==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-FEB-99 1B85 . COMPND 2 MOLECULE: LIGNINASE H8; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR W.BLODIG,W.A.DOYLE,A.T.SMITH,K.PIONTEK . 693 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 57.4 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 . 32 4.6 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 . 24 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 27.6 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 5 2 5 0 2 0 0 2 2 0 5 1 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 . 4 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 -3 A I 0 0 173 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.4 34.0 21.1 47.9 2 -2 A E - 0 0 97 13,-0.1 2,-0.6 14,-0.0 13,-0.2 -0.751 360.0-155.5 -98.5 142.8 34.1 24.6 49.4 3 -1 A K - 0 0 113 -2,-0.3 13,-1.0 2,-0.0 10,-0.1 -0.867 14.3-139.7-120.9 101.1 34.5 27.7 47.3 4 0 A R + 0 0 203 -2,-0.6 2,-0.3 11,-0.2 10,-0.2 -0.275 36.5 174.3 -58.8 134.8 36.0 30.7 49.1 5 1 A A E -A 13 0A 23 8,-2.1 8,-2.8 10,-0.1 2,-0.5 -0.995 38.3-125.7-149.6 153.2 34.1 33.8 47.9 6 2 A T E -A 12 0A 95 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.867 36.3-141.4 -98.5 124.9 33.6 37.5 48.4 7 3 A a > - 0 0 12 4,-3.0 3,-2.4 -2,-0.5 9,-0.0 -0.379 29.5 -94.1 -80.6 177.6 29.9 38.3 49.0 8 4 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.808 124.4 58.9 -63.7 -27.8 28.0 41.4 47.6 9 5 A N T 3 S- 0 0 73 2,-0.1 -1,-0.3 10,-0.1 3,-0.1 0.421 121.0-105.6 -80.6 0.0 28.7 43.2 50.9 10 6 A G S < S+ 0 0 54 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.424 78.9 127.4 93.6 -0.8 32.5 42.9 50.4 11 7 A K - 0 0 118 8,-0.1 -4,-3.0 -5,-0.0 2,-0.3 -0.719 54.0-132.5 -95.6 143.2 33.1 40.2 53.0 12 8 A T E -A 6 0A 51 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.673 27.4-178.7 -96.1 136.5 35.0 37.0 52.3 13 9 A V E -A 5 0A 1 -8,-2.8 -8,-2.1 -2,-0.3 276,-0.1 -0.910 38.4-107.6-129.6 169.6 33.5 33.7 53.5 14 10 A G S S+ 0 0 21 274,-0.4 2,-0.3 -2,-0.3 275,-0.1 0.737 101.0 15.3 -69.0 -32.0 34.4 30.1 53.3 15 11 A D S > S- 0 0 20 -13,-0.2 3,-2.0 273,-0.1 4,-0.4 -0.996 72.6-123.8-143.1 143.8 31.9 29.0 50.7 16 12 A A G > S+ 0 0 43 -13,-1.0 3,-1.2 -2,-0.3 4,-0.3 0.784 108.1 68.6 -56.5 -26.8 29.8 31.0 48.3 17 13 A S G > S+ 0 0 61 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.761 89.2 66.2 -65.7 -22.8 26.6 29.4 49.8 18 14 A b G X S+ 0 0 0 -3,-2.0 3,-1.8 1,-0.2 4,-0.4 0.726 80.3 79.0 -68.4 -25.7 27.2 31.3 53.0 19 15 A a G X S+ 0 0 30 -3,-1.2 3,-1.5 -4,-0.4 4,-0.5 0.827 83.4 61.7 -55.9 -34.6 26.6 34.7 51.4 20 16 A A G X> S+ 0 0 59 -3,-0.6 4,-1.2 -4,-0.3 3,-0.7 0.714 91.7 68.8 -67.3 -19.2 22.8 34.3 51.5 21 17 A W H <> S+ 0 0 16 -3,-1.8 4,-2.9 -4,-0.3 -1,-0.3 0.721 84.5 69.3 -77.9 -13.8 23.0 34.1 55.3 22 18 A F H <> S+ 0 0 22 -3,-1.5 4,-2.2 -4,-0.4 -1,-0.2 0.898 99.9 48.7 -66.8 -34.3 24.1 37.8 55.5 23 19 A D H <> S+ 0 0 101 -3,-0.7 4,-1.8 -4,-0.5 -1,-0.2 0.900 111.1 50.0 -71.6 -37.4 20.5 38.7 54.4 24 20 A V H X S+ 0 0 2 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.899 109.4 52.7 -62.9 -45.7 19.1 36.4 57.0 25 21 A L H X S+ 0 0 16 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.943 108.4 48.7 -49.8 -54.0 21.4 38.0 59.6 26 22 A D H X S+ 0 0 104 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.920 112.5 48.9 -57.0 -42.6 20.2 41.6 58.8 27 23 A D H X S+ 0 0 13 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.940 114.8 42.3 -65.2 -49.2 16.5 40.6 59.0 28 24 A I H X>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-2.4 0.885 110.3 56.2 -73.1 -32.7 16.7 38.7 62.3 29 25 A Q H <5S+ 0 0 36 -4,-2.7 6,-2.6 -5,-0.2 7,-1.8 0.941 119.9 33.0 -61.3 -41.7 18.9 41.4 64.0 30 26 A Q H <5S+ 0 0 137 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.890 131.2 28.3 -78.9 -45.2 16.3 44.0 63.2 31 27 A N H <5S+ 0 0 93 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.563 130.2 27.6-104.4 -5.2 13.1 42.1 63.4 32 28 A L T <5S+ 0 0 4 -4,-2.4 -3,-0.2 -5,-0.3 9,-0.2 0.676 128.2 35.9-118.5 -42.7 13.6 39.3 65.9 33 29 A F S > S- 0 0 17 -2,-0.6 4,-2.8 -6,-0.1 5,-0.2 -0.094 80.8 -51.4-109.1-152.6 17.1 40.1 75.5 40 36 A A H > S+ 0 0 11 303,-0.2 4,-2.4 1,-0.2 5,-0.2 0.900 131.8 48.6 -60.9 -45.4 14.2 37.7 75.7 41 37 A E H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 112.1 50.2 -65.3 -36.2 14.1 36.6 72.1 42 38 A A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.949 111.5 48.1 -65.2 -45.5 17.9 36.0 72.1 43 39 A H H X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.911 111.9 49.3 -59.2 -46.8 17.7 33.9 75.3 44 40 A E H X S+ 0 0 15 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.877 108.7 53.5 -59.6 -38.6 14.7 31.9 73.9 45 41 A S H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.830 108.8 49.3 -63.9 -38.4 16.7 31.2 70.6 46 42 A I H X S+ 0 0 11 -4,-2.1 4,-1.1 1,-0.2 3,-0.3 0.944 111.3 48.8 -69.2 -40.6 19.6 29.9 72.6 47 43 A R H X S+ 0 0 82 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.927 105.4 59.5 -60.5 -40.8 17.4 27.6 74.7 48 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.881 96.8 60.8 -60.9 -32.6 15.7 26.3 71.4 49 45 A V H X S+ 0 0 3 -4,-1.3 4,-2.8 -3,-0.3 -1,-0.2 0.925 107.4 44.3 -58.4 -45.2 19.1 25.1 70.1 50 46 A F H X S+ 0 0 48 -4,-1.1 4,-2.5 -3,-0.4 -1,-0.2 0.909 113.6 49.6 -67.8 -42.3 19.4 22.7 73.1 51 47 A H H < S+ 0 0 15 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.787 115.3 43.6 -69.1 -29.9 15.8 21.5 72.9 52 48 A D H >< S+ 0 0 2 -4,-2.5 3,-0.6 -5,-0.2 20,-0.3 0.941 121.4 40.6 -75.3 -45.4 16.0 20.8 69.1 53 49 A S H 3< S+ 0 0 3 -4,-2.8 18,-0.2 -5,-0.3 -2,-0.2 0.819 104.7 56.1 -78.8 -38.9 19.5 19.1 69.4 54 50 A I T 3< S+ 0 0 0 -4,-2.5 2,-2.0 -5,-0.2 -1,-0.2 0.596 80.1 98.1 -73.9 -9.3 19.5 16.9 72.5 55 51 A A < + 0 0 2 -3,-0.6 15,-1.7 -4,-0.3 2,-0.3 -0.533 59.6 