==== 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 05-FEB-96 1SPG . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEIOSTOMUS XANTHURUS; . AUTHOR S.E.MYLVAGANAM,E.D.GETZOFF . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 78.8 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 0 1 0 0 1 0 1 0 1 1 2 0 1 4 1 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 1 A S 0 0 140 0, 0.0 2,-0.2 0, 0.0 129,-0.1 0.000 360.0 360.0 360.0 145.8 6.3 18.2 1.5 2 2 A L - 0 0 25 73,-0.1 2,-0.2 127,-0.1 124,-0.0 -0.557 360.0-144.5 -76.6 136.9 9.5 19.0 -0.4 3 3 A S > - 0 0 50 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.585 30.1-103.5 -94.1 169.5 11.9 21.2 1.6 4 4 A A H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.882 126.5 54.7 -63.0 -33.9 14.0 23.8 -0.2 5 5 A T H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 106.3 51.2 -59.6 -49.0 16.9 21.4 0.2 6 6 A D H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.911 110.7 48.4 -55.3 -47.0 14.9 18.7 -1.5 7 7 A K H X S+ 0 0 48 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.941 108.9 53.5 -61.7 -44.4 14.1 21.0 -4.4 8 8 A A H X S+ 0 0 59 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.813 110.2 47.9 -60.0 -34.3 17.8 22.0 -4.7 9 9 A R H X S+ 0 0 80 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.876 110.9 49.0 -75.5 -39.2 18.8 18.3 -4.9 10 10 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.908 110.4 53.3 -65.8 -38.3 16.2 17.5 -7.5 11 11 A K H X S+ 0 0 86 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.901 108.5 47.8 -64.1 -44.0 17.3 20.5 -9.5 12 12 A A H X S+ 0 0 68 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.927 115.1 46.3 -63.5 -44.3 21.0 19.5 -9.5 13 13 A L H >X S+ 0 0 13 -4,-2.1 4,-2.2 2,-0.2 3,-0.8 0.986 112.9 48.1 -61.0 -58.5 20.1 15.9 -10.6 14 14 A W H 3X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.881 109.5 51.9 -49.6 -48.1 17.6 16.9 -13.4 15 15 A D H 3< S+ 0 0 127 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.852 113.8 47.7 -57.0 -35.4 20.1 19.4 -14.9 16 16 A K H << S+ 0 0 110 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.850 118.4 36.5 -74.8 -38.8 22.6 16.6 -14.9 17 17 A I H < S+ 0 0 0 -4,-2.2 3,-0.5 -5,-0.1 4,-0.3 0.549 88.4 118.9 -93.9 -12.0 20.4 13.9 -16.4 18 18 A E S < S+ 0 0 104 -4,-2.2 2,-2.3 -5,-0.3 -3,-0.0 0.003 70.4 31.1 -49.6 163.5 18.4 16.1 -18.9 19 19 A G S > S+ 0 0 54 1,-0.2 3,-1.0 4,-0.0 4,-0.3 -0.452 114.7 63.2 81.6 -61.9 18.7 15.4 -22.6 20 20 A K T >> S+ 0 0 93 -2,-2.3 4,-2.3 -3,-0.5 3,-0.7 0.534 77.7 94.1 -68.3 -6.0 19.2 11.7 -21.7 21 21 A S H 3> S+ 0 0 19 -4,-0.3 4,-3.5 1,-0.2 5,-0.4 0.960 74.9 61.1 -52.5 -50.3 15.7 12.0 -20.3 22 22 A A H <> S+ 0 0 39 -3,-1.0 4,-1.5 1,-0.3 -1,-0.2 0.809 111.1 38.2 -45.8 -40.6 14.3 10.7 -23.6 23 23 A E H <> S+ 0 0 90 -3,-0.7 4,-2.3 -4,-0.3 -1,-0.3 0.826 115.6 53.9 -82.4 -32.1 16.1 7.4 -23.3 24 24 A L H X S+ 0 0 4 -4,-2.3 4,-3.2 -3,-0.3 -2,-0.2 0.896 111.3 45.2 -66.9 -43.7 15.5 7.3 -19.5 25 25 A G H X S+ 0 0 2 -4,-3.5 4,-2.6 2,-0.2 5,-0.4 0.885 111.8 51.5 -67.7 -40.3 11.7 7.7 -20.1 26 26 A A H X S+ 0 0 14 -4,-1.5 4,-2.5 -5,-0.4 -2,-0.2 0.934 115.7 44.0 -59.2 -44.9 11.7 5.1 -22.9 27 27 A E