==== 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 1HMD . COMPND 2 MOLECULE: HEMERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THEMISTE DYSCRITUM; . AUTHOR M.A.HOLMES,I.LETRONG,S.TURLEY,L.C.SIEKER,R.E.STENKAMP . 452 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 76.1 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 . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 58.8 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 0 111 0, 0.0 3,-0.0 0, 0.0 430,-0.0 0.000 360.0 360.0 360.0 124.3 7.2 37.5 20.0 2 2 A F - 0 0 64 94,-0.1 98,-0.1 1,-0.1 97,-0.1 -0.728 360.0 -92.4 -98.5 153.4 6.7 36.7 16.4 3 3 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.285 33.1-127.2 -61.1 146.1 4.4 38.7 14.2 4 4 A I - 0 0 61 -3,-0.0 92,-0.1 1,-0.0 4,-0.1 -0.901 30.3-121.6 -96.4 114.1 0.8 37.5 13.8 5 5 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 94,-0.0 -0.187 21.8-130.7 -58.6 148.3 -0.1 37.2 10.1 6 6 A D S S+ 0 0 139 1,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.899 102.9 37.4-144.9 112.7 -3.0 39.2 8.8 7 7 A P S S- 0 0 93 0, 0.0 2,-2.0 0, 0.0 -1,-0.3 0.568 112.2-118.3 -62.0 151.3 -4.9 37.7 7.2 8 8 A Y + 0 0 1 -2,-0.2 2,-0.3 21,-0.1 25,-0.2 -0.533 68.0 130.1 -70.5 82.0 -4.3 34.9 9.7 9 9 A a - 0 0 57 -2,-2.0 2,-0.2 23,-0.1 17,-0.1 -0.902 63.8 -93.1-137.6 154.2 -2.9 32.4 7.2 10 10 A W - 0 0 46 -2,-0.3 2,-0.3 16,-0.2 16,-0.0 -0.476 41.9-174.9 -63.7 144.3 0.2 30.2 6.9 11 11 A D > - 0 0 63 -2,-0.2 3,-1.9 -6,-0.0 4,-0.1 -0.869 42.4 -96.2-133.6 172.3 3.2 31.7 5.0 12 12 A I G > S+ 0 0 112 -2,-0.3 3,-1.4 1,-0.3 -2,-0.0 0.583 114.0 76.4 -69.9 -8.9 6.5 30.1 4.0 13 13 A S G 3 S+ 0 0 56 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.670 91.7 57.8 -69.5 -18.0 8.2 31.6 7.2 14 14 A F G < S+ 0 0 1 -3,-1.9 -1,-0.3 8,-0.0 -2,-0.2 0.456 78.1 134.3 -89.5 -4.3 6.4 28.8 9.0 15 15 A R < - 0 0 97 -3,-1.4 4,-0.1 1,-0.2 -3,-0.0 -0.249 31.9-179.7 -54.1 133.4 8.0 26.1 6.9 16 16 A T - 0 0 1 2,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.555 44.6-120.2-103.2 -16.8 9.4 23.1 8.9 17 17 A F S S+ 0 0 103 1,-0.2 2,-0.7 93,-0.1 208,-0.1 0.375 86.7 108.0 85.2 3.4 10.6 21.3 5.8 18 18 A Y > - 0 0 31 1,-0.2 4,-2.6 114,-0.1 -2,-0.3 -0.947 60.0-158.4-104.4 103.2 8.4 18.3 6.6 19 19 A T H > S+ 0 0 63 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.885 88.7 50.8 -59.0 -40.3 5.7 18.7 3.8 20 20 A I H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 112.6 47.5 -63.1 -42.7 3.1 16.6 5.7 21 21 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.939 112.2 48.7 -60.9 -51.4 3.6 18.8 8.8 22 22 A D H X S+ 0 0 10 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.865 110.8 51.1 -56.5 -46.0 3.4 22.0 6.8 23 23 A D H X S+ 0 0 85 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.896 111.6 47.9 -62.2 -39.6 0.2 20.9 5.0 24 24 A E H >X S+ 0 0 15 -4,-2.3 4,-1.1 1,-0.2 3,-0.9 0.893 106.8 56.6 -66.9 -38.6 -1.4 20.1 8.4 25 25 A H H >X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.3 3,-0.8 0.889 98.5 60.8 -57.9 -40.5 -0.3 23.4 9.8 26 26 A K H 3X S+ 0 0 83 -4,-1.7 4,-2.1 1,-0.3 -1,-0.3 0.819 101.5 54.8 -53.6 -33.3 -2.1 25.2 7.0 27 27 A T H S- 0 0 65 -2,-1.8 4,-2.4 -6,-0.1 5,-0.2 -0.787 70.3-100.7-126.8 176.7 -19.6 28.9 16.2 41 41 A A H > S+ 0 0 70 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.868 116.9 55.7 -64.6 -41.9 -19.7 25.1 16.7 42 42 A D H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 111.5 43.4 -57.2 -52.6 -19.0 24.3 13.0 43 43 A H H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 114.8 49.2 -61.1 -42.3 -15.8 26.4 13.0 44 44 A L H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.923 109.8 51.9 -65.3 -43.6 -14.7 25.0 16.4 45 45 A N H X S+ 0 0 106 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.891 109.7 50.8 -53.2 -49.8 -15.4 21.4 15.3 46 46 A E H X S+ 0 0 77 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.938 114.9 41.0 -56.3 -51.6 -13.2 22.0 12.2 47 47 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 -16,-0.3 5,-0.2 0.916 114.8 51.6 -62.3 -48.6 -10.3 23.4 14.1 48 48 A R H X S+ 0 0 76 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.863 111.3 47.7 -58.8 -42.0 -10.6 20.8 16.9 49 49 A R H X S+ 0 0 134 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.957 114.7 45.5 -62.5 -54.5 -10.6 17.9 14.4 50 50 A C H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.849 114.8 48.5 -58.9 -37.4 -7.6 19.3 12.5 51 51 A T H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.919 111.2 48.6 -66.0 -49.2 -5.7 20.0 15.8 52 52 A G H X S+ 0 0 22 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.919 116.4 44.2 -57.0 -47.6 -6.4 16.6 17.3 53 53 A K H X S+ 0 0 78 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.920 114.5 47.3 -65.5 -49.1 -5.2 14.9 14.1 54 54 A H H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.957 111.2 51.1 -60.9 -50.3 -2.2 17.1 13.5 55 55 A F H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.894 112.5 46.9 -54.7 -43.4 -1.0 16.7 17.1 56 56 A L H X S+ 0 0 92 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.936 113.1 47.4 -67.1 -44.3 -1.3 12.9 16.9 57 57 A N H X S+ 0 0 49 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.867 113.3 48.1 -61.9 -43.1 0.5 12.6 13.6 58 58 A E H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.916 110.5 51.8 -67.9 -35.7 3.3 14.9 14.7 59 59 A Q H X S+ 0 0 12 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.878 108.6 51.8 -64.1 -40.5 3.6 12.9 17.9 60 60 A Q H X S+ 0 0 103 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.890 108.3 51.2 -65.3 -41.1 3.9 9.8 15.8 61 61 A L H X S+ 0 0 49 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.894 109.8 50.2 -60.9 -42.3 6.6 11.3 13.7 62 62 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-1.1 0.914 109.9 50.4 -60.0 -47.5 8.5 12.3 16.9 63 63 A Q H ><5S+ 0 0 106 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.776 