==== 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 23-JUN-93 4SDH . COMPND 2 MOLECULE: HEMOGLOBIN I (DEOXY); . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR W.E.ROYERJUNIOR . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 87.9 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 23.8 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 2 0 0 0 0 2 0 0 0 2 2 0 4 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 87 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 157.6 13.7 -11.6 24.2 2 3 A V H > + 0 0 10 141,-0.3 4,-2.5 1,-0.2 5,-0.2 0.868 360.0 52.5 -59.6 -40.5 11.6 -8.4 24.4 3 4 A Y H > S+ 0 0 134 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.879 111.3 45.6 -64.6 -38.9 8.7 -10.4 25.8 4 5 A D H 4 S+ 0 0 108 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.831 113.7 49.9 -68.6 -38.1 10.8 -11.9 28.6 5 6 A A H >< S+ 0 0 16 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.884 106.6 54.3 -68.3 -43.0 12.4 -8.5 29.3 6 7 A A H >< S+ 0 0 11 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.893 101.0 62.6 -60.8 -34.7 8.9 -6.9 29.6 7 8 A A T 3< S+ 0 0 72 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.725 89.3 68.6 -65.1 -17.4 8.1 -9.6 32.2 8 9 A Q T < S+ 0 0 99 -3,-1.2 2,-1.6 -4,-0.4 -1,-0.3 0.544 71.9 98.2 -77.4 -7.0 10.8 -8.2 34.5 9 10 A L < - 0 0 16 -3,-2.1 -1,-0.1 -4,-0.2 -3,-0.0 -0.681 63.6-175.9 -86.9 84.3 8.8 -5.0 35.0 10 11 A T > - 0 0 73 -2,-1.6 4,-2.8 1,-0.1 5,-0.2 -0.164 40.6 -89.8 -73.5 171.4 7.3 -6.1 38.4 11 12 A A H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.884 126.7 42.3 -50.5 -51.6 4.7 -4.2 40.4 12 13 A D H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.856 111.7 54.7 -73.7 -27.2 7.2 -2.2 42.4 13 14 A V H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.939 109.6 48.5 -66.5 -43.6 9.4 -1.5 39.4 14 15 A K H X S+ 0 0 57 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.911 112.5 48.8 -58.5 -45.4 6.4 -0.1 37.6 15 16 A K H X S+ 0 0 106 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.893 110.2 49.2 -61.8 -46.9 5.5 2.1 40.7 16 17 A D H X S+ 0 0 21 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.845 111.4 51.1 -63.9 -32.4 9.1 3.4 41.1 17 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.926 113.3 45.4 -66.4 -48.4 9.1 4.3 37.3 18 19 A R H X S+ 0 0 78 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 113.1 48.4 -60.8 -49.3 5.8 6.1 37.7 19 20 A D H X S+ 0 0 59 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.872 116.7 42.1 -59.8 -42.7 6.7 8.0 40.9 20 21 A S H >X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 3,-0.6 0.887 111.5 54.6 -74.1 -38.9 10.1 9.2 39.5 21 22 A W H 3X S+ 0 0 16 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.875 96.3 67.9 -65.3 -30.6 8.6 10.0 36.0 22 23 A K H 3< S+ 0 0 162 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.903 114.1 29.8 -56.1 -35.0 6.1 12.3 37.8 23 24 A V H X< S+ 0 0 61 -4,-0.7 3,-1.4 -3,-0.6 4,-0.3 0.955 124.3 44.1 -86.8 -56.6 9.0 14.5 