H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 114.0 48.5 -63.3 -51.8 13.5 2.8 -20.5 28 28 A A H X S+ 0 0 2 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.952 118.5 38.4 -57.1 -53.9 11.3 3.6 -17.4 29 29 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 3,-0.2 0.938 115.6 54.6 -63.4 -46.1 8.0 3.1 -19.3 30 30 A G H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.4 -1,-0.2 0.838 110.7 46.2 -58.1 -33.6 9.5 0.2 -21.2 31 31 A R H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.806 107.6 54.8 -81.0 -29.9 10.4 -1.5 -18.0 32 32 A M H X S+ 0 0 11 -4,-1.8 4,-2.5 -3,-0.2 7,-0.3 0.914 108.6 48.4 -67.2 -45.3 7.1 -1.0 -16.1 33 33 A L H < S+ 0 0 0 -4,-1.9 7,-0.3 2,-0.2 -1,-0.2 0.892 119.4 39.7 -61.0 -44.5 5.1 -2.6 -18.9 34 34 A V H < S+ 0 0 21 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 124.1 36.1 -75.1 -42.5 7.4 -5.6 -19.0 35 35 A S H < S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.684 127.4 34.3 -87.1 -23.1 8.1 -6.0 -15.3 36 36 A F >< + 0 0 19 -4,-2.5 3,-2.6 -5,-0.2 4,-0.3 -0.610 68.7 180.0-132.4 75.1 4.6 -5.0 -14.0 37 37 A P G > S+ 0 0 80 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.636 71.4 79.0 -50.6 -20.9 2.2 -6.4 -16.7 38 38 A Q G > S+ 0 0 113 1,-0.2 3,-0.6 2,-0.2 4,-0.1 0.742 88.6 58.3 -62.5 -20.8 -0.8 -5.1 -14.7 39 39 A T G X S+ 0 0 3 -3,-2.6 3,-2.0 -7,-0.3 4,-0.3 0.720 84.6 78.2 -80.5 -23.8 0.0 -1.7 -16.1 40 40 A K G X S+ 0 0 55 -3,-1.0 3,-1.6 -4,-0.3 -1,-0.2 0.701 75.7 77.9 -58.7 -21.8 -0.3 -2.8 -19.8 41 41 A I G X S+ 0 0 114 -3,-0.6 3,-0.5 -4,-0.4 -1,-0.3 0.763 89.9 55.0 -62.1 -22.3 -4.0 -2.6 -19.4 42 42 A Y G < S+ 0 0 67 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.564 111.9 43.4 -86.7 -8.1 -3.8 1.2 -19.7 43 43 A F G X + 0 0 36 -3,-1.6 3,-1.8 -4,-0.3 -1,-0.2 0.101 68.8 122.7-125.6 25.1 -1.9 0.8 -23.1 44 44 A S T < + 0 0 92 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.636 68.1 67.1 -62.4 -16.0 -3.9 -1.9 -24.9 45 45 A E T 3 S+ 0 0 153 -3,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.682 84.6 92.4 -72.3 -28.5 -4.5 0.5 -27.9 46 46 A W S < S- 0 0 63 -3,-1.8 4,-0.1 1,-0.1 -3,-0.0 -0.409 71.0-138.6 -68.9 151.2 -0.8 0.5 -28.7 47 47 A G + 0 0 39 -2,-0.1 3,-0.3 2,-0.1 -1,-0.1 0.844 65.4 47.8 -74.5-107.5 0.5 -2.0 -31.1 48 48 A Q S S- 0 0 98 1,-0.2 2,-0.8 5,-0.1 3,-0.1 0.198 107.2 -73.2 -36.4 146.0 3.7 -4.2 -31.2 49 49 A D - 0 0 138 1,-0.1 -1,-0.2 5,-0.0 5,-0.1 -0.402 64.2 -99.3 -70.3 115.6 4.0 -5.9 -27.8 50 50 A L S S+ 0 0 10 -2,-0.8 -1,-0.1 -3,-0.3 -10,-0.1 0.195 71.3 115.1 -28.6 102.3 5.2 -3.3 -25.3 51 51 A G S > S- 0 0 8 -18,-0.1 3,-0.9 -3,-0.1 6,-0.2 -0.727 82.4 -78.9-153.1-177.4 8.8 -3.2 -24.4 52 52 A P T 3 S+ 0 0 17 0, 0.0 6,-0.1 0, 0.0 -22,-0.1 0.664 124.3 65.2 -67.8 -22.7 11.5 -0.4 -25.0 53 53 A Q T 3 S+ 0 0 136 -23,-0.1 -3,-0.1 4,-0.1 -5,-0.1 0.681 79.3 92.3 -76.3 -23.4 11.9 -1.5 -28.6 54 54 A T S <> S- 0 0 9 -3,-0.9 4,-2.0 1,-0.1 5,-0.1 -0.527 75.6-135.3 -75.5 143.2 8.3 -0.6 -29.7 55 55 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.891 98.9 57.7 -63.6 -46.5 8.0 3.0 -31.1 56 56 A Q H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.904 112.2 41.5 -53.0 -46.7 4.9 4.1 -29.2 57 57 A V H > S+ 0 