95.8 70.4 -65.1 -29.9 8.2 8.7 18.3 64 64 A S H 3<5S+ 0 0 105 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 111.6 31.1 -64.0 -20.8 9.5 7.1 15.1 65 65 A S T <<5S- 0 0 68 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.107 113.1-115.4-117.2 12.5 13.0 8.5 15.8 66 66 A Q T < 5 - 0 0 179 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.871 40.3-153.0 50.1 44.7 12.6 8.3 19.6 67 67 A Y > < - 0 0 32 -5,-2.5 3,-1.6 1,-0.2 4,-0.2 -0.238 10.8-139.4 -47.8 126.8 12.9 12.1 19.7 68 68 A A T 3 S+ 0 0 105 1,-0.3 3,-0.3 -3,-0.2 -1,-0.2 0.677 98.5 54.5 -67.7 -21.6 14.2 13.2 23.1 69 69 A G T 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.341 75.0 108.0 -96.6 12.1 11.8 16.2 23.3 70 70 A Y H <> S+ 0 0 56 -3,-1.6 4,-3.0 1,-0.2 5,-0.3 0.881 74.1 51.4 -53.2 -53.6 8.7 14.1 22.9 71 71 A A H > S+ 0 0 68 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.916 113.0 44.1 -56.0 -49.3 7.3 14.3 26.4 72 72 A E H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.867 115.8 48.7 -62.8 -40.3 7.6 18.1 26.7 73 73 A H H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.888 108.9 51.4 -67.7 -45.0 6.1 18.6 23.2 74 74 A K H X S+ 0 0 68 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.897 107.6 54.6 -57.7 -42.0 3.2 16.3 23.8 75 75 A K H X S+ 0 0 124 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.909 106.3 50.9 -60.3 -42.5 2.4 18.2 27.0 76 76 A A H X S+ 0 0 24 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.894 112.3 47.7 -59.2 -45.5 2.3 21.5 25.1 77 77 A H H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.939 109.6 51.3 -60.0 -50.0 -0.1 19.9 22.6 78 78 A D H X S+ 0 0 65 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.825 106.5 55.7 -59.4 -37.1 -2.4 18.4 25.3 79 79 A D H X S+ 0 0 71 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.862 108.2 48.3 -66.7 -36.4 -2.6 21.8 27.0 80 80 A F H X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.877 108.3 52.7 -70.9 -42.0 -3.9 23.4 23.8 81 81 A I H X S+ 0 0 28 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.920 106.2 55.5 -55.7 -44.3 -6.5 20.7 23.2 82 82 A H H X S+ 0 0 106 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.888 106.4 50.7 -52.7 -42.7 -7.7 21.4 26.7 83 83 A K H < S+ 0 0 65 -4,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.836 111.2 47.4 -63.0 -43.8 -8.2 25.0 25.8 84 84 A L H >< S+ 0 0 4 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.841 110.9 52.1 -67.2 -34.2 -10.1 24.0 22.7 85 85 A D H 3< S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.501 117.9 37.3 -78.0 -12.2 -12.2 21.6 24.8 86 86 A T T 3< S- 0 0 76 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 -0.225 91.5-179.0-124.8 34.3 -13.1 24.4 27.3 87 87 A W < + 0 0 47 -3,-1.0 -3,-0.1 1,-0.1 -4,-0.1 -0.144 19.3 176.5 -48.7 127.9 -13.3 27.1 24.5 88 88 A D - 0 0 123 -5,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.194 55.4-103.1-114.3 2.8 -14.1 30.5 25.9 