38.7 24 25 A I H >< S+ 0 0 11 -4,-2.9 3,-1.3 1,-0.3 7,-0.3 0.889 111.9 52.5 -56.6 -44.4 11.4 13.9 35.8 25 26 A G T 3< S+ 0 0 8 -4,-2.8 3,-0.4 1,-0.2 -1,-0.3 0.483 90.1 83.1 -74.4 -1.5 8.7 14.2 33.1 26 27 A S T < S+ 0 0 99 -3,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.672 100.2 32.3 -69.3 -30.1 7.6 17.5 34.5 27 28 A D <> + 0 0 79 -3,-1.3 4,-2.3 -4,-0.3 5,-0.4 -0.740 69.5 170.1-134.3 83.2 10.3 19.4 32.7 28 29 A K H > S+ 0 0 32 -3,-0.4 4,-2.1 -2,-0.3 5,-0.2 0.894 77.6 48.5 -63.9 -40.2 10.9 17.6 29.4 29 30 A K H > S+ 0 0 69 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.967 116.3 40.4 -65.9 -49.1 13.0 20.3 27.9 30 31 A G H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.949 122.8 38.1 -69.4 -44.5 15.3 20.8 30.9 31 32 A N H X S+ 0 0 12 -4,-2.3 4,-2.2 -7,-0.3 -1,-0.2 0.838 115.2 54.8 -74.0 -31.7 15.7 17.1 31.9 32 33 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.4 -1,-0.2 0.901 112.6 43.0 -66.7 -46.1 15.8 16.0 28.3 33 34 A V H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.893 111.8 54.6 -66.6 -38.4 18.7 18.4 27.6 34 35 A A H X S+ 0 0 30 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.902 107.3 51.2 -59.1 -44.2 20.4 17.4 30.8 35 36 A L H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.934 112.6 44.4 -56.5 -55.5 20.3 13.7 29.8 36 37 A M H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.923 113.1 50.0 -60.0 -45.0 21.9 14.4 26.4 37 38 A T H X S+ 0 0 51 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.896 111.6 49.8 -63.2 -37.6 24.6 16.7 27.7 38 39 A T H X S+ 0 0 28 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.892 110.1 50.0 -65.7 -44.9 25.5 14.1 30.4 39 40 A L H X S+ 0 0 13 -4,-2.4 4,-2.7 1,-0.2 7,-0.2 0.931 112.6 47.2 -58.1 -49.0 25.7 11.3 27.7 40 41 A F H < S+ 0 0 6 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.836 115.7 45.7 -63.1 -33.6 28.0 13.5 25.6 41 42 A A H < S+ 0 0 65 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.887 121.2 35.9 -72.5 -49.9 30.1 14.4 28.6 42 43 A D H < S+ 0 0 71 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.729 131.0 30.0 -78.9 -26.0 30.4 10.9 30.0 43 44 A N >< + 0 0 36 -4,-2.7 3,-2.4 -5,-0.3 -1,-0.2 -0.576 62.5 167.5-140.9 71.2 30.6 9.1 26.6 44 45 A Q G > S+ 0 0 129 -3,-0.4 3,-1.7 1,-0.3 4,-0.4 0.696 72.8 73.2 -55.0 -28.5 32.2 11.4 24.1 45 46 A E G > S+ 0 0 104 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.712 88.5 62.6 -61.2 -21.6 32.5 8.4 21.8 46 47 A T G X S+ 0 0 6 -3,-2.4 3,-1.2 -7,-0.2 4,-0.4 0.597 79.2 83.9 -81.1 -11.7 28.7 8.7 21.2 47 48 A I G X S+ 0 0 46 -3,-1.7 3,-2.0 1,-0.3 -1,-0.2 0.836 77.1 69.1 -58.8 -37.6 28.9 12.2 19.7 48 49 A G G X S+ 0 0 41 -3,-0.5 3,-1.0 -4,-0.4 -1,-0.3 0.784 92.3 58.2 -51.3 -37.0 29.7 10.7 16.3 49 50 A Y G < S+ 0 0 103 -3,-1.2 3,-0.3 1,-0.2 -1,-0.3 0.720 104.7 53.9 -66.9 -22.4 26.1 9.3 16.0 50 51 A F G X + 0 0 44 -3,-2.0 3,-1.7 -4,-0.4 4,-0.4 -0.014 62.7 129.4-104.7 30.4 24.8 12.8 16.4 51 52 A K G X + 0 0 175 -3,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.784 