==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 17-MAR-97 1LL1 . COMPND 2 MOLECULE: METCYANIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: LIMULUS POLYPHEMUS; . AUTHOR S.LIU,K.MAGNUS . 590 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 371 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 9 0 1 0 0 1 2 1 0 1 1 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 1 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 PARALLEL BRIDGES PER LADDER . 5 1 1 0 0 1 0 3 2 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 . 3 2 0 0 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 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 T 0 0 73 0, 0.0 5,-0.1 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0-178.3 52.1 14.9 34.4 2 2 A L >> - 0 0 111 1,-0.2 3,-1.4 3,-0.1 4,-1.4 -0.237 360.0-129.3 -50.7 126.9 55.7 13.9 33.7 3 3 A H H 3> S+ 0 0 60 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.692 108.1 66.7 -53.0 -21.8 56.2 14.2 29.9 4 4 A D H 3> S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.909 100.8 47.9 -65.5 -43.1 57.6 10.6 30.1 5 5 A K H <> S+ 0 0 57 -3,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.893 110.6 51.5 -63.6 -42.4 54.1 9.4 31.0 6 6 A Q H X S+ 0 0 15 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.854 108.7 50.1 -63.8 -40.0 52.5 11.4 28.2 7 7 A I H X S+ 0 0 56 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.897 108.8 51.9 -67.7 -39.1 54.9 10.0 25.6 8 8 A R H X S+ 0 0 84 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.823 109.7 50.1 -66.6 -33.4 54.2 6.4 26.7 9 9 A V H >X S+ 0 0 0 -4,-1.5 4,-0.9 1,-0.2 3,-0.6 0.890 105.3 57.0 -72.1 -39.2 50.5 7.0 26.4 10 10 A C H 3< S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.841 100.8 58.6 -60.3 -33.6 51.0 8.4 22.9 11 11 A H H >< S+ 0 0 84 -4,-1.4 3,-1.4 1,-0.2 -1,-0.3 0.852 96.9 60.6 -65.4 -33.8 52.6 5.2 21.9 12 12 A L H << S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.850 109.8 42.2 -61.3 -33.3 49.5 3.2 22.8 13 13 A F T >< S+ 0 0 1 -4,-0.9 3,-0.5 -3,-0.4 2,-0.5 0.232 88.3 118.5 -98.7 11.8 47.6 5.2 20.2 14 14 A E T < S- 0 0 50 -3,-1.4 385,-0.1 1,-0.2 91,-0.1 -0.709 91.2 -18.3 -85.7 123.6 50.2 5.1 17.5 15 15 A Q T > S+ 0 0 32 383,-2.6 3,-0.8 -2,-0.5 -1,-0.2 0.900 75.5 169.1 48.6 53.0 49.3 3.3 14.3 16 16 A L T < + 0 0 3 -3,-0.5 4,-0.5 382,-0.4 3,-0.1 0.835 66.1 68.3 -61.8 -36.2 46.3 1.5 15.9 17 17 A S T 3 S+ 0 0 15 88,-0.3 2,-0.6 382,-0.3 -1,-0.2 0.814 101.5 50.3 -53.8 -34.7 45.0 0.3 12.5 18 18 A S S < S+ 0 0 68 -3,-0.8 -1,-0.2 381,-0.2 205,-0.0 -0.852 92.3 60.6-115.8 98.7 48.0 -2.0 12.1 19 19 A A 0 0 59 -2,-0.6 54,-0.1 -3,-0.1 -2,-0.1 -0.051 360.0 360.0-171.3 -66.8 48.8 -4.3 15.0 20 20 A T 0 0 49 -4,-0.5 53,-0.1 52,-0.4 -2,-0.1 0.807 360.0 360.0 -89.7 