0 0 -6,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 112.7 52.1 -70.0 -45.9 6.5 3.4 -25.9 58 58 A R H X S+ 0 0 123 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.870 115.3 43.7 -61.5 -30.4 9.9 4.9 -26.8 59 59 A N H X S+ 0 0 110 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.880 112.4 50.2 -80.5 -38.0 8.2 8.0 -27.9 60 60 A H H X S+ 0 0 62 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.760 102.6 66.7 -70.3 -18.8 5.8 8.1 -24.9 61 61 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.936 101.7 43.5 -64.0 -50.7 9.0 7.7 -22.9 62 62 A A H X S+ 0 0 38 -4,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.827 111.3 60.5 -62.2 -33.0 10.3 11.1 -23.9 63 63 A V H X S+ 0 0 79 -4,-1.4 4,-1.9 2,-0.2 3,-0.4 0.956 105.7 42.4 -61.8 -52.5 6.8 12.4 -23.2 64 64 A I H X S+ 0 0 36 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.962 114.6 51.2 -59.7 -50.1 6.7 11.4 -19.6 65 65 A M H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.725 107.5 54.5 -60.2 -23.1 10.2 12.7 -18.9 66 66 A A H X S+ 0 0 62 -4,-1.3 4,-2.1 -3,-0.4 -1,-0.3 0.883 109.3 46.4 -75.7 -42.0 9.3 15.9 -20.6 67 67 A A H X S+ 0 0 28 -4,-1.9 4,-1.9 -3,-0.3 -2,-0.2 0.929 114.0 49.3 -65.9 -39.1 6.3 16.3 -18.2 68 68 A V H X S+ 0 0 11 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.900 108.1 52.7 -67.3 -38.2 8.6 15.4 -15.4 69 69 A G H X S+ 0 0 10 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.899 111.1 48.8 -62.9 -36.1 11.2 17.9 -16.5 70 70 A K H X S+ 0 0 103 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.808 106.3 55.3 -72.2 -32.5 8.4 20.4 -16.5 71 71 A A H >< S+ 0 0 0 -4,-1.9 3,-1.1 2,-0.2 6,-0.2 0.921 105.7 52.5 -66.4 -40.0 7.3 19.4 -13.0 72 72 A V H >< S+ 0 0 5 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.894 105.6 55.2 -59.9 -40.2 10.9 20.1 -11.8 73 73 A K H 3< S+ 0 0 176 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.649 116.1 36.9 -68.2 -18.9 10.6 23.5 -13.3 74 74 A S T X< S+ 0 0 30 -3,-1.1 3,-2.9 -4,-0.7 -1,-0.3 -0.113 74.8 140.1-123.0 37.4 7.4 24.2 -11.3 75 75 A I T < + 0 0 6 -3,-1.5 3,-0.4 1,-0.3 -73,-0.1 0.657 66.0 63.8 -54.6 -17.4 8.6 22.4 -8.2 76 76 A D T 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.491 118.7 19.7 -87.3 -5.2 7.1 25.1 -6.1 77 77 A N <> + 0 0 101 -3,-2.9 4,-2.4 -6,-0.2 -1,-0.2 -0.387 62.7 158.5-163.4 69.9 3.5 24.3 -7.3 78 78 A L H > S+ 0 0 13 -3,-0.4 4,-1.2 2,-0.2 5,-0.1 0.869 78.5 59.0 -64.8 -34.7 3.2 20.9 -8.7 79 79 A V H >> S+ 0 0 70 2,-0.2 3,-1.3 1,-0.2 4,-0.9 0.989 112.2 35.9 -58.6 -63.8 -0.6 21.0 -8.0 80 80 A G H >4 S+ 0 0 40 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.886 120.3 48.9 -57.7 -43.7 -1.2 24.1 -10.1 81 81 A G H 3< S+ 0 0 24 -4,-2.4 -1,-0.3 -7,-0.2 -2,-0.2 0.581 117.3 41.7 -75.2 -7.7 1.3 23.1 -12.8 82 82 A L H XX S+ 0 0 2 -3,-1.3 4,-2.0 -4,-1.2 3,-0.9 0.420 75.2 109.8-119.5 5.1 -0.0 19.6 -13.0 83 83 A S H S+ 0 0 130 -4,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.844 109.6 47.6 -78.9 -31.4 -4.2 19.0 -16.6 85 85 A L H <> S+ 0 0 54 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.822 113.5 51.5 -72.5 -32.6 -2.2 15.8 -16.3 86 86 A S H X>S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.9 0.874 