68.2 64.3 -52.2 -37.2 26.7 14.6 13.6 52 53 A R G 3 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.802 91.8 65.8 -58.2 -31.3 23.4 16.1 12.3 53 54 A L G < S- 0 0 5 -3,-1.7 12,-0.4 1,-0.2 2,-0.3 0.630 92.3-149.7 -69.7 -12.1 22.9 18.0 15.6 54 55 A G < + 0 0 50 -3,-1.5 2,-1.4 -4,-0.4 -1,-0.2 -0.567 64.3 9.3 79.7-145.0 25.9 20.3 15.0 55 56 A N > - 0 0 91 -2,-0.3 3,-1.8 1,-0.2 4,-0.1 -0.618 62.4-175.9 -82.0 92.9 27.8 21.6 18.0 56 57 A V G > S+ 0 0 14 -2,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.628 74.2 75.1 -63.1 -17.9 26.3 19.7 20.9 57 58 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.706 79.8 73.2 -73.1 -14.8 28.4 21.7 23.5 58 59 A Q G X S- 0 0 108 -3,-1.8 3,-1.6 1,-0.2 -1,-0.3 0.629 81.1-177.7 -70.6 -18.5 26.1 24.6 22.9 59 60 A G G X + 0 0 10 -3,-1.5 3,-2.4 1,-0.3 7,-0.3 -0.241 64.6 9.7 59.1-129.2 23.5 22.7 24.9 60 61 A M G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.759 125.7 63.1 -54.0 -28.9 20.1 24.5 25.2 61 62 A A G < S+ 0 0 70 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.556 81.0 89.4 -75.2 -11.4 21.2 27.1 22.6 62 63 A N <> - 0 0 21 -3,-2.4 4,-2.6 1,-0.2 5,-0.1 -0.833 66.4-159.3 -92.1 112.0 21.5 24.4 19.9 63 64 A D H > S+ 0 0 82 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.843 89.6 50.4 -59.7 -41.4 18.0 24.3 18.3 64 65 A K H > S+ 0 0 96 -11,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.879 111.9 47.0 -65.7 -42.6 18.6 20.8 16.8 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.9 2,-0.2 5,-0.2 0.915 113.0 50.5 -62.8 -44.8 19.8 19.4 20.1 66 67 A R H X S+ 0 0 19 -4,-2.6 4,-2.3 -7,-0.3 5,-0.2 0.934 110.5 48.0 -57.2 -49.3 16.9 21.0 21.9 67 68 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.910 114.4 47.1 -60.8 -43.3 14.3 19.6 19.4 68 69 A H H X S+ 0 0 26 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.922 112.2 49.5 -62.9 -47.5 15.9 16.1 19.8 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.883 111.1 48.4 -59.3 -44.9 16.0 16.2 23.6 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-0.8 -5,-0.2 3,-0.3 0.940 113.0 48.7 -61.9 -49.3 12.4 17.3 23.9 71 72 A T H >X S+ 0 0 44 -4,-2.1 3,-1.0 1,-0.2 4,-0.9 0.864 103.6 59.3 -59.2 -41.7 11.3 14.6 21.6 72 73 A L H >X S+ 0 0 39 -4,-2.7 4,-1.7 1,-0.2 3,-1.1 0.902 100.7 57.7 -52.7 -42.1 13.3 11.9 23.4 73 74 A M H 3X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.783 100.1 57.4 -64.3 -24.8 11.3 12.6 26.5 74 75 A Y H < S+ 0 0 7 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.915 111.8 49.4 -52.0 -46.9 6.8 3.8 27.6 80 81 A I H >< S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.3 4,-0.2 0.910 108.7 53.4 -61.6 -41.6 5.5 4.9 31.0 81 82 A D H 3< S+ 0 0 60 -4,-2.6 3,-0.4 1,-0.3 -1,-0.3 0.729 107.5 51.8 -64.0 -26.4 1.9 5.1 29.6 82 83 A Q T X< S+ 0 0 17 -4,-1.3 3,-1.1 -3,-0.8 7,-0.6 0.316 77.7 102.1 -90.2 2.7 2.2 1.5 28.2 83 84 A L T < S+ 0 0 6 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.788 75.1 58.5 -59.5 -31.0 3.2 0.0 31.6 84 85 A