360.0 45.9 -6.7 15.8 21 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 22 21 A V > 0 0 72 0, 0.0 3,-0.6 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 150.7 47.6 -13.0 29.9 23 22 A I G > + 0 0 79 1,-0.2 3,-0.7 2,-0.1 0, 0.0 0.706 360.0 64.0 -68.6 -19.2 45.0 -14.5 32.3 24 33 A R G 3 S+ 0 0 106 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.847 97.5 54.4 -71.2 -37.3 43.7 -10.9 32.8 25 34 A L G < S+ 0 0 8 -3,-0.6 3,-0.4 1,-0.2 -1,-0.2 -0.149 72.0 114.9 -93.9 40.7 42.6 -10.6 29.1 26 35 A K S < S+ 0 0 163 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.869 77.9 40.6 -79.1 -38.9 40.4 -13.7 28.9 27 36 A N S S+ 0 0 63 -3,-0.4 2,-0.3 23,-0.1 -1,-0.2 0.205 106.8 77.5 -95.8 16.6 36.9 -12.2 28.4 28 37 A V + 0 0 6 -3,-0.4 20,-0.1 1,-0.2 19,-0.0 -0.918 68.2 57.6-122.3 149.0 38.3 -9.6 26.0 29 38 A G + 0 0 34 -2,-0.3 -1,-0.2 47,-0.0 3,-0.1 0.814 63.0 118.6 99.9 39.8 39.2 -10.1 22.3 30 39 A K + 0 0 153 -3,-0.2 2,-0.9 1,-0.1 -2,-0.1 0.752 56.3 75.8-102.5 -35.9 36.0 -11.4 20.9 31 40 A L S S- 0 0 16 13,-0.1 45,-0.5 45,-0.1 -1,-0.1 -0.707 91.0-125.5 -80.9 106.7 35.3 -8.7 18.3 32 41 A Q > - 0 0 116 -2,-0.9 3,-1.2 1,-0.1 43,-0.1 -0.196 28.0-101.6 -55.3 138.8 37.7 -9.5 15.5 33 42 A P T 3 S+ 0 0 46 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 -0.256 104.7 40.5 -59.9 150.8 40.1 -6.6 14.5 34 43 A G T 3 S+ 0 0 2 1,-0.4 192,-0.2 -3,-0.1 2,-0.1 -0.069 88.0 112.1 99.9 -34.6 39.1 -4.8 11.3 35 44 A A S < S- 0 0 6 -3,-1.2 -1,-0.4 1,-0.1 43,-0.3 -0.430 80.4-100.1 -73.4 146.0 35.4 -4.7 12.1 36 45 A I - 0 0 3 -2,-0.1 2,-0.4 191,-0.1 -1,-0.1 -0.498 37.3-130.5 -66.2 130.5 33.7 -1.4 12.9 37 46 A F - 0 0 4 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.1 -0.738 15.9-142.9 -86.7 132.7 33.3 -1.0 16.7 38 47 A S - 0 0 0 -2,-0.4 291,-0.2 1,-0.1 290,-0.1 -0.859 13.1-167.0-100.7 125.7 29.8 -0.0 17.9 39 48 A C S S+ 0 0 8 289,-2.3 290,-0.1 -2,-0.5 -1,-0.1 0.259 90.6 41.9 -90.1 9.2 29.5 2.4 20.8 40 49 A F S S+ 0 0 2 288,-0.4 -1,-0.2 264,-0.0 268,-0.1 0.589 85.2 96.1-127.4 -26.7 25.8 1.6 21.1 41 50 A H S >> S- 0 0 10 287,-0.2 4,-2.1 1,-0.1 3,-1.0 -0.616 71.0-134.9 -73.6 127.1 25.4 -2.2 20.6 42 51 A P H 3> S+ 0 0 41 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.806 101.9 52.9 -47.8 -43.9 25.3 -4.0 24.1 43 52 A D H 3> S+ 0 0 100 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.807 110.7 46.8 -69.2 -28.4 27.6 -6.8 23.0 44 53 A H H <> S+ 0 0 28 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.913 112.8 48.1 -77.5 -43.4 30.3 -4.4 21.9 45 54 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.748 105.7 61.5 -66.5 -25.9 30.1 -2.2 25.0 46 55 A E H X S+ 0 0 82 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.962 109.6 38.9 -64.3 -53.1 30.2 -5.4 27.1 47 56 A E H X S+ 0 0 12 