101.2 -82.5 76.3 16.5 14.9 71.3 56 52 A I - 0 0 28 -2,-2.0 12,-0.2 13,-0.2 13,-0.1 -0.956 47.4-172.3-156.3 141.5 18.4 12.0 69.8 57 53 A S > - 0 0 4 11,-0.5 4,-2.1 -2,-0.3 3,-0.5 -0.690 20.8-175.1-151.5 99.0 19.0 8.6 71.4 58 54 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.842 92.6 61.2 -53.3 -37.0 21.3 5.9 70.2 59 55 A A H > S+ 0 0 45 2,-0.2 4,-1.2 1,-0.2 6,-0.1 0.911 105.0 45.4 -63.4 -43.0 19.9 3.7 73.0 60 56 A M H >4>S+ 0 0 48 -3,-0.5 5,-1.7 2,-0.2 3,-0.8 0.952 110.2 54.4 -64.3 -45.2 16.3 3.9 71.6 61 57 A E H ><5S+ 0 0 91 -4,-2.1 3,-2.2 1,-0.3 -2,-0.2 0.921 104.6 54.7 -54.6 -41.8 17.6 3.2 68.1 62 58 A A H 3<5S+ 0 0 92 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.861 104.0 56.5 -60.9 -30.8 19.3 0.0 69.4 63 59 A Q T <<5S- 0 0 118 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.320 125.8-101.5 -79.4 3.8 15.8 -1.0 70.8 64 60 A G T < 5S+ 0 0 72 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.373 86.9 115.7 91.0 -4.1 14.2 -0.7 67.3 65 61 A K S > S+ 0 0 0 36,-0.3 4,-2.6 37,-0.2 3,-1.5 0.546 75.0 138.0 74.0 11.6 14.7 21.5 63.0 74 70 A S H 3> + 0 0 1 -4,-0.3 4,-2.8 1,-0.3 8,-0.3 0.850 63.1 58.8 -61.1 -35.7 12.2 18.9 64.3 75 71 A I H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 8,-0.2 0.785 114.5 38.5 -67.7 -19.9 10.9 21.1 67.1 76 72 A M H X4 S+ 0 0 5 -3,-1.5 3,-1.2 2,-0.1 -2,-0.2 0.886 117.6 47.4 -91.1 -49.1 10.0 23.8 64.5 77 73 A I H 3< S+ 0 0 58 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.893 127.6 27.5 -58.9 -48.3 8.7 21.4 61.8 78 74 A F T >X S+ 0 0 51 -4,-2.8 4,-2.4 -5,-0.2 3,-0.9 -0.415 78.7 143.1-108.5 51.2 6.5 19.4 64.3 79 75 A D H <> + 0 0 6 -3,-1.2 4,-1.7 1,-0.3 5,-0.2 0.821 65.1 63.1 -65.7 -29.2 5.9 22.1 66.8 80 76 A D H 34 S+ 0 0 128 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.818 115.7 33.6 -64.8 -28.3 2.4 21.1 67.5 81 77 A I H X4 S+ 0 0 80 -3,-0.9 3,-1.1 2,-0.1 4,-0.4 0.919 122.4 38.7 -87.8 -65.5 3.8 17.8 68.8 82 78 A E H >< S+ 0 0 1 -4,-2.4 3,-1.1 -8,-0.3 6,-0.2 0.844 111.2 56.9 -64.6 -30.8 7.3 18.6 70.4 83 79 A T T 3< S+ 0 0 21 -4,-1.7 9,-0.3 -5,-0.3 7,-0.3 0.590 98.4 63.3 -81.0 -2.1 6.3 21.9 72.1 84 80 A A T < S+ 0 0 81 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.615 79.8 104.4 -91.1 -11.3 3.5 20.1 74.0 85 81 A F S X S- 0 0 36 -3,-1.1 3,-1.7 -4,-0.4 -4,-0.0 -0.501 82.1-122.9 -70.3 141.0 6.1 18.0 75.8 86 82 A H G > S+ 0 0 96 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.859 109.2 54.4 -55.9 -44.0 6.5 19.2 79.4 87 83 A P G 3 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.696 107.4 53.2 -61.7 -22.4 10.3 19.8 79.1 88 84 A N G X S+ 0 0 2 -3,-1.7 3,-2.0 -6,-0.2 4,-0.3 0.157 78.3 150.1-100.3 20.9 9.7 22.1 76.1 89 85 A I T < + 0 0 68 -3,-1.8 98,-0.1 1,-0.3 -5,-0.1 -0.209 67.2 14.9 -56.6 134.7 7.1 24.2 77.9 90 86 A G T >> S+ 0 0 18 -7,-0.3 3,-0.8 257,-0.1 4,-0.5 0.229 94.4 106.4 87.3 -13.0 7.0 27.8 76.6 91 87 A L H <> + 