D T 3 S+ 0 0 122 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.765 108.8 46.5 -65.9 -31.6 -0.3 -1.3 32.3 85 86 A N X> - 0 0 58 -3,-1.1 4,-2.7 1,-0.1 3,-0.7 -0.870 62.7-168.7-122.1 102.2 -0.4 -3.4 29.1 86 87 A P H 3> S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.807 90.6 57.1 -54.4 -36.6 2.7 -5.5 28.3 87 88 A D H 3> S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.870 111.2 42.1 -63.1 -42.4 1.4 -6.2 24.8 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-2.1 -6,-0.2 5,-0.3 0.884 113.2 53.2 -70.1 -42.6 1.2 -2.5 24.1 89 90 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 -7,-0.6 -2,-0.2 0.931 110.0 48.3 -59.2 -43.8 4.6 -1.8 25.7 90 91 A V H X S+ 0 0 8 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.965 111.1 48.1 -65.8 -44.0 6.2 -4.4 23.6 91 92 A C H X S+ 0 0 5 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.825 113.7 48.4 -66.1 -30.9 4.8 -3.2 20.3 92 93 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.855 111.9 49.6 -73.3 -32.9 5.8 0.4 21.1 93 94 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.961 111.8 47.4 -70.1 -44.4 9.3 -0.7 22.1 94 95 A E H X S+ 0 0 63 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.921 111.8 50.8 -64.9 -39.7 9.8 -2.7 18.9 95 96 A K H >X S+ 0 0 47 -4,-1.8 4,-0.5 -5,-0.3 3,-0.5 0.934 111.3 48.3 -59.8 -48.3 8.5 0.3 16.9 96 97 A F H 3X S+ 0 0 46 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.863 106.4 59.0 -59.6 -36.8 11.0 2.6 18.7 97 98 A A H 3X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 3,-0.4 0.832 85.8 78.4 -66.8 -32.2 13.8 0.1 18.0 98 99 A V H S+ 0 0 40 -4,-0.8 5,-2.5 -3,-0.4 4,-0.3 0.901 109.6 49.0 -68.7 -36.9 17.9 2.7 16.3 101 102 A I H ><5S+ 0 0 83 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.918 108.5 54.4 -65.2 -40.6 18.6 -0.6 14.6 102 103 A T H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.811 107.8 50.2 -62.5 -32.3 18.9 1.3 11.3 103 104 A R T 3<5S- 0 0 108 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.415 116.4-116.3 -85.2 -3.4 21.5 3.6 12.9 104 105 A K T < 5 + 0 0 164 -3,-1.6 2,-0.8 -4,-0.3 -3,-0.2 0.835 56.0 160.2 72.4 34.6 23.5 0.6 14.1 105 106 A I < - 0 0 20 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.840 26.6-154.2 -87.5 118.1 22.9 1.4 17.8 106 107 A S > - 0 0 51 -2,-0.8 4,-2.5 -3,-0.1 5,-0.2 -0.332 29.6-102.0 -86.4 170.4 23.6 -1.9 19.6 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.872 124.1 50.8 -54.0 -44.9 22.2 -3.0 23.0 108 109 A A H 4 S+ 0 0 79 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.889 111.1 47.8 -64.7 -38.6 25.6 -2.1 24.6 109 110 A E H >4 S+ 0 0 39 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.939 112.2 48.7 -65.8 -47.8 25.7 1.3 23.0 110 111 A F H >< S+ 0 0 35 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.853 100.8 65.7 -58.7 -38.7 22.1 2.1 24.0 111 112 A G G >< S+ 0 0 15 -4,-2.0 3,-1.5 1,-0.3 4,-0.3 0.594 80.0 82.2 -62.3 -13.6 22.8 0.9 27.6 112 113 A K G X S+ 0 0 58 -3,-1.3 3,-0.9 -4,-0.3 -1,-0.3 0.747 76.4 