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.866 114.8 54.5 -66.1 -37.4 33.7 -6.2 25.8 48 57 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 108.8 49.6 -64.0 -37.8 34.7 -2.6 25.9 49 58 A R H X S+ 0 0 64 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.956 108.2 51.4 -65.2 -53.5 33.7 -2.4 29.6 50 59 A H H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.902 110.9 50.7 -50.3 -44.5 35.7 -5.6 30.5 51 60 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.920 110.4 45.9 -64.1 -46.1 38.7 -4.1 28.8 52 61 A Y H X S+ 0 0 3 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.704 111.0 55.2 -72.5 -14.5 38.6 -0.7 30.6 53 62 A E H X S+ 0 0 36 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.874 106.4 49.8 -79.7 -38.8 38.0 -2.6 33.8 54 63 A V H < S+ 0 0 18 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.937 114.0 46.0 -61.6 -45.7 41.2 -4.6 33.2 55 64 A F H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.865 111.5 54.0 -64.5 -36.2 42.9 -1.3 32.6 56 65 A W H 3< S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 106.2 49.3 -64.8 -46.4 41.3 0.2 35.7 57 66 A E T 3< S+ 0 0 120 -4,-2.5 -1,-0.2 7,-0.0 -2,-0.2 0.419 78.7 130.2 -76.1 -0.3 42.4 -2.5 38.1 58 67 A A < - 0 0 5 -3,-0.8 6,-0.1 -4,-0.4 -3,-0.0 -0.397 64.2-129.5 -58.7 125.1 46.0 -2.2 36.9 59 68 A G S S- 0 0 64 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 0.835 76.0 -16.4 -44.5 -47.1 48.2 -1.8 40.0 60 69 A D S > S- 0 0 72 1,-0.0 4,-2.4 33,-0.0 3,-0.4 -0.927 79.2 -81.1-152.8 176.9 50.1 1.2 38.7 61 70 A F H > S+ 0 0 11 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.854 125.6 51.3 -51.9 -42.1 50.9 3.2 35.6 62 71 A N H > S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.866 112.7 44.6 -65.3 -39.0 53.7 0.8 34.6 63 72 A D H > S+ 0 0 46 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.806 111.5 56.5 -74.1 -29.6 51.4 -2.2 34.9 64 73 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.947 110.1 41.8 -66.2 -50.8 48.7 -0.1 33.0 65 74 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.849 114.6 54.0 -67.2 -32.7 50.9 0.5 30.0 66 75 A E H X S+ 0 0 55 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.935 111.9 41.1 -68.1 -47.3 52.2 -3.0 30.0 67 76 A I H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.853 115.2 52.9 -69.5 -33.0 48.7 -4.7 30.0 68 77 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.917 105.5 54.1 -67.2 -43.2 47.5 -2.1 27.4 69 78 A K H < S+ 0 0 87 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.851 111.6 45.8 -58.2 -38.6 50.4 -2.9 25.1 70 79 A E H >< S+ 0 0 76 -4,-1.4 3,-1.0 1,-0.2 4,-0.3 0.906 110.3 52.9 -73.1 -42.1 49.5 -6.6 25.2 71 80 A A H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-1.6 0.876 100.9 59.5 -62.4 -39.9 45.8 -6.0 24.7 72 81 A R T 3< S+ 