0 0 2 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.657 57.9 77.0 -78.8 -12.6 9.0 27.2 73.4 92 88 A D H 3> S+ 0 0 37 -4,-0.3 4,-2.7 -9,-0.3 -1,-0.2 0.863 89.9 60.5 -66.8 -27.6 6.1 27.4 70.9 93 89 A E H <> S+ 0 0 17 -3,-0.8 4,-1.6 254,-0.3 -1,-0.2 0.918 109.4 38.8 -61.5 -48.3 6.3 31.2 71.3 94 90 A I H X S+ 0 0 0 -4,-0.5 4,-2.0 2,-0.2 5,-0.2 0.869 114.0 56.0 -72.1 -34.5 9.9 31.5 70.0 95 91 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.966 108.2 48.7 -60.0 -44.7 9.1 28.8 67.4 96 92 A K H < S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 110.9 49.9 -64.4 -31.4 6.2 30.9 66.1 97 93 A L H < S+ 0 0 68 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.798 114.7 44.9 -75.7 -27.8 8.4 34.1 66.0 98 94 A Q H >X S+ 0 0 0 -4,-2.0 4,-1.3 -3,-0.2 3,-1.1 0.811 94.3 76.7 -82.3 -35.4 11.1 32.2 64.0 99 95 A K H >X S+ 0 0 59 -4,-2.1 4,-2.0 1,-0.2 3,-0.6 0.873 88.2 56.5 -46.0 -49.1 9.0 30.4 61.4 100 96 A P H 3> S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.797 105.3 53.6 -56.6 -32.9 8.2 33.3 59.1 101 97 A F H <> S+ 0 0 21 -3,-1.1 4,-2.1 -4,-0.3 6,-0.2 0.874 107.0 51.0 -70.1 -36.3 12.0 33.9 58.7 102 98 A V H S+ 0 0 15 -4,-1.3 4,-1.1 -3,-0.6 5,-0.9 0.928 113.7 45.5 -63.4 -47.2 12.6 30.3 57.6 103 99 A Q H <5S+ 0 0 149 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.912 113.8 47.9 -65.1 -47.1 9.8 30.6 55.1 104 100 A K H <5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 119.0 37.4 -62.4 -42.0 10.9 34.0 53.7 105 101 A H H <5S- 0 0 50 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.530 99.0-129.9 -93.1 -6.9 14.6 33.0 53.3 106 102 A G T <5 + 0 0 68 -4,-1.1 2,-0.2 -3,-0.3 -3,-0.2 0.841 57.0 138.5 64.1 39.3 14.2 29.4 52.1 107 103 A V < - 0 0 28 -5,-0.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.668 60.9 -92.0-106.7 165.1 16.7 27.9 54.6 108 104 A T > - 0 0 35 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.516 30.8-123.7 -74.0 152.4 16.2 24.6 56.5 109 105 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -36,-0.3 0.884 110.9 52.1 -62.8 -40.4 14.6 24.9 59.9 110 106 A G H > S+ 0 0 1 -38,-0.5 4,-2.1 26,-0.3 -37,-0.2 0.908 110.9 47.2 -61.5 -43.0 17.5 23.1 61.6 111 107 A D H > S+ 0 0 13 25,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.942 111.8 51.4 -70.5 -37.9 20.1 25.5 60.0 112 108 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.899 108.5 50.0 -63.1 -45.2 17.9 28.5 61.0 113 109 A I H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.924 113.4 46.4 -58.3 -44.1 17.7 27.4 64.7 114 110 A A H X S+ 0 0 6 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 114.2 49.6 -66.1 -37.6 21.5 26.9 64.9 115 111 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.946 110.8 46.6 -63.8 -51.7 22.0 30.3 63.1 116 112 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.861 111.0 54.6 -62.2 -33.2 19.7 32.3 65.4 117 113 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.922 