==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 24-JUN-98 5HBI . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR W.E.ROYER JUNIOR . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 85.9 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 2 0 0 0 2 0 0 0 2 3 2 1 0 2 0 0 0 0 0 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 2 A S > 0 0 90 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 152.0 38.5 -21.5 23.5 2 3 A V H > + 0 0 9 141,-0.3 4,-2.9 1,-0.2 5,-0.2 0.885 360.0 55.2 -61.6 -39.3 36.4 -18.2 23.9 3 4 A Y H > S+ 0 0 133 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.887 109.5 44.9 -63.7 -34.7 33.5 -20.2 25.4 4 5 A D H > S+ 0 0 114 -3,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.948 113.6 50.3 -75.0 -40.9 35.7 -21.8 28.1 5 6 A A H >< S+ 0 0 20 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.921 109.3 51.6 -59.2 -43.8 37.3 -18.4 28.8 6 7 A A H >< S+ 0 0 9 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.859 101.3 62.5 -62.7 -33.6 33.8 -16.8 29.1 7 8 A A H 3< S+ 0 0 76 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.700 90.2 68.7 -66.1 -18.2 32.8 -19.5 31.6 8 9 A Q T << S+ 0 0 108 -3,-1.2 2,-1.9 -4,-0.7 -1,-0.3 0.571 72.2 96.8 -75.9 -6.9 35.5 -18.3 34.0 9 10 A L < - 0 0 16 -3,-1.7 -1,-0.1 -4,-0.2 2,-0.1 -0.611 63.9-178.7 -89.1 84.3 33.5 -15.1 34.5 10 11 A T > - 0 0 68 -2,-1.9 4,-2.9 1,-0.1 5,-0.3 -0.330 44.2 -90.1 -74.3 171.7 31.8 -16.2 37.7 11 12 A A H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.886 127.9 47.0 -49.9 -46.3 29.3 -14.3 39.8 12 13 A D H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 112.1 48.9 -66.3 -40.2 32.0 -12.7 41.9 13 14 A V H > S+ 0 0 16 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.961 111.9 49.7 -64.6 -48.3 34.2 -11.7 38.9 14 15 A K H X S+ 0 0 53 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.899 110.2 51.5 -58.4 -40.7 31.1 -10.2 37.2 15 16 A K H X S+ 0 0 121 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.935 110.9 46.7 -61.9 -47.6 30.3 -8.2 40.4 16 17 A D H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.867 111.0 53.0 -65.3 -35.0 33.8 -6.8 40.6 17 18 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.957 112.5 43.3 -63.9 -48.7 33.8 -5.9 37.0 18 19 A R H X S+ 0 0 81 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.927 113.2 51.8 -64.7 -43.3 30.5 -4.0 37.2 19 20 A D H X S+ 0 0 59 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.913 115.3 40.2 -62.8 -43.8 31.5 -2.2 40.5 20 21 A S H >X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 3,-0.8 0.908 111.6 57.3 -71.8 -38.1 34.9 -1.0 39.1 21 22 A W H 3X S+ 0 0 15 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.858 96.3 65.8 -60.5 -30.8 33.3 -0.1 35.7 22 23 A K H 3< S+ 0 0 166 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.918 112.1 33.5 -55.2 -41.1 30.9 2.1 37.6 23 24 A V H X< S+ 0 0 57 -4,-0.8 3,-1.2 -3,-0.8 4,-0.4 0.978 125.3 37.5 -83.0 -56.8 33.9 4.3 38.5 24 25 A I H >< S+ 0 0 7 -4,-2.4 3,-0.8 1,-0.3 7,-0.3 0.829 113.2 57.4 -71.9 -23.8 36.2 4.1 35.5 25 26 A G G >< S+ 0 0 4 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.3 0.689 89.1 76.1 -75.2 -15.6 33.4 4.1 33.0 26 27 