71.9 -66.2 -19.7 25.2 3.9 27.9 113 114 A I G <> S+ 0 0 28 -3,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.713 78.0 78.7 -68.2 -19.6 22.1 6.0 28.7 114 115 A N H <> S+ 0 0 44 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.827 90.1 51.6 -55.4 -43.5 21.9 4.4 32.1 115 116 A G H <> S+ 0 0 33 -3,-0.9 4,-2.5 -4,-0.3 -1,-0.2 0.980 111.8 46.4 -57.8 -59.1 24.7 6.6 33.6 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.894 113.0 50.3 -52.7 -41.1 23.0 9.8 32.4 117 118 A I H X S+ 0 0 17 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.937 109.9 49.7 -65.5 -45.1 19.6 8.6 33.7 118 119 A K H X S+ 0 0 93 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.904 112.0 48.6 -57.9 -43.8 21.1 7.8 37.1 119 120 A K H X S+ 0 0 111 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.882 111.5 48.1 -64.7 -42.1 22.7 11.2 37.3 120 121 A V H X S+ 0 0 9 -4,-2.5 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3,-1.3 -3,-0.4 4,-0.5 0.892 110.5 54.7 -68.3 -42.4 14.6 -1.7 24.7 142 143 A Q H >< S+ 0 0 49 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.842 100.7 59.6 -61.1 -31.4 18.0 -3.4 24.7 143 144 A A H 3< S+ 0 0 40 -4,-1.5 -141,-0.3 1,-0.3 -1,-0.3 0.707 105.4 50.8 -64.6 -24.7 16.3 -6.7 24.2 144 145 A A H << 0 0 22 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.504 360.0 360.0 -92.8 -10.5 14.8 -5.3 20.9 145 146 A L << 0 0 64 -3,-1.2 -39,-0.1 -4,-0.5 -38,-0.1 -0.575 360.0 360.0 -86.7 360.0 18.1 -4.1 19.5 146 !* 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 0.0 147 2 B S > 0 0 111 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -55.4 9.5 29.2 6.8 148 3 B V H > + 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.884 360.0 58.4 -71.1 -38.5 8.2 27.1 9.7 149 4 B Y H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 105.0 50.7 -56.3 -42.1 8.1 30.2 11.9 150 5 B D H 4 S+ 0 0 125 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.880 111.6 45.5 -64.1 -39.8 5.7 31.8 9.4 151 6 B A H >< S+ 0 0 20 -4,-1.5 3,-1.9 1,-0.2 4,-0.3 0.896 108.5 57.0 -70.4 -39.7 3.4 28.9 9.3 152 7 B A H >< S+ 0 0 10 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.876 93.8 70.8 -60.2 -29.6 3.6 28.8 13.1 153 8 B A T 3< S+ 0 0 70 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.684 87.1 64.6 -59.4 -17.3 2.3 32.4 13.0 154 9 B Q T < S+ 0 0 107 -3,-1.9 2,-1.8 -4,-0.3 -1,-0.3 0.552 75.0 94.8 -80.8 -10.7 -1.1 31.2 11.9 155 10 B L < - 0 0 15 -3,-2.2 -1,-0.1 -4,-0.3 2,-0.1 -0.657 64.7-179.1 -84.7 83.1 -1.6 29.4 15.2 156 11 B T > - 0 0 72 -2,-1.8 4,-2.9 1,-0.1 5,-0.3 -0.248 45.6 -94.2 -74.8 169.7 -3.5 32.3 16.8 157 12 B A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.873 127.5 49.8 -57.6 -37.1 -4.8 32.2 20.3 158 13 B D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 110.9 49.0 -68.6 -41.8 -8.2 31.0 19.1 159 14 B V H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.927 111.0 50.5 -60.3 -50.3 -6.6 28.2 17.0 160 15 B K H X S+ 0 0 39 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.877 