89 89 A G + 0 0 22 1,-0.2 2,-2.0 2,-0.0 3,-0.2 0.524 68.6 149.2 82.6 12.5 -13.9 32.3 22.5 90 90 A D > + 0 0 70 1,-0.2 4,-1.4 2,-0.1 3,-0.2 -0.530 10.9 166.8 -80.1 82.7 -10.4 33.9 23.1 91 91 A V H > S+ 0 0 23 -2,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.772 70.8 61.8 -66.8 -30.2 -9.3 33.9 19.4 92 92 A T H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 102.6 50.2 -65.0 -41.9 -6.4 36.2 20.3 93 93 A Y H > S+ 0 0 95 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.901 112.3 47.3 -57.3 -53.2 -4.9 33.6 22.6 94 94 A A H X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.917 109.3 53.3 -59.1 -43.7 -5.2 30.9 19.8 95 95 A K H X S+ 0 0 41 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.901 116.3 39.6 -57.7 -43.8 -3.7 33.2 17.1 96 96 A N H X S+ 0 0 82 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.859 111.6 57.1 -68.3 -50.0 -0.7 33.8 19.3 97 97 A W H X S+ 0 0 37 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.908 108.4 46.2 -50.6 -51.7 -0.4 30.2 20.6 98 98 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.908 112.1 48.7 -64.8 -46.0 -0.1 28.7 17.2 99 99 A V H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.915 116.5 42.8 -56.8 -52.4 2.5 31.2 15.8 100 100 A N H X>S+ 0 0 64 -4,-2.3 4,-2.0 2,-0.2 5,-0.5 0.862 112.0 55.5 -63.0 -40.5 4.7 30.8 18.9 101 101 A H H X>S+ 0 0 4 -4,-2.4 5,-2.3 -5,-0.3 4,-2.0 0.946 112.1 40.6 -57.3 -55.2 4.2 27.0 19.0 102 102 A I H <>S+ 0 0 0 -4,-2.3 5,-1.8 3,-0.2 -2,-0.2 0.980 118.4 45.5 -58.4 -57.7 5.4 26.4 15.5 103 103 A K H <5S+ 0 0 33 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.696 128.8 23.0 -65.9 -20.2 8.3 28.9 15.5 104 104 A T H <5S+ 0 0 2 -4,-2.0 4,-0.4 -5,-0.2 -3,-0.2 0.827 132.6 27.3-113.8 -39.5 9.7 27.8 18.9 105 105 A I T < S+ 0 0 0 -3,-1.5 3,-2.3 -4,-0.4 4,-0.7 0.575 76.6 123.0 -85.6 -9.8 12.6 19.1 16.2 110 110 A R T <4 S+ 0 0 96 -3,-1.0 -93,-0.1 -4,-0.5 -3,-0.0 -0.284 82.8 9.9 -56.8 126.9 13.9 20.0 12.7 111 111 A G T 34 S+ 0 0 57 20,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.265 117.6 77.9 86.3 -6.5 16.7 17.7 11.7 112 112 A K T <4 0 0 128 -3,-2.3 -2,-0.2 1,-0.0 -44,-0.1 0.445 360.0 360.0-107.9 -12.8 16.0 15.3 14.6 113 113 A I < 0 0 11 -4,-0.7 -3,-0.1 -46,-0.1 -49,-0.1 0.323 360.0 360.0-133.3 360.0 13.0 13.5 13.3 114 !* 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 0 116 0, 0.0 99,-0.0 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 109.6 31.1 21.1 -10.7 116 2 B F - 0 0 77 94,-0.1 98,-0.1 1,-0.1 97,-0.1 -0.688 360.0-101.3-109.2 149.9 31.4 19.9 -7.1 117 3 B P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.167 32.3-122.2 -61.7 151.8 34.2 18.5 -5.0 118 4 B I - 0 0 61 4,-0.0 92,-0.1 95,-0.0 4,-0.0 -0.883 28.3-123.0 -98.6 120.9 34.4 14.8 -4.4 119 5 B P - 0 0 20 0, 0.0 94,-0.0 0, 0.0 5,-0.0 -0.308 25.9-129.5 -62.3 144.4 34.4 14.0 -0.7 120 6 B D S S+ 0 0 143 1,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.934 101.1 