A S G < S+ 0 0 100 -3,-1.2 2,-0.4 -4,-0.3 -1,-0.2 0.790 102.1 38.5 -70.3 -23.5 32.1 7.4 34.3 27 28 A D G <> + 0 0 76 -3,-0.8 4,-2.5 -4,-0.4 5,-0.5 -0.654 67.9 165.7-126.8 83.5 35.0 9.2 32.5 28 29 A K H <> S+ 0 0 35 -3,-0.5 4,-1.8 -2,-0.4 5,-0.3 0.917 76.8 45.9 -63.7 -44.3 35.5 7.5 29.2 29 30 A K H > S+ 0 0 62 3,-0.2 4,-2.5 2,-0.2 5,-0.3 0.971 117.7 42.1 -61.9 -52.0 37.6 10.3 27.6 30 31 A G H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.953 122.1 36.8 -64.6 -52.0 39.9 10.8 30.6 31 32 A N H X S+ 0 0 12 -4,-2.5 4,-2.6 -7,-0.3 -1,-0.2 0.800 115.0 56.6 -75.2 -28.0 40.4 7.1 31.6 32 33 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.5 -2,-0.2 0.955 111.0 42.2 -65.6 -49.8 40.5 6.0 28.0 33 34 A V H X S+ 0 0 9 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.915 113.4 54.9 -65.5 -38.8 43.4 8.4 27.1 34 35 A A H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.939 106.8 50.1 -57.6 -46.7 45.0 7.4 30.4 35 36 A L H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.935 114.1 45.4 -54.2 -49.5 44.9 3.7 29.5 36 37 A M H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.924 112.2 47.9 -66.9 -46.2 46.5 4.4 26.1 37 38 A T H X S+ 0 0 51 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.882 111.8 51.8 -66.8 -31.4 49.2 6.7 27.2 38 39 A T H X S+ 0 0 31 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.931 108.9 51.1 -67.9 -39.5 50.2 4.2 30.0 39 40 A L H X S+ 0 0 13 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.969 114.0 44.0 -58.1 -50.9 50.3 1.4 27.3 40 41 A F H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.4 45.4 -65.2 -39.4 52.6 3.6 25.2 41 42 A A H < S+ 0 0 60 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 0.923 121.6 37.3 -70.9 -40.6 54.9 4.7 28.0 42 43 A D H < S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.723 129.7 30.7 -85.6 -21.4 55.2 1.3 29.6 43 44 A N >< + 0 0 28 -4,-2.6 3,-2.7 -5,-0.3 4,-0.3 -0.465 66.7 169.1-138.3 64.6 55.3 -0.7 26.4 44 45 A Q G > + 0 0 137 -3,-0.5 3,-1.1 1,-0.3 4,-0.3 0.719 70.0 72.6 -52.8 -24.9 57.0 1.6 23.8 45 46 A E G 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.592 90.0 60.7 -68.2 -11.0 57.4 -1.3 21.4 46 47 A T G X> S+ 0 0 6 -3,-2.7 3,-1.2 -7,-0.2 4,-0.6 0.648 78.8 86.0 -89.4 -15.2 53.6 -1.2 20.7 47 48 A I G X4 S+ 0 0 59 -3,-1.1 3,-1.6 -4,-0.3 -1,-0.2 0.848 76.5 68.5 -57.2 -35.8 53.5 2.4 19.4 48 49 A G G >4 S+ 0 0 43 -4,-0.3 3,-1.1 1,-0.3 -1,-0.2 0.863 94.1 58.0 -50.2 -38.5 54.4 1.2 15.8 49 50 A Y G <4 S+ 0 0 95 -3,-1.2 3,-0.4 1,-0.3 -1,-0.3 0.780 99.1 58.8 -62.2 -28.7 51.0 -0.4 15.5 50 51 A F G X< + 0 0 50 -3,-1.6 3,-1.6 -4,-0.6 4,-0.3 0.052 64.4 131.8-100.6 34.1 49.2 2.8 16.2 51 52 A K G X + 0 0 154 -3,-1.1 3,-1.8 1,-0.3 -1,-0.2 0.852 64.1 61.6 -53.3 -43.1 50.8 4.5 13.2 52 53 A R G 3 S+ 0 0 95 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.807 94.7 62.7 -59.6 -26.8 47.4 5.9 12.0 53 54 A L G < S- 0 0 6 -3,-1.6 12,-0.3 1,-0.2 -1,-0.3 0.564 93.5-153.9 -79.5 -4.6 46.9 8.0 15.2 54 55 A G < + 0 0 51 -3,-1.8 2,-1.8 -4,-0.3 -1,-0.2 -0.427 63.0 18.2 74.3-137.3 50.0 10.1 14.5 55 56 A D > + 0 0 93 1,-0.2 3,-2.1 -2,-0.2 4,-0.2 -0.420 63.1 178.4 -76.3 82.2 51.9 11.7 17.4 56 57 A V G > S+ 0 0 12 -2,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.730 71.0 73.9 -59.9 -19.4 50.7 9.7 20.4 57 58 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.665 81.6 73.1 -67.9 -17.5 52.9 11.6 22.9 58 59 A Q G X S- 0 0 101 -3,-2.1 3,-1.7 1,-0.2 -1,-0.3 0.622 80.6-177.7 -71.8 -15.4 50.5 14.5 22.5 59 60 A G G X + 0 0 9 -3,-1.9 3,-2.1 1,-0.3 7,-0.3 -0.242 65.9 8.5 58.9-129.5 48.0 12.6 24.6 60 61 A M G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 6,-0.2 0.760 125.3 64.6 -54.7 -31.0 44.6 14.4 25.0 61 62 A A G < S+ 0 0 76 -3,-1.7 2,-0.9 1,-0.1 -1,-0.3 0.672 81.9 88.1 -69.6 -18.1 45.7 17.0 22.4 62 63 A N <> - 0 0 9 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 -0.751 65.6-161.7 -86.2 109.9 45.8 14.4 19.7 63 64 A D H > S+ 0 0 87 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.865 88.7 51.0 -61.2 -36.4 42.2 14.3 18.3 64 65 A K H > S+ 0 0 104 -11,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 112.4 46.6 -71.4 -38.1 42.7 10.9 16.6 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.923 112.7 50.2 -68.0 -41.1 44.0 9.4 19.9 66 67 A R H X S+ 0 0 23 -4,-2.8 4,-2.3 -7,-0.3 5,-0.2 0.957 113.0 46.6 -62.2 -46.0 41.1 11.0 21.9 67 68 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.938 114.1 47.8 -57.7 -49.5 38.6 9.6 19.3 68 69 A H H X S+ 0 0 31 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.905 111.9 50.2 -55.3 -49.2 40.2 6.1 19.5 69 70 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.889 109.2 49.2 -63.9 -42.6 40.3 6.1 23.3 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.959 112.5 49.8 -61.2 -48.1 36.6 7.1 23.8 71 72 A I H X S+ 0 0 26 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.866 106.9 54.5 -60.2 -36.0 35.7 4.3 21.3 72 73 A L H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.917 105.5 53.5 -64.4 -40.3 37.8 1.8 23.1 73 74 A M H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.852 105.5 53.4 -67.7 -29.8 35.9 2.6 26.4 74 75 A Y H X S+ 0 0 14 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.799 103.8 56.7 -71.6 -25.7 32.6 1.9 24.6 75 76 A A H X S+ 0 0 16 -4,-1.4 4,-2.3 -3,-0.4 -2,-0.2 0.925 109.8 44.8 -66.1 -42.0 34.0 -1.5 23.6 76 77 A L H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.936 110.9 53.9 -66.2 -41.3 34.6 -2.1 27.3 77 78 A Q H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.917 107.9 51.9 -53.5 -45.4 31.1 -0.7 28.1 78 79 A N H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.943 108.3 49.6 -59.3 -50.0 29.7 -3.2 25.5 79 80 A F H < S+ 0 0 13 -4,-2.3 4,-0.4 2,-0.2 3,-0.2 0.905 110.3 50.4 -57.0 -43.0 31.5 -6.2 27.2 80 81 A I H >< S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.951 109.5 51.3 -63.3 -43.6 30.1 -5.2 30.7 81 82 A D H 3< S+ 0 0 66 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.791 108.8 52.1 -68.1 -22.5 26.6 -5.0 29.2 82 83 A Q T >< S+ 0 0 20 -4,-1.5 3,-1.1 -3,-0.2 7,-0.5 0.443 77.4 100.8 -91.0 2.5 26.9 -8.5 27.7 83 84 A L T < S+ 0 0 4 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.1 0.816 76.7 58.1 -59.2 -32.6 28.1 -10.3 30.9 84 85 A D T 3 S+ 0 0 120 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.847 109.7 46.0 -63.5 -34.0 24.6 -11.7 31.6 85 86 A N X> - 0 0 49 -3,-1.1 4,-2.3 -4,-0.1 3,-1.1 -0.807 62.7-170.4-120.3 100.0 24.5 -13.5 28.2 86 87 A P H 3> S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.755 86.2 61.0 -55.6 -28.4 27.6 -15.4 27.2 87 88 A D H 3> S+ 0 0 102 2,-0.2 4,-1.5 1,-0.2 -5,-0.0 0.892 111.8 38.8 -69.7 -34.8 26.4 -16.0 23.6 88 89 A D H <> S+ 0 0 9 -3,-1.1 4,-2.0 2,-0.2 5,-0.3 0.882 112.4 55.8 -82.2 -38.5 26.3 -12.3 23.0 89 90 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 -7,-0.5 -2,-0.2 0.959 109.3 49.0 -57.2 -47.3 29.5 -11.6 24.9 90 91 A V H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.920 108.6 51.0 -63.0 -42.0 31.3 -14.1 22.6 91 92 A C H X S+ 0 0 7 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.874 114.2 43.6 -71.2 -28.5 30.0 -12.7 19.3 92 93 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.911 113.6 52.5 -77.3 -35.0 31.0 -9.1 20.2 93 94 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.967 109.8 49.1 -59.4 -50.5 34.4 -10.4 21.6 94 95 A E H X S+ 0 0 63 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.839 108.2 53.7 -60.1 -31.9 35.0 -12.2 18.3 95 96 A K H X S+ 0 0 29 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.2 0.963 112.7 42.6 -70.2 -47.7 34.1 -9.1 16.2 96 97 A F H X S+ 0 0 36 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.868 109.2 59.6 -66.1 -31.0 36.7 -7.0 18.1 97 98 A A H >X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.2 3,-1.2 0.944 101.7 54.1 -59.8 -43.7 39.2 -9.9 17.9 98 99 A V H 3X S+ 0 0 48 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.876 103.1 56.4 -57.4 -40.0 38.9 -9.7 14.1 99 100 A N H 3< S+ 0 0 31 -4,-1.4 4,-0.3 1,-0.2 -1,-0.3 0.767 114.5 39.5 -63.3 -26.2 39.9 -5.9 14.2 100 101 A H H X<>S+ 0 0 61 -3,-1.2 5,-2.4 -4,-1.0 3,-0.6 0.855 110.2 56.6 -93.0 -35.2 43.1 -6.9 16.1 101 102 A I H ><5S+ 0 0 80 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.930 106.7 52.0 -61.2 -42.2 43.9 -10.1 14.1 102 103 A T T 3<5S+ 0 0 100 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.761 109.0 50.0 -66.8 -22.7 43.9 -7.9 10.9 103 104 A R T < 5S- 0 0 125 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.236 119.5-116.3 -93.1 8.0 46.3 -5.5 12.7 104 105 A K T < 5 + 0 0 171 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.805 58.1 158.8 58.7 39.5 48.5 -8.6 13.5 105 106 A I < - 0 0 24 -5,-2.4 -1,-0.2 -8,-0.2 2,-0.1 -0.807 26.9-150.8 -93.8 119.7 48.0 -8.3 17.3 106 107 A S > - 0 0 51 -2,-0.6 4,-2.6 39,-0.1 5,-0.2 -0.374 27.7-105.6 -83.6 170.4 48.7 -11.6 19.1 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.924 121.9 52.4 -60.7 -42.8 47.1 -12.8 22.4 108 109 A A H 4 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.915 112.2 44.3 -61.1 -43.7 50.4 -12.1 24.1 109 110 A E H >4 S+ 0 0 46 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.877 110.4 53.8 -72.7 -33.7 50.6 -8.6 22.8 110 111 A F H >< S+ 0 0 37 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.892 99.6 65.0 -62.4 -36.2 46.9 -7.9 23.6 111 112 A G G >< S+ 0 0 15 -4,-2.1 3,-1.9 1,-0.3 4,-0.3 0.694 80.2 80.9 -60.2 -18.3 47.7 -9.1 27.1 112 113 A K G X S+ 0 0 57 -3,-1.2 3,-0.8 -4,-0.4 -1,-0.3 0.725 76.3 72.8 -66.0 -14.9 50.0 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