108.3 48.6 -68.7 -45.7 -4.3 15.1 -13.3 87 87 A E H X>S+ 0 0 89 -4,-2.0 5,-2.8 3,-0.2 4,-0.8 0.897 115.4 47.0 -62.3 -38.7 -7.6 15.6 -15.0 88 88 A L H <>S+ 0 0 52 -4,-1.7 5,-3.1 3,-0.2 6,-0.3 0.957 124.1 30.6 -64.9 -51.2 -6.3 13.4 -17.8 89 89 A H H <5S+ 0 0 52 -4,-2.8 6,-2.6 3,-0.2 5,-0.3 0.940 129.5 33.1 -74.4 -53.3 -5.1 10.6 -15.5 90 90 A A H <5S+ 0 0 0 -4,-2.7 -3,-0.2 48,-0.4 -2,-0.1 0.795 134.9 22.6 -78.0 -31.4 -7.4 10.8 -12.5 91 91 A F T < - 0 0 81 1,-0.2 3,-2.5 -2,-0.1 4,-0.4 -0.597 20.7-136.7 -69.6 124.5 -5.3 3.4 -10.4 97 97 A P T >> S+ 0 0 56 0, 0.0 3,-2.4 0, 0.0 4,-0.6 0.852 98.5 73.8 -50.7 -34.6 -3.2 5.5 -7.9 98 98 A A H 3> S+ 0 0 51 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.677 88.1 61.8 -54.9 -18.4 -1.3 2.4 -7.0 99 99 A N H <> S+ 0 0 14 -3,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.693 83.7 73.7 -84.7 -20.0 0.5 2.5 -10.3 100 100 A F H <> S+ 0 0 26 -3,-2.4 4,-2.3 -4,-0.4 -1,-0.2 0.892 95.1 55.3 -59.6 -34.1 2.1 5.8 -9.7 101 101 A K H X S+ 0 0 92 -4,-0.6 4,-2.2 -3,-0.3 -1,-0.2 0.887 105.0 53.1 -65.0 -38.3 4.4 3.9 -7.3 102 102 A I H X S+ 0 0 2 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.944 110.0 44.6 -65.5 -49.2 5.4 1.5 -10.0 103 103 A L H X S+ 0 0 34 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 111.5 54.3 -61.2 -45.0 6.4 4.1 -12.6 104 104 A A H X S+ 0 0 16 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.914 108.3 49.7 -52.1 -50.1 8.3 6.1 -10.0 105 105 A H H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.913 110.7 48.3 -56.6 -48.4 10.3 3.0 -9.0 106 106 A N H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.838 112.7 50.3 -64.6 -31.4 11.2 2.2 -12.6 107 107 A I H X S+ 0 0 14 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.969 112.3 44.3 -70.9 -54.0 12.3 5.8 -13.1 108 108 A I H X S+ 0 0 6 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.886 112.5 55.3 -57.9 -35.6 14.5 5.9 -10.0 109 109 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.929 109.3 45.8 -62.7 -44.8 15.8 2.5 -11.1 110 110 A V H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.916 112.2 51.0 -64.9 -44.2 16.8 4.0 -14.5 111 111 A I H >X S+ 0 0 8 -4,-2.7 4,-3.6 2,-0.2 3,-0.9 0.969 112.8 44.0 -58.6 -54.3 18.4 7.1 -13.0 112 112 A S H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 113.3 54.7 -59.6 -32.5 20.5 5.1 -10.6 113 113 A M H 3< S+ 0 0 9 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.763 119.5 31.1 -73.2 -25.0 21.3 2.8 -13.5 114 114 A Y H << S+ 0 0 68 -4,-1.6 -2,-0.2 -3,-0.9 -3,-0.2 0.831 133.9 25.4-101.2 -38.7 22.5 5.7 -15.7 115 115 A F S X S+ 0 0 29 -4,-3.6 4,-1.0 -5,-0.2 3,-0.3 -0.573 71.4 153.7-126.8 65.4 24.0 8.2 -13.2 116 116 A P T 4 S+ 0 0 60 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.864 72.2 53.9 -62.5 -43.5 24.9 5.8 -10.3 117 117 A G T 4 S+ 0 0 62 1,-0.2 3,-0.2 -3,-0.1 -5,-0.1 0.802 113.5 44.4 -64.5 -27.3 27.7 8.0 -9.0 118 118 A D T 4 S+ 0 0 78 -3,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.614 94.0 78.3 -93.7 -12.5 25.3 10.9 -8.8 119 119 A F < + 0 0 0 -4,-1.0 -1,-0.2 -3,-0.4 5,-0.1 -0.280 68.0 166.7 -93.8 53.8 22.3 9.0 -7.2 120 120 A T >> - 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