37.9-137.0 115.8 37.4 12.0 0.5 121 7 B P S S- 0 0 97 0, 0.0 2,-1.7 0, 0.0 -1,-0.2 0.639 113.0-115.3 -65.9 154.2 36.8 9.5 2.1 122 8 B Y + 0 0 1 -2,-0.2 2,-0.3 25,-0.1 25,-0.3 -0.528 69.0 128.3 -71.4 86.7 33.9 9.0 -0.2 123 9 B a - 0 0 58 -2,-1.7 17,-0.1 23,-0.1 -3,-0.0 -0.946 63.8 -91.7-144.5 149.0 31.1 9.3 2.2 124 10 B W - 0 0 49 -2,-0.3 2,-0.3 16,-0.2 16,-0.0 -0.334 42.3-175.1 -58.3 149.2 27.9 11.3 2.5 125 11 B D > - 0 0 63 -2,-0.0 3,-2.1 1,-0.0 4,-0.1 -0.925 41.9 -97.5-141.3 169.9 28.1 14.7 4.3 126 12 B I G > S+ 0 0 111 -2,-0.3 3,-1.6 1,-0.3 -2,-0.0 0.659 112.6 77.2 -68.7 -8.0 25.5 17.3 5.3 127 13 B S G 3 S+ 0 0 56 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.677 93.0 55.4 -70.4 -15.2 26.2 19.4 2.2 128 14 B F G < S+ 0 0 2 -3,-2.1 -1,-0.3 8,-0.0 -2,-0.2 0.454 77.7 133.4 -94.2 -5.9 24.1 16.7 0.4 129 15 B R < - 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0 0 176 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.890 39.9-148.5 51.6 43.0 45.6 28.5 29.4 409 67 D Y > < - 0 0 26 -5,-2.9 3,-1.5 1,-0.1 4,-0.2 -0.175 8.1-142.9 -45.5 125.6 42.9 25.8 29.2 410 68 D A T 3 S+ 0 0 105 1,-0.3 3,-0.3 -3,-0.2 -1,-0.1 0.755 97.7 51.9 -66.5 -27.5 43.1 23.9 26.0 411 69 D G T 3> S+ 0 0 27 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.172 77.1 109.3 -96.5 21.8 39.3 23.6 25.6 412 70 D Y H <> S+ 0 0 53 -3,-1.5 4,-3.4 1,-0.2 5,-0.3 0.881 72.6 52.3 -60.8 -49.0 38.6 27.4 26.0 413 71 D A H > S+ 0 0 70 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.943 112.2 43.9 -60.5 -49.6 37.6 28.2 22.5 414 72 D E H > S+ 0 0 152 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.858 116.0 50.4 -63.5 -32.0 35.0 25.5 22.2 415 73 D H H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.910 107.9 50.4 -72.4 -42.4 33.7 26.4 25.6 416 74 D K H X S+ 0 0 70 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.891 107.3 56.3 -62.0 -37.8 33.4 30.2 25.0 417 75 D K H X S+ 0 0 111 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.927 106.3 49.0 -59.7 -41.4 31.5 29.4 21.8 418 76 D A H X S+ 0 0 27 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.903 113.0 48.2 -67.4 -40.2 28.9 27.4 23.8 419 77 D H H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.931 109.4 52.8 -63.1 -48.8 28.5 30.2 26.3 420 78 D D H X S+ 0 0 66 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.885 106.7 52.2 -59.2 -40.9 28.2 32.8 23.6 421 79 D D H X S+ 0 0 71 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.891 109.4 49.4 -65.8 -36.9 25.3 30.9 21.9 422 80 D F H X S+ 0 0 3 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.868 109.0 52.0 -70.9 -37.5 23.4 30.7 25.1 423 81 D I H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.887 107.9 53.4 -59.8 -46.3 23.8 34.5 25.7 424 82 D H H X S+ 0 0 106 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.934 106.2 52.7 -56.9 -43.8 22.5 35.0 22.2 425 83 D K H < S+ 0 0 65 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.878 