110.9 44.0 -65.4 -43.2 21.3 30.7 68.5 118 114 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.930 115.5 47.2 -70.5 -40.0 24.7 31.7 67.4 119 115 A V H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.942 109.4 54.7 -65.9 -43.3 23.7 35.2 66.4 120 116 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 -5,-0.2 4,-0.3 0.930 109.4 47.4 -53.1 -45.6 21.7 35.6 69.7 121 117 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 6,-0.3 0.892 104.5 60.4 -64.9 -35.8 24.9 34.7 71.7 122 118 A S H 3< S+ 0 0 7 -4,-2.1 175,-0.5 1,-0.3 -1,-0.2 0.755 98.8 59.6 -66.3 -17.7 27.0 37.2 69.6 123 119 A N T << S+ 0 0 24 -4,-1.2 -85,-0.3 -3,-0.8 -1,-0.3 0.608 89.1 84.3 -80.8 -12.5 24.7 39.9 70.9 124 120 A c S X S- 0 0 0 -3,-1.9 3,-2.0 -4,-0.3 79,-0.2 -0.827 87.8-118.7 -96.4 120.6 25.6 39.2 74.5 125 121 A P T 3 S+ 0 0 21 0, 0.0 79,-2.4 0, 0.0 174,-0.2 -0.217 98.7 28.1 -55.9 143.3 28.8 41.0 75.7 126 122 A G T 3 S+ 0 0 6 171,-3.3 173,-0.1 1,-0.3 77,-0.1 0.303 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42.2-141.2 -83.8 115.5 20.9 19.9 58.4 137 133 A A - 0 0 68 -2,-0.8 3,-0.1 1,-0.1 -1,-0.0 -0.361 34.9 -86.4 -70.4 151.4 18.2 18.3 56.3 138 134 A P - 0 0 73 0, 0.0 -65,-0.2 0, 0.0 -1,-0.1 -0.262 49.9-108.6 -57.0 134.1 14.6 18.9 57.4 139 135 A A - 0 0 12 -67,-1.6 -3,-0.0 1,-0.1 -29,-0.0 -0.381 22.8-160.7 -59.1 151.3 13.5 16.3 59.9 140 136 A T S S+ 0 0 125 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 0.581 74.0 35.2-112.7 -8.6 11.0 13.7 58.7 141 137 A Q S S- 0 0 96 -63,-0.0 -72,-0.3 0, 0.0 -1,-0.2 -0.989 83.2-111.7-142.7 144.1 9.7 12.6 62.1 142 138 A P - 0 0 38 0, 0.0 -74,-0.2 0, 0.0 -67,-0.1 -0.366 41.3-108.1 -67.7 149.0 9.1 14.4 65.5 143 139 A A - 0 0 4 1,-0.1 -76,-0.1 -75,-0.1 -75,-0.1 -0.530 35.8-108.8 -74.0 158.4 11.4 13.4 68.3 144 140 A P - 0 0 37 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.289 33.8-107.7 -72.4 168.2 9.9 11.2 71.1 145 141 A D S S+ 0 0 79 1,-0.2 -63,-0.0 2,-0.1 -60,-0.0 -0.356 94.9 61.2 -88.9 171.2 9.3 12.7 74.5 146 142 A G S S+ 0 0 56 2,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.571 81.2 92.9 88.5 7.7 11.5 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A Q H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 113.3 46.7 -65.9 -44.2 19.5 10.9 85.2 158 154 A I H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.914 111.5 50.2 -66.4 -45.5 20.9 14.0 83.5 159 155 A I H X S+ 0 0 17 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.911 113.1 47.7 -55.1 -47.6 24.4 12.6 83.2 160 156 A N H X S+ 0 0 98 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.861 110.3 52.0 -64.6 -38.3 23.0 9.5 81.6 161 157 A R H X S+ 0 0 31 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.933 112.2 43.2 -66.0 -46.6 20.8 11.3 79.2 162 158 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 6,-1.5 0.822 112.0 55.1 -71.9 -28.1 23.6 13.6 77.8 163 159 A N H X S+ 0 0 87 