0.6 4,-1.4 -4,-0.3 3,-1.3 0.800 91.9 67.6 -64.3 -30.5 22.9 34.6 50.6 22 17 A W H <> S+ 0 0 17 -3,-1.3 4,-2.8 -4,-0.3 -1,-0.3 0.733 85.4 70.6 -66.8 -16.7 23.0 34.3 54.4 23 18 A F H S+ 0 0 97 -3,-1.3 4,-2.1 -4,-0.4 -2,-0.2 0.893 111.4 51.0 -74.6 -39.5 20.5 39.0 53.5 25 20 A V H X S+ 0 0 2 -4,-1.4 4,-3.0 1,-0.2 5,-0.3 0.956 110.5 51.4 -57.7 -46.9 19.1 36.5 56.1 26 21 A L H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.920 109.7 46.2 -54.0 -53.4 21.4 38.2 58.7 27 22 A D H X S+ 0 0 96 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.921 114.2 50.1 -62.7 -37.8 20.3 41.8 57.9 28 23 A D H X S+ 0 0 10 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.956 114.2 41.5 -64.8 -55.3 16.7 40.7 57.9 29 24 A I H X>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 4,-2.6 0.870 111.1 57.1 -66.8 -31.1 16.7 38.9 61.3 30 25 A Q H <5S+ 0 0 33 -4,-2.5 6,-2.6 -5,-0.3 7,-1.9 0.910 119.2 30.6 -62.9 -43.7 18.9 41.5 63.0 31 26 A Q H <5S+ 0 0 118 -4,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.904 132.7 30.7 -81.1 -41.9 16.4 44.2 62.2 32 27 A N H <5S+ 0 0 91 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.513 129.9 27.4-101.2 -11.2 13.1 42.3 62.3 33 28 A L T <5S+ 0 0 5 -4,-2.6 -3,-0.2 -5,-0.3 9,-0.2 0.669 129.3 34.3-114.7 -42.7 13.7 39.4 64.7 34 29 A F S > S- 0 0 17 -2,-0.7 4,-2.5 -6,-0.1 5,-0.2 -0.152 81.4 -51.9-107.3-156.6 17.0 40.3 74.5 41 36 A A H > S+ 0 0 12 303,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 131.2 48.3 -55.5 -48.9 14.0 37.9 74.6 42 37 A E H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 112.5 50.1 -64.4 -33.9 14.0 36.7 71.0 43 38 A A H > S+ 0 0 1 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 111.7 48.5 -62.7 -48.3 17.7 36.1 71.0 44 39 A H H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.941 111.8 48.8 -57.0 -48.4 17.4 34.1 74.2 45 40 A E H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.906 109.3 53.5 -59.4 -40.1 14.5 32.0 72.8 46 41 A S H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 72,-0.2 0.870 108.0 49.4 -64.9 -36.9 16.5 31.4 69.6 47 42 A I H X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 3,-0.3 0.932 111.9 48.7 -66.4 -45.8 19.4 30.0 71.6 48 43 A R H X S+ 0 0 81 -4,-2.3 4,-1.8 -5,-0.2 3,-0.4 0.921 105.3 59.5 -58.4 -42.0 17.1 27.8 73.5 49 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.876 96.5 61.4 -57.1 -37.5 15.5 26.6 70.3 50 45 A V H X S+ 0 0 4 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.2 0.930 107.1 44.4 -55.0 -48.8 18.8 25.3 69.0 51 46 A F H X S+ 0 0 48 -4,-1.2 4,-2.6 -3,-0.4 5,-0.2 0.925 113.1 49.1 -68.2 -38.8 19.0 22.8 71.9 52 47 A H H < S+ 0 0 14 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.772 