110.7 46.8 -58.0 -44.3 19.4 32.9 23.1 426 84 D L H >< S+ 0 0 5 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.850 108.8 54.4 -68.9 -31.8 18.8 35.1 26.2 427 85 D D H 3< S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.651 118.7 36.1 -73.4 -16.5 19.2 38.3 24.2 428 86 D T T 3< S- 0 0 78 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 -0.294 92.0-170.8-125.4 41.6 16.5 37.0 21.8 429 87 D W < - 0 0 43 -3,-1.2 -3,-0.1 1,-0.2 -4,-0.1 -0.100 14.9-176.3 -43.3 125.6 14.4 35.3 24.5 430 88 D D - 0 0 42 -5,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.289 48.5-108.5-109.1 3.9 11.6 33.1 22.9 431 89 D G S S+ 0 0 29 1,-0.2 2,-1.8 -430,-0.0 3,-0.2 0.439 71.3 143.1 82.4 1.9 9.9 32.1 26.2 432 90 D D > + 0 0 14 1,-0.2 4,-1.4 2,-0.1 3,-0.3 -0.507 15.2 166.1 -81.4 88.9 11.2 28.5 25.9 433 91 D V H > S+ 0 0 25 -2,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.770 73.2 61.3 -68.2 -34.2 11.9 27.7 29.5 434 92 D T H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 102.8 50.1 -60.3 -45.9 12.2 24.0 28.7 435 93 D Y H > S+ 0 0 73 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.891 112.2 48.2 -54.1 -52.8 15.1 24.6 26.4 436 94 D A H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.898 109.4 51.2 -59.3 -45.0 16.8 26.6 29.1 437 95 D K H X S+ 0 0 42 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.902 116.5 42.3 -59.6 -46.0 16.3 24.0 31.8 438 96 D N H X S+ 0 0 70 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.890 110.4 56.6 -63.6 -49.1 17.8 21.4 29.6 439 97 D W H X S+ 0 0 36 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.884 108.6 45.6 -54.7 -48.8 20.6 23.6 28.3 440 98 D L H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.887 111.2 51.1 -66.5 -45.0 22.0 24.3 31.7 441 99 D V H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.950 116.4 40.6 -55.5 -51.9 21.9 20.7 33.0 442 100 D N H X>S+ 0 0 80 -4,-2.3 4,-1.6 1,-0.2 5,-0.5 0.860 112.1 57.0 -66.4 -40.1 23.7 19.4 30.0 443 101 D H H X>S+ 0 0 4 -4,-2.3 5,-2.3 -5,-0.3 4,-1.2 0.940 111.6 40.4 -58.8 -50.5 26.1 22.3 29.8 444 102 D I H <>S+ 0 0 0 -4,-2.4 5,-1.9 3,-0.2 -2,-0.2 0.976 118.7 45.5 -62.2 -51.5 27.4 21.8 33.4 445 103 D K H <5S+ 0 0 35 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.589 127.9 24.2 -75.5 -12.1 27.5 18.0 33.2 446 104 D T H X5S+ 0 0 45 -4,-1.6 4,-0.5 -3,-0.2 -3,-0.2 0.808 132.9 24.8-116.3 -50.5 29.2 17.7 29.8 447 105 D I T <44 S+ 0 0 0 -3,-1.9 3,-2.5 -4,-0.4 4,-0.7 0.488 77.6 125.5 -84.9 -5.2 37.7 21.4 32.7 452 110 D R T <4 S+ 0 0 96 -3,-1.2 -93,-0.1 -4,-0.4 -3,-0.0 -0.325 82.6 8.3 -58.4 128.1 37.8 19.7 36.1 453 111 D G T 34 S+ 0 0 74 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.423 117.2 79.0 82.3 1.3 41.4 19.2 37.3 454 112 D K T <4 0 0 126 -3,-2.5 -2,-0.2 -45,-0.0 -44,-0.1 0.475 360.0 360.0-116.4 -10.2 42.8 21.3 34.4 455 113 D I < 0 0 38 -4,-0.7 -3,-0.1 -46,-0.1 -47,-0.1 0.346 360.0 360.0-132.3 360.0 42.1 24.8 35.7