==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 18-OCT-90 2HMZ . COMPND 2 MOLECULE: HEMERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THEMISTE DYSCRITUM; . AUTHOR M.A.HOLMES,R.E.STENKAMP . 452 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 76.5 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 . 0 0.0 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 . 0 0.0 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 . 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 . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 0 0 0 0 0 0 0 0 0 4 0 4 0 0 4 0 0 0 0 4 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 108 0, 0.0 3,-0.1 0, 0.0 430,-0.0 0.000 360.0 360.0 360.0 113.4 7.3 37.4 20.0 2 2 A F - 0 0 66 94,-0.1 98,-0.1 1,-0.1 97,-0.1 -0.623 360.0 -98.3 -93.6 152.7 6.6 36.6 16.4 3 3 A P - 0 0 98 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.354 33.8-126.0 -60.0 143.9 4.4 38.7 14.2 4 4 A I - 0 0 58 -3,-0.1 92,-0.1 -2,-0.0 4,-0.1 -0.910 31.2-119.5 -93.7 115.1 0.8 37.4 13.8 5 5 A P - 0 0 21 0, 0.0 94,-0.0 0, 0.0 5,-0.0 -0.183 23.2-129.9 -57.1 147.1 0.0 37.1 10.1 6 6 A D S S+ 0 0 143 1,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.934 102.6 36.8-143.5 112.5 -2.8 39.1 8.7 7 7 A P S S- 0 0 92 0, 0.0 2,-2.2 0, 0.0 -1,-0.3 0.597 110.1-121.1 -62.8 156.3 -4.7 37.6 7.1 8 8 A Y + 0 0 1 -2,-0.2 2,-0.3 21,-0.1 25,-0.3 -0.492 68.5 121.8 -77.5 80.4 -4.2 34.8 9.5 9 9 A a - 0 0 56 -2,-2.2 2,-0.1 23,-0.1 17,-0.1 -0.867 68.8 -85.1-138.8 158.1 -3.0 32.2 7.1 10 10 A W - 0 0 46 -2,-0.3 2,-0.3 16,-0.2 16,-0.0 -0.408 43.0-173.2 -60.3 145.2 0.1 30.1 6.8 11 11 A D > - 0 0 62 -2,-0.1 3,-2.3 -6,-0.0 4,-0.1 -0.904 41.1 -97.9-133.7 170.4 3.1 31.6 5.1 12 12 A I G > S+ 0 0 110 -2,-0.3 3,-1.7 1,-0.3 -2,-0.0 0.628 112.7 77.2 -68.9 -8.4 6.5 30.1 4.1 13 13 A S G 3 S+ 0 0 58 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.704 91.6 57.4 -68.2 -20.4 8.2 31.5 7.2 14 14 A F G < S+ 0 0 1 -3,-2.3 -1,-0.3 8,-0.0 -2,-0.2 0.336 79.1 136.4 -89.1 1.0 6.4 28.7 9.1 15 15 A R < + 0 0 97 -3,-1.7 4,-0.1 1,-0.2 -3,-0.0 -0.268 31.1 179.6 -56.6 132.7 8.0 26.1 6.9 16 16 A T - 0 0 1 2,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.553 43.2-121.0-104.2 -16.6 9.4 23.1 8.8 17 17 A F S S+ 0 0 102 1,-0.2 2,-0.8 93,-0.1 208,-0.1 0.316 86.2 108.3 84.6 -0.5 10.7 21.2 5.7 18 18 A Y > - 0 0 29 1,-0.2 4,-2.7 114,-0.1 -2,-0.2 -0.895 59.2-160.2-104.2 104.7 8.4 18.3 6.5 19 19 A T H > S+ 0 0 61 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.880 88.0 49.6 -58.9 -44.0 5.8 18.6 3.8 20 20 A I H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 113.9 47.5 -63.2 -42.3 3.1 16.5 5.5 21 21 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.925 110.7 50.6 -62.0 -53.2 3.6 18.6 8.7 22 22 A D H X S+ 0 0 10 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.882 109.5 51.4 -52.7 -46.1 3.5 21.9 6.8 23 23 A D H X S+ 0 0 84 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.877 111.5 47.6 -61.2 -39.3 0.2 20.8 5.0 24 24 A E H >X S+ 0 0 13 -4,-1.9 4,-1.0 -5,-0.2 3,-0.7 0.924 107.3 56.2 -66.8 -42.1 -1.3 20.0 8.4 25 25 A H H >X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 3,-0.9 0.886 99.9 59.9 -58.0 -34.6 -0.1 23.3 9.8 26 26 A K H 3X S+ 0 0 84 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.857 101.5 55.0 -58.3 -38.5 -2.0 25.2 7.0 27 27 A T H S- 0 0 65 -2,-1.7 4,-2.3 1,-0.0 5,-0.1 -0.782 71.3 -96.2-127.9-178.0 -19.6 28.9 16.2 41 41 A A H > S+ 0 0 68 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.829 117.2 54.8 -69.8 -41.2 -19.7 25.1 16.6 42 42 A D H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 111.5 44.2 -57.9 -51.9 -18.9 24.3 13.0 43 43 A H H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 114.6 49.8 -62.6 -42.8 -15.7 26.4 13.0 44 44 A L H X S+ 0 0 33 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.917 109.1 51.3 -61.4 -49.5 -14.7 25.0 16.3 45 45 A N H X S+ 0 0 101 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.889 110.1 51.3 -49.5 -46.9 -15.3 21.4 15.3 46 46 A E H X S+ 0 0 77 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.950 114.2 41.0 -58.3 -51.0 -13.2 22.0 12.2 47 47 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -16,-0.2 -1,-0.2 0.917 115.4 51.8 -62.5 -46.5 -10.3 23.4 14.1 48 48 A R H X S+ 0 0 77 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.891 111.2 47.0 -61.3 -41.3 -10.6 20.8 16.9 49 49 A R H X S+ 0 0 131 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.950 115.1 45.7 -64.6 -52.2 -10.6 17.9 14.4 50 50 A C H X S+ 0 0 5 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.863 114.3 48.5 -61.5 -38.9 -7.6 19.2 12.5 51 51 A T H X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.936 111.2 48.4 -66.5 -47.9 -5.7 20.0 15.7 52 52 A G H X S+ 0 0 24 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 116.5 44.4 -58.7 -44.3 -6.3 16.5 17.3 53 53 A K H X S+ 0 0 81 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.919 114.2 48.6 -67.2 -47.3 -5.2 14.8 14.1 54 54 A H H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.934 110.9 50.5 -60.3 -50.0 -2.2 17.1 13.6 55 55 A F H X S+ 0 0 5 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.927 112.8 46.6 -55.8 -43.4 -1.0 16.6 17.2 56 56 A L H X S+ 0 0 92 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.939 113.9 47.2 -69.1 -41.5 -1.3 12.8 17.0 57 57 A N H X S+ 0 0 51 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.886 113.2 47.7 -62.4 -45.5 0.5 12.7 13.6 58 58 A E H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.908 111.3 52.1 -66.4 -34.0 3.3 15.0 14.8 59 59 A Q H X S+ 0 0 11 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.915 108.3 51.1 -63.7 -42.4 3.6 12.9 17.9 60 60 A Q H X S+ 0 0 108 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.893 108.4 51.0 -65.1 -44.2 3.9 9.8 15.8 61 61 A L H X S+ 0 0 48 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.876 110.7 49.7 -56.8 -42.2 6.7 11.3 13.7 62 62 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.9 0.919 110.7 49.5 -60.0 -50.1 8.5 12.3 16.9 63 63 A Q H ><5S+ 0 0 104 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.773 97.8 68.6 -60.1 -33.4 8.2 8.7 18.3 64 64 A A H 