115.3 45.3 -71.9 -26.2 15.4 21.7 71.7 53 48 A D H >< S+ 0 0 2 -4,-2.4 3,-0.5 -5,-0.2 20,-0.3 0.947 121.0 38.2 -75.9 -50.7 15.7 21.1 67.9 54 49 A S H 3< S+ 0 0 3 -4,-2.7 18,-0.2 -5,-0.3 -2,-0.2 0.802 105.8 57.2 -74.1 -38.8 19.1 19.3 68.2 55 50 A I T 3< S+ 0 0 0 -4,-2.6 2,-2.0 -5,-0.2 -1,-0.2 0.645 79.5 97.3 -73.3 -10.6 19.1 17.1 71.3 56 51 A A < + 0 0 2 -3,-0.5 15,-1.7 -4,-0.3 2,-0.3 -0.520 59.9 102.6 -79.7 74.2 16.0 15.2 70.1 57 52 A I - 0 0 27 -2,-2.0 12,-0.2 13,-0.2 13,-0.1 -0.952 46.8-173.2-154.3 138.6 18.0 12.3 68.6 58 53 A S > - 0 0 4 11,-0.4 4,-2.3 -2,-0.3 3,-0.4 -0.679 20.2-178.1-149.3 96.4 18.4 8.9 70.1 59 54 A P H > S+ 0 0 67 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.870 92.5 61.4 -55.4 -38.7 20.7 6.1 68.9 60 55 A A H > S+ 0 0 45 2,-0.2 4,-0.7 1,-0.2 6,-0.1 0.929 106.7 44.3 -55.3 -46.8 19.3 4.0 71.8 61 56 A M H >4>S+ 0 0 49 -3,-0.4 5,-2.0 2,-0.2 3,-1.8 0.958 110.9 53.3 -64.6 -47.2 15.8 4.3 70.3 62 57 A E H ><5S+ 0 0 88 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.916 105.5 55.7 -53.9 -40.1 17.1 3.6 66.7 63 58 A A H 3<5S+ 0 0 92 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.710 104.3 54.2 -64.5 -20.6 18.8 0.4 68.1 64 59 A Q T <<5S- 0 0 140 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.304 125.1-100.8 -93.9 3.4 15.3 -0.7 69.4 65 60 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.624 86.8 116.8 87.5 13.2 13.7 -0.3 66.0 66 61 A K S > S+ 0 0 0 36,-0.3 4,-2.4 37,-0.2 3,-1.6 0.581 72.7 138.9 71.6 18.1 14.6 21.7 61.9 75 70 A S H 3> + 0 0 1 -4,-0.4 4,-3.2 1,-0.3 8,-0.2 0.895 62.3 62.6 -62.4 -37.9 11.8 19.3 63.0 76 71 A I H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 8,-0.2 0.788 112.8 37.0 -60.4 -22.4 10.7 21.5 65.9 77 72 A M H X4 S+ 0 0 5 -3,-1.6 3,-1.3 2,-0.1 -2,-0.2 0.886 118.9 47.0 -92.5 -47.4 9.7 24.1 63.3 78 73 A I H 3< S+ 0 0 59 -4,-2.4 3,-0.2 1,-0.3 -2,-0.2 0.926 127.6 27.9 -60.6 -51.3 8.4 21.8 60.6 79 74 A F T >X S+ 0 0 48 -4,-3.2 4,-2.2 -5,-0.2 3,-1.1 -0.299 80.6 142.2-100.9 46.8 6.3 19.7 63.0 80 75 A D H <> + 0 0 16 -3,-1.3 4,-2.1 1,-0.3 5,-0.2 0.891 66.0 60.9 -59.2 -37.3 5.8 22.6 65.5 81 76 A D H 34 S+ 0 0 118 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.1 0.861 116.1 34.0 -60.1 -32.6 2.2 21.6 66.2 82 77 A I H X4 S+ 0 0 70 -3,-1.1 3,-1.6 2,-0.1 4,-0.4 0.948 123.7 38.3 -81.9 -65.7 3.5 18.2 67.4 83 78 A E H >< S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.3 6,-0.2 0.849 110.0 57.9 -60.1 -39.1 6.9 19.0 69.1 84 79 A T T 3< S+ 0 0 20 -4,-2.1 9,-0.3 -5,-0.4 7,-0.3 0.553 99.1 62.4 -73.1 -2.3 6.0 22.3 70.7 85 80 A A T < S+ 0 0 81 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.511 78.6 