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.938 112.0 44.0 -65.1 -40.6 26.0 10.6 77.6 164 160 A D H < S+ 0 0 36 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.959 114.2 50.0 -67.0 -51.2 23.4 8.7 75.5 165 161 A A H < S- 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.863 138.8 -8.7 -58.6 -43.6 22.6 11.7 73.3 166 162 A G H < S- 0 0 24 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.259 91.7-102.1-142.7 17.0 26.1 12.7 72.3 167 163 A E 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26.0 -97.9 -8.2 26.2 30.5 4.3 378 28 B L T <5S+ 0 0 5 -4,-2.2 -3,-0.2 -5,-0.3 9,-0.2 0.738 127.9 36.9-116.4 -42.7 23.6 29.3 6.9 379 29 B F S > S- 0 0 18 -2,-0.8 4,-2.7 -6,-0.1 5,-0.2 -0.142 79.5 -53.6-106.3-151.4 25.4 26.2 16.5 386 36 B A H > S+ 0 0 12 1,-0.2 4,-2.6 303,-0.2 5,-0.2 0.913 131.1 48.1 -61.3 -48.6 22.3 28.5 16.8 387 37 B E H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 112.8 50.3 -63.5 -38.9 21.2 28.3 13.2 388 38 B A H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 111.4 47.4 -62.6 -46.4 21.5 24.4 13.2 389 39 B H H X S+ 0 0 16 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.911 112.2 50.2 -62.1 -43.2 19.5 24.1 16.4 390 40 B E H X S+ 0 0 16 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.893 108.7 52.9 -63.7 -36.5 16.8 26.5 15.0 391 41 B S H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 72,-0.2 0.841 108.3 49.6 -68.6 -34.0 16.6 24.4 11.8 392 42 B I H X S+ 0 0 12 -4,-2.0 4,-1.2 2,-0.2 3,-0.4 0.925 111.6 48.4 -69.5 -42.3 16.1 21.2 13.8 393 43 B R H X S+ 0 0 79 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.931 105.6 60.1 -59.3 -40.8 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110.6 49.6 -63.7 -33.9 13.8 34.4 7.2 443 93 B L H < S+ 0 0 67 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.850 115.0 44.6 -70.1 -33.7 17.3 33.1 7.1 444 94 B Q H >X S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-1.2 0.855 94.6 77.9 -79.6 -32.3 16.2 30.0 5.1 445 95 B K H >X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.3 3,-0.5 0.801 87.3 55.1 -50.6 -45.9 13.9 31.6 2.6 446 96 B P H 3> S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.784 104.6 55.6 -63.4 -26.3 16.6 33.0 0.2 447 97 B F H <> S+ 0 0 22 -3,-1.4 4,-2.2 -4,-0.3 6,-0.2 0.867 106.6 50.6 -71.8 -34.0 18.1 29.5 -0.2 448 98 B V H S+ 0 0 17 -4,-1.2 4,-1.4 -3,-0.5 5,-0.9 0.968 112.6 45.8 -66.8 -47.6 14.7 28.1 -1.3 449 99 B Q H <5S+ 0 0 171 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.932 114.3 48.8 -59.8 -45.3 14.3 30.9 -3.9 450 100 B K H <5S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 118.2 36.7 -67.5 -34.3 17.8 30.5 -5.2 451 101 B H H <5S- 0 0 50 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.505 98.8-129.6 -99.3 -4.9 17.9 26.7 -5.6 452 102 B G T <5 + 0 0 69 -4,-1.4 2,-0.2 -3,-0.5 -3,-0.2 0.835 57.6 137.9 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