110.0 50.6 -57.7 -37.9 -4.4 27.2 20.0 161 16 B K H X S+ 0 0 113 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.912 110.1 48.7 -68.2 -40.1 -7.4 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23.2 172 27 B S T < S+ 0 0 94 -3,-1.8 -1,-0.2 1,-0.3 2,-0.2 0.498 102.2 35.0 -84.7 -7.7 -7.2 10.6 26.1 173 28 B D S <> S+ 0 0 81 -3,-1.1 4,-2.6 -4,-0.3 5,-0.4 -0.635 70.9 168.5-139.6 78.5 -7.4 7.3 24.0 174 29 B K H > S+ 0 0 33 -3,-0.4 4,-2.4 -2,-0.2 5,-0.3 0.886 77.6 46.0 -61.9 -41.5 -4.1 7.3 22.1 175 30 B K H > S+ 0 0 63 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.968 116.8 42.5 -68.8 -51.5 -4.4 3.7 21.0 176 31 B G H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.949 122.8 37.9 -60.8 -51.0 -8.1 3.9 19.9 177 32 B N H X S+ 0 0 6 -4,-2.6 4,-2.4 -7,-0.3 -1,-0.2 0.873 114.8 53.8 -71.9 -36.4 -7.8 7.3 18.1 178 33 B G H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.4 -1,-0.2 0.911 112.9 44.2 -64.1 -46.7 -4.3 6.7 16.7 179 34 B V H X S+ 0 0 9 -4,-2.4 4,-3.4 -5,-0.3 5,-0.3 0.934 111.4 52.8 -64.4 -45.0 -5.5 3.4 15.1 180 35 B A H X S+ 0 0 33 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.921 109.5 51.4 -56.6 -37.9 -8.8 5.1 13.8 181 36 B L H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.959 113.1 43.4 -60.6 -55.4 -6.5 7.8 12.2 182 37 B M H X S+ 0 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4,-0.3 0.727 78.3 75.7 -71.7 -18.6 -0.6 5.7 1.2 193 48 B I G X S+ 0 0 63 -3,-2.0 3,-2.3 -4,-0.3 -1,-0.2 0.816 77.4 79.8 -58.6 -27.9 -0.1 2.0 2.1 194 49 B G G X S+ 0 0 67 -3,-1.1 3,-0.6 -4,-0.3 -1,-0.3 0.838 91.4 48.1 -46.3 -37.0 2.8 2.1 -0.2 195 50 B Y G < S+ 0 0 102 -3,-1.6 -1,-0.3 -4,-0.2 3,-0.2 0.595 106.1 60.5 -84.9 -8.8 5.0 3.7 2.5 196 51 B F G X + 0 0 43 -3,-2.3 3,-1.7 -4,-0.3 4,-0.4 -0.113 54.7 125.7-110.8 29.6 3.9 1.2 5.2 197 52 B K G X S+ 0 0 188 -3,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.866 71.1 65.1 -54.0 -35.8 5.1 -2.1 3.8 198 53 B R G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.811 92.5 62.8 -58.3 -28.0 7.0 -2.7 7.0 199 54 B L G < S- 0 0 7 -3,-1.7 12,-0.4 1,-0.2 2,-0.3 0.641 90.9-159.9 -75.4 -13.3 3.7 -2.8 9.0 200 55 B G < + 0 0 52 -3,-1.8 2,-2.0 -4,-0.4 -1,-0.2 -0.491 62.7 22.2 75.5-136.8 2.5 -5.9 7.1 201 56 B N > + 0 0 86 -2,-0.3 3,-2.2 1,-0.2 4,-0.2 -0.479 62.2 173.5 -75.0 80.7 -1.2 -6.7 7.0 202 57 B V G > + 0 0 21 -2,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.634 69.9 77.6 -62.1 -16.4 -2.7 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1,-0.3 -2,-0.1 0.780 75.7 52.4 -60.2 -31.2 2.0 25.6 21.4 230 85 B D T 3 S+ 0 0 112 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.576 105.7 56.6 -81.8 -7.6 2.9 28.6 23.7 231 86 B N X> - 0 0 59 -3,-1.7 4,-2.5 1,-0.2 3,-1.3 -0.761 62.2-172.0-129.8 92.9 6.6 28.7 22.8 232 87 B P H 3> S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.781 86.3 58.6 -49.6 -38.4 7.1 29.1 19.0 233 88 B D H 3> S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.879 111.7 39.9 -62.5 -39.5 10.8 