104.4 -93.2 -11.7 3.2 20.5 72.6 86 81 A F S X S- 0 0 33 -3,-1.6 3,-1.3 -4,-0.4 4,-0.0 -0.543 81.5-124.8 -69.5 139.3 5.7 18.3 74.4 87 82 A H G > S+ 0 0 94 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.904 108.1 56.7 -59.6 -41.9 6.1 19.5 78.0 88 83 A P G 3 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.725 106.9 53.1 -57.5 -22.8 9.9 20.0 77.8 89 84 A N G X S+ 0 0 1 -3,-1.3 3,-2.3 -6,-0.2 4,-0.3 0.266 79.0 151.4 -99.6 15.1 9.3 22.4 74.8 90 85 A I T < + 0 0 70 -3,-2.3 98,-0.1 1,-0.3 -5,-0.1 -0.103 67.4 12.7 -49.0 137.8 6.8 24.5 76.6 91 86 A G T 3> S+ 0 0 19 -7,-0.3 4,-0.5 257,-0.1 3,-0.5 0.366 94.1 108.7 78.5 0.7 6.7 28.1 75.4 92 87 A L H <> + 0 0 1 -3,-2.3 4,-2.3 -8,-0.2 5,-0.2 0.639 58.3 76.1 -87.7 -7.1 8.8 27.4 72.2 93 88 A D H > S+ 0 0 41 -9,-0.3 4,-2.7 -4,-0.3 5,-0.2 0.883 88.8 61.9 -71.2 -27.9 5.9 27.8 69.7 94 89 A E H > S+ 0 0 15 -3,-0.5 4,-1.5 254,-0.3 -1,-0.2 0.958 109.3 38.1 -58.0 -53.1 6.1 31.6 70.2 95 90 A I H X S+ 0 0 0 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.882 113.1 57.5 -71.1 -34.6 9.7 31.7 68.8 96 91 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.952 108.3 47.1 -59.2 -43.1 9.0 29.1 66.2 97 92 A K H < S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.827 111.1 50.4 -67.3 -31.2 6.1 31.3 64.8 98 93 A L H < S+ 0 0 67 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.836 116.2 43.5 -74.9 -28.7 8.3 34.4 64.8 99 94 A Q H >X S+ 0 0 0 -4,-2.0 4,-1.1 -3,-0.2 3,-1.1 0.837 95.0 77.9 -83.0 -36.7 11.0 32.5 62.9 100 95 A K H >X S+ 0 0 53 -4,-2.7 4,-2.0 1,-0.3 3,-0.6 0.809 88.5 55.0 -40.5 -52.2 8.8 30.7 60.4 101 96 A P H 3> S+ 0 0 68 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.870 104.6 54.4 -56.1 -40.2 8.3 33.6 58.0 102 97 A F H <> S+ 0 0 19 -3,-1.1 4,-1.7 -4,-0.3 6,-0.2 0.858 106.9 51.7 -62.7 -37.8 12.0 34.2 57.6 103 98 A V H S+ 0 0 12 -4,-1.1 4,-1.4 -3,-0.6 5,-1.0 0.978 113.6 42.6 -63.0 -56.1 12.6 30.6 56.6 104 99 A Q H <5S+ 0 0 146 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.882 114.4 51.0 -58.2 -43.4 9.9 30.7 53.9 105 100 A K H <5S+ 0 0 143 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 118.1 35.9 -63.6 -39.8 10.9 34.2 52.6 106 101 A H H <5S- 0 0 50 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.542 100.2-128.7 -93.4 -11.4 14.6 33.3 52.2 107 102 A G T <5 + 0 0 69 -4,-1.4 2,-0.2 -3,-0.3 -3,-0.2 0.783 57.9 139.8 69.3 31.7 14.3 29.7 51.0 108 103 A V < - 0 0 25 -5,-1.