3<5S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.754 112.3 31.8 -62.8 -24.9 9.5 7.1 15.0 65 65 A S T <<5S- 0 0 66 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.131 112.2-116.5-113.8 14.6 12.9 8.6 15.7 66 66 A Q T < 5 - 0 0 178 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.896 40.4-153.6 49.9 43.8 12.6 8.3 19.6 67 67 A Y > < - 0 0 31 -5,-2.6 3,-1.6 1,-0.1 4,-0.2 -0.245 11.5-139.4 -51.3 126.7 12.8 12.1 19.7 68 68 A A T 3 S+ 0 0 105 1,-0.3 3,-0.4 -3,-0.2 -1,-0.1 0.787 99.0 54.2 -63.4 -26.7 14.2 13.3 23.1 69 69 A G T 3> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.333 76.1 109.9 -94.3 14.4 11.8 16.2 23.4 70 70 A Y H <> S+ 0 0 53 -3,-1.6 4,-3.3 1,-0.2 5,-0.3 0.895 73.3 49.0 -53.8 -52.4 8.7 14.1 22.9 71 71 A A H > S+ 0 0 66 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.948 114.2 44.1 -62.0 -45.4 7.3 14.3 26.4 72 72 A E H > S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 115.3 49.7 -66.5 -38.9 7.5 18.0 26.7 73 73 A H H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.938 108.7 51.5 -67.2 -45.0 6.2 18.5 23.2 74 74 A K H X S+ 0 0 67 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.910 107.4 54.7 -58.4 -40.7 3.2 16.2 23.9 75 75 A K H X S+ 0 0 116 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.908 105.4 51.6 -61.0 -43.4 2.4 18.1 27.0 76 76 A A H X S+ 0 0 25 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.917 112.6 47.1 -58.5 -44.1 2.2 21.5 25.1 77 77 A H H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.961 110.1 51.5 -60.5 -49.2 -0.2 19.8 22.6 78 78 A D H X S+ 0 0 68 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.835 106.4 54.8 -59.9 -39.6 -2.4 18.4 25.3 79 79 A D H X S+ 0 0 64 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.868 108.8 48.3 -62.9 -39.6 -2.6 21.8 27.0 80 80 A F H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.875 107.9 53.5 -70.6 -38.6 -3.9 23.3 23.8 81 81 A I H X S+ 0 0 26 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.924 107.3 53.8 -54.6 -46.6 -6.5 20.5 23.2 82 82 A H H X S+ 0 0 105 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.906 107.2 50.7 -54.4 -42.3 -7.7 21.3 26.7 83 83 A K H >< S+ 0 0 67 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.874 111.6 46.8 -64.1 -41.6 -8.1 24.9 25.8 84 84 A L H >< S+ 0 0 4 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.889 110.6 53.0 -67.1 -35.4 -10.1 23.9 22.7 85 85 A D H 3< S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.550 116.7 38.1 -74.9 -11.5 -12.2 21.6 24.8 86 86 A T T << S- 0 0 74 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 -0.199 91.2-178.4-123.2 33.9 -13.0 24.4 27.2 87 87 A W < + 0 0 45 -3,-1.3 -3,-0.1 1,-0.1 -4,-0.0 -0.187 17.4 175.8 -49.5 123.8 -13.3 27.0 24.4 88 88 A D - 0 0 124 -5,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.179 54.9-102.5-109.5 -0.7 -14.1 30.5 25.9 89 89 A G + 0 0 25 1,-0.2 2,-1.8 2,-0.0 3,-0.2 0.490 69.3 147.2 84.6 14.6 -13.9 32.3 22.5 90 90 A D > + 0 0 68 1,-0.2 4,-1.5 2,-0.1 3,-0.2 -0.555 11.3 166.3 -85.2 85.9 -10.4 33.9 23.0 91 91 A V H > S+ 0 0 24 -2,-1.8 4,-2.9 1,-0.2 