0 0 34 -4,-2.3 -52,-0.4 1,-0.3 -1,-0.2 0.658 92.5 69.4 -66.5 -13.4 46.2 -3.9 21.5 73 82 A T T <4 S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.619 121.0 10.2 -80.5 -12.4 48.0 -6.7 19.8 74 83 A F T <4 S+ 0 0 76 -3,-1.6 -2,-0.2 -4,-0.3 2,-0.2 0.509 105.9 92.6-139.5 -16.5 44.8 -8.8 19.5 75 84 A V S < S- 0 0 1 -4,-2.4 -55,-0.2 1,-0.1 -43,-0.1 -0.505 88.7 -86.8 -84.9 152.4 41.8 -6.7 20.5 76 85 A N > - 0 0 0 -45,-0.5 4,-1.8 -2,-0.2 -1,-0.1 -0.350 37.1-132.0 -55.3 134.7 39.7 -4.7 18.0 77 86 A E H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.795 102.9 49.6 -64.1 -30.6 41.3 -1.3 17.5 78 87 A G H > S+ 0 0 4 -43,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.926 111.4 48.7 -73.6 -43.3 38.2 0.7 17.9 79 88 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.822 111.8 52.1 -63.2 -34.0 37.3 -1.1 21.1 80 89 A F H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.946 106.6 49.4 -68.8 -52.1 40.8 -0.5 22.4 81 90 A A H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.878 114.5 49.1 -54.1 -38.0 40.8 3.3 21.7 82 91 A F H X S+ 0 0 6 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.982 113.9 42.8 -64.5 -58.4 37.5 3.4 23.6 83 92 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.821 116.3 49.5 -58.7 -35.5 38.7 1.3 26.6 84 93 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.857 107.1 52.0 -75.4 -38.3 42.0 3.2 26.7 85 94 A E H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.902 109.4 51.2 -66.6 -36.7 40.6 6.7 26.6 86 95 A V H X S+ 0 0 2 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.906 110.2 50.0 -64.5 -40.7 38.3 5.8 29.5 87 96 A A H X S+ 0 0 2 -4,-1.4 4,-2.5 1,-0.2 3,-0.3 0.938 110.6 48.5 -63.7 -46.8 41.2 4.5 31.5 88 97 A V H < S+ 0 0 2 -4,-2.4 9,-0.2 1,-0.2 -1,-0.2 0.888 111.1 49.9 -62.1 -42.2 43.4 7.6 30.9 89 98 A L H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.764 121.3 33.5 -68.6 -27.2 40.6 10.0 31.9 90 99 A H H < S+ 0 0 29 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.691 90.6 96.4-106.1 -21.3 39.8 8.2 35.1 91 100 A R < - 0 0 11 -4,-2.5 3,-0.5 -5,-0.2 4,-0.0 -0.454 65.3-140.8 -71.9 142.4 43.0 6.8 36.5 92 101 A D S > S+ 0 0 122 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.850 101.8 57.5 -70.8 -35.8 44.7 8.9 39.2 93 102 A D T 3 S+ 0 0 43 1,-0.3 -1,-0.2 3,-0.0 -5,-0.1 0.636 105.7 53.2 -69.0 -14.9 48.2 8.2 37.9 94 103 A C T > S+ 0 0 0 -3,-0.5 3,-2.6 -7,-0.2 -1,-0.3 0.343 76.0 130.0 -99.8 1.4 47.0 9.6 34.5 95 104 A K T < S+ 0 0 87 -3,-1.4 3,-0.1 1,-0.3 -6,-0.1 -0.401 76.3 24.6 -58.2 128.1 45.8 12.9 36.0 96 105 A G T 3 S+ 0 0 22 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.107 96.8 121.1 100.9 -19.3 47.3 15.6 33.9 97 106 A L < - 0 0 1 -3,-2.6 -1,-0.3 -9,-0.2 2,-0.1 -0.613 50.2-149.5 -85.0 134.2 47.7 13.3 30.9 98 107 A Y - 0 0 51 -2,-0.3 407,-0.1 -3,-0.1 406,-0.1 -0.423 12.7-126.9 -88.9 170.8 46.1 14.2 27.5 99 108 A V - 0 0 0 405,-0.3 3,-0.1 -2,-0.1 -89,-0.1 -0.968 33.5-104.1-120.5 133.5 44.8 11.7 25.0 100 109 A P - 0 0 0 0, 0.0 395,-0.1 0, 0.0 5,-0.1 -0.300 53.7 -82.9 -56.8 145.0 46.1 12.1 21.4 101 110 A P >> - 0 0 3 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.236 32.5-137.2 -51.3 130.8 43.4 13.6 19.1 102 111 A V H 3> S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.802 103.6 60.5 -62.0 -29.6 41.0 10.8 17.9 103 112 A Q H 34 S+ 0 0 29 1,-0.2 -1,-0.3 2,-0.2 7,-0.2 0.703 107.2 45.7 -71.5 -20.5 41.1 12.3 14.4 104 113 A E H <4 S+ 0 0 8 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.578 112.3 51.0 -94.4 -15.8 44.8 11.7 14.3 105 114 A I H < S+ 0 0 4 -4,-0.9 -88,-0.3 -3,-0.2 -89,-0.3 0.868 131.3 16.0 -84.5 -43.5 44.4 8.2 15.7 106 115 A F S >< S+ 0 0 2 -4,-2.7 3,-2.2 -5,-0.1 4,-0.3 -0.571 70.1 163.3-129.3 67.4 41.8 7.3 13.1 107 116 A P G >> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.692 71.4 72.0 -60.0 -16.4 42.0 9.9 10.3 108 117 A D G 34 S+ 0 0 0 1,-0.2 112,-0.4 2,-0.2 5,-0.1 0.501 92.1 55.6 -77.8 -4.1 40.1 7.6 8.0 109 118 A K G <4 S+ 0 0 4 -3,-2.2 -1,-0.2 -6,-0.1 -6,-0.1 0.430 118.0 33.8-102.3 -4.8 36.9 8.3 10.1 110 119 A F T <4 S+ 0 0 4 -3,-1.0 -2,-0.2 -4,-0.3 36,-0.1 0.599 110.5 62.6-121.8 -25.2 37.3 12.0 9.5 111 120 A I S < S- 0 0 2 -4,-2.2 109,-0.4 109,-0.1 -1,-0.1 -0.867 91.5-102.8-107.3 137.3 38.8 12.3 6.0 112 121 A P >> - 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0 0 3 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 -0.354 28.0-137.5 -66.3 140.1 29.9 6.3 29.3 161 182 A S T 3 S+ 0 0 16 1,-0.3 130,-2.7 -5,-0.2 131,-0.2 0.677 102.6 59.6 -71.8 -18.4 26.5 4.6 29.4 162 183 A T T 3 S+ 0 0 23 128,-0.2 -1,-0.3 129,-0.1 2,-0.1 0.340 75.8 139.0 -90.6 7.2 28.0 1.5 31.0 163 184 A W < - 0 0 6 -3,-1.3 129,-0.2 1,-0.1 128,-0.2 -0.309 37.4-162.9 -58.9 123.4 29.2 3.5 34.0 164 185 A N > - 0 0 29 1,-0.1 4,-2.1 -2,-0.1 3,-0.4 -0.922 2.6-164.1-112.4 104.4 28.8 1.6 37.3 165 186 A P H > S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.811 87.5 50.6 -56.0 -41.7 29.0 4.1 40.2 166 187 A K H 4 S+ 0 0 148 2,-0.2 5,-0.1 1,-0.2 -2,-0.0 0.833 110.4 51.7 -70.5 -29.7 29.5 1.5 42.9 167 188 A Y H 4 S+ 0 0 66 -3,-0.4 -1,-0.2 1,-0.2 -4,-0.0 0.974 119.1 33.1 -68.4 -57.4 32.3 -0.1 41.0 168 189 A F H < S- 0 0 24 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.667 100.3-134.8 -72.7 -19.8 34.3 3.1 40.4 169 190 A G S < S+ 0 0 56 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.1 0.289 76.5 90.1 82.2 -12.0 33.3 4.5 43.7 170 191 A K - 0 0 29 -6,-0.2 2,-0.3 -5,-0.1 -2,-0.2 -0.886 67.1-139.4-118.9 148.7 32.5 7.9 42.0 171 192 A K - 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