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.611 60.2 -93.3 -99.1 163.5 16.7 28.2 53.6 109 104 A T > - 0 0 38 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.443 29.5-123.2 -77.6 153.7 16.1 24.9 55.4 110 105 A P H > S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 -36,-0.3 0.926 110.9 51.1 -61.7 -44.3 14.4 25.1 58.8 111 106 A G H > S+ 0 0 1 -38,-0.5 4,-2.0 26,-0.3 -37,-0.2 0.867 111.2 46.4 -60.7 -46.0 17.3 23.3 60.5 112 107 A D H > S+ 0 0 11 25,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.870 111.4 53.3 -66.3 -36.0 20.0 25.6 59.0 113 108 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.910 107.1 50.6 -64.3 -42.0 17.9 28.7 59.9 114 109 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.939 112.8 46.5 -61.9 -44.8 17.6 27.6 63.6 115 110 A A H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.887 113.7 49.3 -62.9 -39.1 21.3 27.1 63.8 116 111 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.955 111.2 47.5 -65.3 -47.5 22.0 30.5 62.1 117 112 A A H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.910 110.5 53.3 -62.8 -39.4 19.6 32.4 64.4 118 113 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.906 111.8 45.3 -60.3 -45.1 21.1 30.8 67.5 119 114 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.944 115.6 46.0 -66.6 -42.3 24.6 31.9 66.4 120 115 A V H X S+ 0 0 0 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.929 109.7 55.0 -65.7 -44.3 23.5 35.4 65.5 121 116 A A H >< S+ 0 0 0 -4,-3.2 3,-1.1 -5,-0.3 4,-0.4 0.944 110.0 46.4 -50.9 -51.0 21.5 35.7 68.7 122 117 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 6,-0.3 0.921 103.9 61.4 -62.6 -38.0 24.7 34.8 70.7 123 118 A S H 3< S+ 0 0 7 -4,-2.2 175,-0.6 1,-0.3 -1,-0.3 0.779 98.8 59.6 -62.4 -19.4 26.8 37.2 68.7 124 119 A N T << S+ 0 0 23 -3,-1.1 -85,-0.4 -4,-1.1 -1,-0.3 0.631 88.9 83.9 -81.6 -12.7 24.6 40.0 70.0 125 120 A c S X S- 0 0 0 -3,-1.9 3,-2.1 -4,-0.4 79,-0.2 -0.807 88.4-117.0 -95.7 117.3 25.4 39.3 73.7 126 121 A P T 3 S+ 0 0 22 0, 0.0 79,-2.7 0, 0.0 174,-0.2 -0.221 99.2 27.6 -51.9 136.6 28.6 40.9 74.9 127 122 A G T 3 S+ 0 0 6 171,-3.3 173,-0.1 1,-0.3 77,-0.1 0.245 86.9 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148 143 A L + 0 0 4 -3,-0.3 -91,-0.2 2,-0.1 -2,-0.1 0.643 62.9 71.4-104.6 -22.6 14.1 13.4 74.6 149 144 A V S S- 0 0 8 -93,-0.1 -2,-0.2 1,-0.0 -1,-0.1 -0.864 86.8-115.7-101.0 125.2 14.5 16.9 75.9 150 145 A P - 0 0 26 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.224 23.4-142.4 -60.1 147.0 15.5 17.2 79.6 151 146 A E > - 0 0 18 4,-0.1 3,-1.7 1,-0.1 77,-0.1 -0.795 22.5-116.3-105.2 156.3 13.2 18.7 82.1 152 147 A P T 3 S+ 0 0 26 0, 0.0 90,-1.1 0, 0.0 76,-0.1 0.691 116.2 53.6 -65.7 -22.4 14.2 20.9 85.1 153 148 A F T 3 S+ 0 0 58 88,-0.2 2,-0.1 74,-0.1 75,-0.1 0.389 83.3 111.2 -94.6 6.0 12.9 18.2 87.5 154 149 A H S < S- 0 0 46 -3,-1.7 2,-0.0 1,-0.1 5,-0.0 -0.453 73.6-109.1 -75.0 150.9 15.0 15.3 85.9 155 