5,-0.2 0.755 71.9 62.7 -67.2 -34.4 -9.3 33.9 19.4 92 92 A T H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 103.0 48.3 -60.9 -43.2 -6.4 36.2 20.2 93 93 A Y H > S+ 0 0 95 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.876 112.6 49.0 -59.1 -50.8 -4.9 33.6 22.5 94 94 A A H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 5,-0.3 0.911 109.0 52.1 -57.4 -47.6 -5.3 30.9 19.8 95 95 A K H X S+ 0 0 43 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.931 115.6 41.3 -57.1 -43.0 -3.7 33.1 17.1 96 96 A N H X S+ 0 0 80 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.849 111.6 55.9 -68.6 -47.2 -0.7 33.8 19.3 97 97 A W H X S+ 0 0 40 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.916 108.6 46.9 -54.2 -48.2 -0.4 30.2 20.6 98 98 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.941 111.9 48.8 -64.3 -48.0 -0.2 28.6 17.2 99 99 A V H X S+ 0 0 1 -4,-1.5 4,-2.4 -5,-0.3 5,-0.2 0.943 116.4 43.9 -57.4 -48.6 2.4 31.1 15.8 100 100 A N H X>S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.2 5,-0.6 0.882 110.8 54.0 -64.1 -39.5 4.6 30.6 18.9 101 101 A H H X>S+ 0 0 5 -4,-2.6 5,-2.7 -5,-0.2 4,-1.7 0.930 113.9 41.0 -64.0 -44.4 4.2 26.8 19.0 102 102 A I H <>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.2 -2,-0.2 0.980 117.7 44.8 -68.3 -50.9 5.3 26.3 15.5 103 103 A K H <5S+ 0 0 33 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.707 130.1 21.7 -73.9 -15.6 8.2 28.8 15.5 104 104 A T H <5S+ 0 0 4 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.821 133.5 28.0-117.9 -30.1 9.6 27.8 18.9 105 105 A I T >< S+ 0 0 0 -3,-1.8 3,-2.5 -4,-0.4 4,-0.7 0.568 77.4 121.7 -84.5 -12.8 12.4 19.0 16.1 110 110 A R T <4 S+ 0 0 94 -3,-0.9 -93,-0.1 -4,-0.5 -3,-0.0 -0.282 83.2 11.4 -54.7 125.8 13.8 19.9 12.6 111 111 A G T 34 S+ 0 0 58 20,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.270 118.2 76.8 87.8 -7.2 16.7 17.6 11.6 112 112 A K T <4 0 0 125 -3,-2.5 -2,-0.2 1,-0.0 -44,-0.1 0.420 360.0 360.0-111.2 -12.2 15.9 15.3 14.5 113 113 A I < 0 0 10 -4,-0.7 -3,-0.1 -46,-0.1 -47,-0.1 0.346 360.0 360.0-131.7 360.0 12.9 13.4 13.2 114 !* 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 0.0 115 1 B G 0 0 108 0, 0.0 95,-0.0 0, 0.0 99,-0.0 0.000 360.0 360.0 360.0 112.3 31.0 20.6 -10.8 116 2 B F - 0 0 75 94,-0.2 98,-0.1 1,-0.1 97,-0.1 -0.541 360.0 -92.5-107.5 158.3 31.5 19.7 -7.1 117 3 B P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.208 34.9-123.4 -63.3 149.0 34.2 18.3 -4.9 118 4 B I - 0 0 59 95,-0.0 92,-0.1 4,-0.0 4,-0.1 -0.906 30.1-122.6 -96.8 116.9 34.5 14.6 -4.3 119 5 B P - 0 0 19 0, 0.0 94,-0.0 0, 0.0 5,-0.0 -0.285 24.7-125.0 -59.2 146.9 34.4 13.9 -0.6 120 6 B D S S+ 0 0 148 1,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.944 102.0 35.8-133.3 115.1 37.4 12.0 0.7 121 7 B P S S- 0 0 97 0, 0.0 2,-2.1 0, 0.0 -1,-0.2 0.602 109.0-118.6 -66.0 155.7 36.7 9.4 2.3 122 8 B Y + 0 0 1 -2,-0.2 2,-0.3 25,-0.1 25,-0.3 -0.461 69.8 120.7 -73.8 76.4 33.8 8.8 -0.1 123 9 B a - 0 0 55 -2,-2.1 2,-0.1 23,-0.1 17,-0.1 -0.909 69.4 -84.2-137.0 158.0 30.9 9.0 2.3 124 10 B W - 0 0 44 -2,-0.3 2,-0.3 