28.6 19.3 234 89 B D H <> S+ 0 0 7 -3,-1.3 4,-2.3 2,-0.2 5,-0.2 0.857 113.6 54.8 -75.4 -40.4 10.3 25.1 20.9 235 90 B L H X S+ 0 0 2 -4,-2.5 4,-2.9 -7,-0.5 5,-0.2 0.954 109.6 47.4 -56.6 -51.8 7.4 24.3 18.5 236 91 B V H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.926 111.3 49.2 -60.3 -42.7 9.6 25.0 15.5 237 92 B C H X S+ 0 0 6 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.888 113.2 47.0 -66.8 -33.6 12.5 23.0 16.8 238 93 B V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.882 112.8 50.3 -73.0 -39.2 10.3 19.9 17.5 239 94 B V H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.926 111.8 46.3 -65.0 -45.2 8.6 20.2 14.1 240 95 B E H X S+ 0 0 89 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.923 112.7 50.9 -63.8 -35.5 11.9 20.4 12.2 241 96 B K H >X S+ 0 0 50 -4,-1.9 3,-0.6 -5,-0.2 4,-0.6 0.931 111.3 49.2 -64.7 -45.6 13.2 17.4 14.3 242 97 B F H 3X S+ 0 0 47 -4,-2.5 4,-0.7 1,-0.2 3,-0.3 0.830 107.0 55.7 -58.6 -43.2 10.0 15.5 13.4 243 98 B A H 3X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.764 85.8 81.3 -67.4 -27.5 10.3 16.3 9.7 244 99 B V H S+ 0 0 36 -4,-0.7 5,-2.4 -3,-0.3 -1,-0.2 0.790 108.4 47.9 -71.7 -34.8 9.7 12.2 6.9 247 102 B I H ><5S+ 0 0 85 -4,-2.5 3,-1.9 -3,-0.4 -2,-0.2 0.868 108.6 55.5 -69.0 -42.1 11.9 14.0 4.4 248 103 B T H 3<5S+ 0 0 102 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.841 105.9 51.5 -56.9 -34.7 14.2 11.0 4.3 249 104 B R T 3<5S- 0 0 92 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.307 116.4-119.0 -84.8 2.4 11.2 8.8 3.3 250 105 B K T < 5 + 0 0 174 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.790 54.9 160.4 60.8 40.1 10.4 11.3 0.6 251 106 B I < - 0 0 22 -5,-2.4 -1,-0.2 4,-0.1 2,-0.1 -0.821 27.5-150.5 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34.6 -18.4 15.6 17.9 272 127 B F < - 0 0 29 -5,-2.9 -1,-0.2 -8,-0.1 -2,-0.2 -0.932 38.1-152.2-103.2 112.3 -15.7 18.2 17.1 273 128 B G >> - 0 0 41 -2,-0.7 4,-1.8 -3,-0.1 3,-1.2 0.214 35.8 -68.5 -73.8-173.2 -17.0 20.2 14.1 274 129 B D H 3> S+ 0 0 101 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.784 125.4 66.6 -50.5 -37.5 -15.5 22.1 11.2 275 130 B K H 3> S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.903 107.3 41.7 -50.6 -45.6 -14.2 24.8 13.6 276 131 B Y H <> S+ 0 0 48 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.904 110.1 54.6 -73.6 -42.9 -11.9 22.1 15.0 277 132 B A H X S+ 0 0 12 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.906 107.6 52.5 -60.5 -37.2 -10.8 20.5 11.8 278 133 B N H X S+ 0 0 98 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.892 107.5 51.7 -62.1 -42.3 -9.7 23.9 10.5 279 134 B A H X S+ 0 0 4 -4,-1.3 4,-1.5 -5,-0.2 3,-0.2 0.946 111.5 46.6 -58.5 -47.3 -7.6 24.4 13.6 280 135 B W H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.877 106.0 58.4 -64.1 -35.8 -5.9 21.0 13.1 281 136 B A H X S+ 0 0 32 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.867 104.1 53.3 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