150 A T > - 0 0 67 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.355 25.2-109.4 -74.1 165.4 17.8 13.9 88.1 156 151 A V H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 120.0 53.2 -60.1 -44.3 21.4 14.5 87.3 157 152 A D H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 108.0 50.0 -61.0 -39.1 21.7 10.8 86.2 158 153 A Q H > S+ 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3,-2.3 -3,-0.4 -1,-0.3 0.620 75.5 89.0 -75.3 -5.6 24.5 24.8 80.4 179 174 A S G X S+ 0 0 0 -3,-1.4 3,-2.2 -4,-0.5 -1,-0.3 0.757 71.0 75.3 -58.6 -26.7 26.6 28.1 80.0 180 175 A A G X S+ 0 0 19 -3,-1.5 3,-2.1 1,-0.3 -1,-0.3 0.764 77.9 72.5 -61.8 -18.4 23.7 29.2 77.7 181 176 A H G X S+ 0 0 44 -3,-2.3 3,-0.5 1,-0.3 17,-0.3 0.604 78.3 77.5 -72.3 -3.3 21.7 29.8 80.9 182 177 A S G < S+ 0 0 0 -3,-2.2 22,-0.4 1,-0.2 -1,-0.3 0.691 102.3 37.7 -71.5 -17.0 24.0 32.8 81.4 183 178 A V G < S+ 0 0 2 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 -0.651 106.4 92.4-130.0 70.2 21.8 34.6 78.7 184 179 A A < - 0 0 12 -3,-0.5 14,-1.9 -2,-0.3 15,-0.5 -0.999 48.3-159.4-162.6 153.9 18.4 33.4 79.5 185 180 A A E -C 197 0C 25 -2,-0.3 2,-0.5 12,-0.3 52,-0.0 -0.905 23.3-120.1-141.2 166.9 15.1 33.8 81.4 186 181 A V E +C 196 0C 13 10,-2.2 10,-1.9 -2,-0.3 9,-1.0 -0.941 30.0 165.0-115.9 117.7 12.2 31.6 82.5 187 182 A N S S+ 0 0 21 -2,-0.5 -1,-0.1 7,-0.3 6,-0.1 0.632 73.3 35.0-103.6 -23.0 8.7 32.3 81.3 188 183 A D S S+ 0 0 48 -98,-0.1 6,-0.1 6,-0.1 -97,-0.1 0.327 94.4 75.1-120.3 7.8 6.7 29.2 82.1 189 184 A V S S+ 0 0 37 1,-0.3 38,-0.2 4,-0.1 40,-0.1 0.906 98.8 44.4 -86.9 -46.5 7.9 27.7 85.4 190 185 A D S > S- 0 0 2 3,-0.4 3,-1.4 1,-0.1 -1,-0.3 -0.881 74.2-157.9 -99.2 120.0 6.3 30.2 87.7 191 186 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.652 86.5 59.5 -74.6 -13.7 2.8 30.9 86.5 192 187 A T T 3 S+ 0 0 95 1,-0.2 2,-0.3 31,-0.0 -4,-0.0 0.557 112.2 26.6 -90.2 -14.8 2.6 34.2 88.3 193 188 A V < - 0 0 35 -3,-1.4 -3,-0.4 -6,-0.1 2,-0.4 -0.975 62.6-153.2-152.9 138.2 5.5 35.9 86.5 194 189 A Q S S+ 0 0 68 -2,-0.3 -7,-0.3 1,-0.2 -6,-0.1 -0.884 70.4 34.1-107.7 149.4 7.3 35.6 83.2 195 190 A G + 0 0 0 -9,-1.0 148,-2.4 -2,-0.4 -8,-0.2 0.770 61.0 161.6 92.0 21.9 10.9 36.6 82.4 196 191 A L E -C 186 0C 9 -10,-1.9 -10,-2.2 -3,-0.2 -1,-0.2 -0.718 35.5-131.0 -80.8 126.8 12.8 35.7 85.5 197 192 A P E -C 185 0C 0 0, 0.0 41,-2.1 0, 0.0 -12,-0.3 -0.277 6.2-136.7 -76.7 155.2 16.6 35.4 84.6 198 193 A F S S+ 0 0 12 -14,-1.9 2,-0.3 -17,-0.3 -13,-0.1 0.692 90.8 16.9 -78.1 -25.2 18.9 32.6 85.6 199 194 A D S S- 0 0 0 -15,-0.5 10,-0.1 -17,-0.1 -15,-0.1 -0.920 86.8-102.8-140.5 176.0 21.7 35.0 86.5 200 195 A S S S+ 0 0 34 -2,-0.3 141,-0.2 1,-0.3 3,-0.1 