16,-0.2 16,-0.0 -0.358 42.8-170.7 -57.2 148.0 27.9 11.1 2.6 125 11 B D > - 0 0 60 -2,-0.1 3,-2.1 1,-0.0 4,-0.1 -0.904 39.7-100.4-135.1 169.8 28.2 14.5 4.3 126 12 B I G > S+ 0 0 109 -2,-0.3 3,-1.9 1,-0.3 -2,-0.0 0.675 111.6 77.8 -70.0 -7.7 25.6 17.1 5.3 127 13 B S G 3 S+ 0 0 58 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.754 92.5 56.5 -69.8 -15.3 26.3 19.2 2.2 128 14 B F G < S+ 0 0 1 -3,-2.1 -1,-0.3 8,-0.0 -2,-0.2 0.392 77.4 135.3 -94.2 1.1 24.2 16.6 0.4 129 15 B R < - 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0 0 178 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.916 39.5-149.0 52.6 43.4 45.5 28.4 29.4 409 67 D Y > < - 0 0 28 -5,-2.8 3,-1.6 -6,-0.1 4,-0.2 -0.228 8.9-142.9 -46.8 125.1 42.8 25.7 29.2 410 68 D A T 3 S+ 0 0 108 1,-0.3 3,-0.3 -3,-0.2 -1,-0.1 0.765 98.0 53.6 -65.5 -25.8 43.0 23.8 25.9 411 69 D G T 3> S+ 0 0 28 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.245 76.9 107.9 -93.9 15.9 39.2 23.6 25.6 412 70 D Y H <> S+ 0 0 52 -3,-1.6 4,-3.3 1,-0.2 5,-0.3 0.872 72.4 51.8 -57.7 -53.0 38.6 27.3 26.0 413 71 D A H > S+ 0 0 69 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.917 112.7 44.8 -58.0 -48.6 37.6 28.2 22.5 414 72 D E H > S+ 0 0 155 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 115.5 49.4 -62.7 -35.5 34.9 25.5 22.2 415 73 D H H X S+ 0 0 3 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.925 108.2 51.7 -71.4 -44.7 33.6 26.4 25.7 416 74 D K H X S+ 0 0 67 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.904 106.7 55.7 -60.3 -36.4 33.4 30.1 25.0 417 75 D K H X S+ 0 0 117 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.937 106.4 49.2 -61.8 -43.2 31.4 29.3 21.8 418 76 D A H X S+ 0 0 26 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.861 113.1 48.2 -63.1 -43.5 28.8 27.3 23.8 419 77 D H H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.943 110.2 51.1 -60.9 -50.7 28.5 30.2 26.3 420 78 D D H X S+ 0 0 68 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.862 107.6 53.0 -61.4 -37.7 28.1 32.8 23.6 421 79 D D H X S+ 0 0 63 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.885 108.6 49.5 -65.2 -40.0 25.4 30.9 21.9 422 80 D F H X S+ 0 0 4 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.900 108.2 53.0 -70.6 -35.6 23.4 30.7 25.1 423 81 D I H X S+ 0 0 27 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.904 107.5 53.2 -60.3 -44.5 23.8 34.4 25.7 424 82 D H H X S+ 0 0 102 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.921 105.8 52.9 -59.7 -42.9 22.4 34.9 22.2 425 83 D K H < S+ 0 0 69 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.867 111.8 45.8 -59.5 -41.0 19.4 32.7 23.1 426 84 D L H >< S+ 0 0 5 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.825 108.7 54.6 -71.7 -31.8 18.7 34.9 26.2 427 85 D D H 3< S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.651 119.0 35.9 -73.6 -16.8 19.1 38.2 24.2 428 86 D T T 3< S- 0 0 82 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 -0.333 92.9-171.6-121.8 36.9 16.5 36.8 21.8 429 87 D W < - 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