0.474 114.1 51.9 -83.0 0.8 21.9 38.7 87.2 201 196 A T > + 0 0 20 -19,-0.1 3,-2.3 3,-0.1 -1,-0.3 -0.535 58.9 160.1-128.2 67.1 23.4 39.5 83.8 202 197 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.664 78.6 51.8 -69.6 -9.8 20.9 37.9 81.2 203 198 A G T 3 S+ 0 0 28 -3,-0.1 2,-0.5 -20,-0.1 -20,-0.1 0.345 101.7 73.3-103.5 5.7 22.2 40.2 78.5 204 199 A I S < S- 0 0 46 -3,-2.3 2,-1.2 -22,-0.4 -77,-0.2 -0.977 74.9-138.4-124.0 129.3 25.9 39.3 79.1 205 200 A F + 0 0 0 -79,-2.7 2,-0.2 -2,-0.5 -22,-0.1 -0.618 60.9 118.9 -85.1 98.4 27.6 36.0 78.2 206 201 A D S S- 0 0 3 -2,-1.2 3,-0.4 -27,-0.2 4,-0.1 -0.808 77.4 -90.6-146.9-172.4 29.6 35.5 81.4 207 202 A S S > S+ 0 0 0 99,-0.3 4,-1.9 -2,-0.2 3,-0.5 0.190 85.5 108.1 -98.7 18.0 30.0 33.2 84.3 208 203 A Q H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.856 75.8 61.5 -63.7 -30.4 27.6 34.8 86.7 209 204 A F H > S+ 0 0 0 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.912 106.4 45.0 -55.6 -46.0 25.3 31.8 86.1 210 205 A F H 4 S+ 0 0 0 -3,-0.5 4,-0.4 2,-0.2 -2,-0.2 0.840 116.6 45.5 -71.6 -34.9 28.0 29.6 87.6 211 206 A V H >< S+ 0 0 0 -4,-1.9 3,-1.0 2,-0.2 4,-0.5 0.930 115.3 44.6 -69.0 -50.1 28.7 31.9 90.5 212 207 A E H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.3 -2,-0.2 0.822 107.2 56.5 -74.1 -26.2 25.1 32.6 91.5 213 208 A T T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.707 103.6 58.1 -74.9 -17.8 23.8 29.0 91.2 214 209 A Q T < S+ 0 0 2 -3,-1.0 105,-3.0 -4,-0.4 -1,-0.2 0.554 87.7 95.3 -84.7 -11.7 26.5 28.1 93.8 215 210 A L B < S-D 318 0D 0 -3,-0.8 103,-0.2 -4,-0.5 2,-0.2 -0.381 93.5 -90.2 -73.9 159.2 25.2 30.5 96.4 216 211 A R - 0 0 114 101,-2.8 2,-0.3 -2,-0.1 -1,-0.1 -0.512 41.5-124.7 -66.7 132.9 22.8 29.2 99.0 217 212 A G + 0 0 17 -2,-0.2 14,-0.2 1,-0.1 15,-0.1 -0.635 37.9 166.9 -79.4 132.7 19.2 29.5 97.8 218 213 A T + 0 0 79 14,-2.5 2,-0.3 1,-0.4 -1,-0.1 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0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.848 90.8 62.9 -56.3 -33.6 -6.2 13.8 11.0 406 55 B A H > S+ 0 0 45 1,-0.2 4,-0.6 2,-0.2 6,-0.1 0.901 104.9 45.1 -61.7 -42.8 -8.7 14.5 13.9 407 56 B M H >4>S+ 0 0 41 -3,-0.5 5,-2.1 2,-0.2 3,-1.1 0.908 109.9 54.9 -64.7 -44.0 -9.3 18.0 12.4 408 57 B E H ><5S+ 0 0 92 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.880 101.2 59.0 -58.7 -36.4 -9.6 16.6 8.9 409 58 B A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 103.9 51.9 -64.8 -22.8 -12.3 14.1 10.1 410 59 B Q T <<5S- 0 0 121 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.264 125.6-103.6 -92.8 3.6 -14.4 17.1 11.2 411 60 B G T < 5S+ 0 0 69 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.713 82.4 125.5 80.7 24.2 -14.0 18.7 7.7 412 61 B K S > S+ 0 0 0 36,-0.3 4,-2.5 -3,-0.2 3,-1.6 0.515 74.8 137.3 76.1 10.5 7.3 23.9 4.3 421 70 B S H 3> + 0 0 0 -4,-0.3 4,-3.0 1,-0.3 8,-0.2 0.863 64.4 60.8 -61.6 -34.3 4.1 25.8 5.5 422 71 B I H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 8,-0.2 0.789 113.9 36.9 -67.0 -21.9 6.1 27.4 8.3 423 72 B M H X4 S+ 0 0 5 -3,-1.6 3,-1.2 2,-0.1 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53.3 -58.1 -44.5 3.0 31.0 20.6 434 83 B P G 3 S+ 0 0 11 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.705 107.6 54.2 -63.1 -21.6 4.6 27.6 20.3 435 84 B N G X S+ 0 0 1 -3,-1.8 3,-2.2 -6,-0.2 4,-0.3 0.197 77.7 150.4 -97.2 14.4 6.6 28.9 17.3 436 85 B I T < + 0 0 78 -3,-1.7 98,-0.1 1,-0.3 -5,-0.1 -0.148 68.3 12.3 -50.3 132.8 8.1 31.9 19.1 437 86 B G T >> S+ 0 0 14 -7,-0.2 3,-0.6 257,-0.1 4,-0.6 0.357 94.2 108.7 81.0 -4.5 11.5 32.9 17.8 438 87 B L H <> + 0 0 1 -3,-2.2 4,-2.2 -8,-0.2 5,-0.2 0.706 59.5 75.1 -81.9 -14.2 11.3 30.7 14.6 439 88 B D H 3> S+ 0 0 34 -4,-0.3 4,-2.5 -9,-0.3 -1,-0.2 0.841 89.0 62.0 -67.0 -25.5 10.9 33.6 12.1 440 89 B E H <> S+ 0 0 13 -3,-0.6 4,-1.6 254,-0.3 -1,-0.2 0.964 109.3 38.6 -61.3 -50.0 14.6 34.4 12.6 441 90 B I H X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.864 113.4 56.3 -69.9 -33.5 15.7 31.0 11.3 442 91 B V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.937 107.7 49.3 -59.2 -45.8 13.0 31.0 8.6 443 92 B K H < S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.8 49.8 -62.4 -36.6 14.4 34.3 7.3 444 93 B L H < S+ 0 0 66 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.840 115.2 43.3 -70.7 -32.8 17.9 33.0 7.2 445 94 B Q H >X S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-1.2 0.799 95.5 78.5 -80.7 -34.5 16.9 29.9 5.3 446 95 B K H >X S+ 0 0 76 -4,-2.2 4,-1.9 1,-0.3 3,-0.7 0.858 87.0 55.4 -47.4 -47.8 14.6 31.5 2.8 447 96 B P H 3> S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.777 105.4 54.3 -57.7 -32.5 17.2 32.9 0.4 448 97 B F H <> S+ 0 0 21 -3,-1.2 4,-1.8 -4,-0.3 6,-0.2 0.836 106.0 52.6 -70.0 -34.0 18.7 29.4 -0.0 449 98 B V H S+ 0 0 17 -4,-1.2 4,-1.3 -3,-0.7 5,-1.0 0.952 112.6 43.6 -65.5 -48.7 15.4 28.0 -1.1 450 99 B Q H ><5S+ 0 0 170 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.962 113.9 51.3 -63.0 -45.8 14.9 30.7 -3.7 451 100 B K H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 117.5 36.1 -61.2 -37.4 18.5 30.4 -5.0 452 101 B H H 3<5S- 0 0 49 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.536 99.7-127.9-102.0 -2.7 18.5 26.6 -5.4 453 102 B G T <<5 + 0 0 70 -4,-1.3 2,-0.2 -3,-0.6 -3,-0.2 0.842 58.6 138.8 65.6 32.5 15.0 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