==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 03-NOV-11 3UHU . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR Z.REN,V.SRAJER,J.E.KNAPP,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13812.0 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 . 73 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 57.6 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 3 1 2 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 88 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 166.4 13.8 -11.7 24.1 2 3 A V H 3> + 0 0 9 141,-0.4 4,-1.7 1,-0.2 5,-0.1 0.805 360.0 56.3 -62.0 -29.7 11.9 -8.5 24.5 3 4 A Y H 3> S+ 0 0 138 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.813 109.1 45.4 -73.2 -29.9 8.9 -10.5 25.8 4 5 A D H <4 S+ 0 0 102 -3,-0.6 4,-0.3 2,-0.2 -2,-0.2 0.837 112.2 51.6 -79.7 -34.7 10.9 -12.0 28.6 5 6 A A H >< S+ 0 0 16 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.846 105.1 55.9 -69.7 -34.6 12.5 -8.6 29.5 6 7 A A H >< S+ 0 0 12 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.819 99.5 61.2 -67.0 -30.0 9.1 -7.0 29.6 7 8 A A T 3< S+ 0 0 73 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.613 88.9 71.9 -72.1 -12.2 8.0 -9.6 32.2 8 9 A Q T < S+ 0 0 105 -3,-1.1 2,-1.8 -4,-0.3 -1,-0.3 0.562 70.3 98.0 -79.7 -8.7 10.8 -8.3 34.5 9 10 A L < - 0 0 15 -3,-1.4 -1,-0.1 -4,-0.2 -3,-0.0 -0.591 64.0-174.3 -82.6 82.3 8.8 -5.1 35.1 10 11 A T > - 0 0 72 -2,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.088 39.5 -89.6 -71.1 174.1 7.3 -6.2 38.4 11 12 A A H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.920 125.7 40.8 -51.0 -55.7 4.7 -4.3 40.5 12 13 A D H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.794 111.2 57.1 -68.2 -29.7 7.1 -2.2 42.5 13 14 A V H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 109.0 46.4 -66.4 -44.1 9.4 -1.6 39.6 14 15 A K H X S+ 0 0 57 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 112.1 51.7 -63.5 -40.2 6.5 -0.1 37.6 15 16 A K H X S+ 0 0 109 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.918 109.4 48.5 -63.3 -44.9 5.5 2.0 40.7 16 17 A D H X S+ 0 0 19 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.857 109.6 54.1 -64.4 -33.7 9.0 3.4 41.1 17 18 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.912 111.8 44.4 -65.2 -42.6 9.1 4.3 37.4 18 19 A R H X S+ 0 0 77 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 112.1 50.3 -68.0 -48.2 5.8 6.2 37.8 19 20 A D H X S+ 0 0 55 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.889 116.3 41.9 -58.9 -41.7 6.7 8.0 41.0 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 3,-0.7 0.862 112.4 53.2 -74.6 -37.0 10.0 9.2 39.6 21 22 A W H 3X S+ 0 0 14 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.835 95.8 69.4 -66.7 -31.8 8.7 10.1 36.1 22 23 A K H 3< S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.1 30.1 -53.5 -36.0 6.0 12.2 37.8 23 24 A V H X< S+ 0 0 62 -3,-0.7 3,-1.4 -4,-0.6 4,-0.4 0.914 123.2 45.6 -88.6 -53.4 8.9 14.6 38.7 24 25 A I H >< S+ 0 0 12 -4,-2.6 3,-1.0 1,-0.3 7,-0.2 0.862 112.6 51.6 -60.0 -38.5 11.3 14.0 35.8 25 26 A G G >< S+ 0 0 8 -4,-3.2 3,-0.5 1,-0.2 -1,-0.3 0.496 89.6 81.7 -78.8 -2.4 8.6 14.3 33.2 26 27 A S G < S+ 0 0 100 -3,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.748 102.5 32.4 -72.0 -25.0 7.4 17.5 34.6 27 28 A D G <> + 0 0 79 -3,-1.0 4,-2.6 -4,-0.4 5,-0.4 -0.678 68.7 167.8-134.0 77.6 10.2 19.4 32.8 28 29 A K H <> S+ 0 0 33 -3,-0.5 4,-1.4 -2,-0.3 45,-0.2 0.840 78.2 47.5 -60.8 -37.3 10.8 17.6 29.5 29 30 A K H > S+ 0 0 64 3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.963 116.9 40.4 -70.6 -52.4 12.9 20.3 28.0 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.941 124.2 37.2 -61.9 -50.7 15.2 20.9 31.0 31 32 A N H X S+ 0 0 9 -4,-2.6 4,-1.9 -7,-0.2 -1,-0.2 0.792 114.5 56.7 -73.5 -28.9 15.6 17.3 31.9 32 33 A G H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.4 -2,-0.2 0.917 110.8 43.0 -68.2 -42.8 15.7 16.2 28.3 33 34 A V H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.880 112.3 53.5 -69.4 -39.3 18.6 18.5 27.5 34 35 A A H X S+ 0 0 34 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.899 109.9 49.4 -61.9 -39.7 20.4 17.6 30.8 35 36 A L H X S+ 0 0 11 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.923 113.8 44.1 -65.4 -46.8 20.1 13.9 29.8 36 37 A A H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.917 114.6 47.8 -65.9 -46.4 21.5 14.4 26.3 37 38 A T H X S+ 0 0 46 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.840 110.1 53.4 -65.2 -33.7 24.4 16.7 27.4 38 39 A T H X S+ 0 0 31 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.851 107.2 52.1 -69.4 -34.7 25.3 14.3 30.2 39 40 A L H X S+ 0 0 22 -4,-1.5 4,-1.9 2,-0.2 7,-0.2 0.921 111.9 45.1 -66.4 -44.6 25.5 11.4 27.7 40 41 A F H < S+ 0 0 4 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.829 114.9 48.9 -69.0 -32.5 27.8 13.4 25.4 41 42 A A H < S+ 0 0 64 -4,-1.8 3,-0.4 -5,-0.2 -2,-0.2 0.906 119.1 35.6 -74.6 -43.1 30.0 14.6 28.3 42 43 A D H < S+ 0 0 72 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.698 131.8 30.5 -84.3 -20.8 30.4 11.1 29.9 43 44 A N >< + 0 0 34 -4,-1.9 3,-2.5 -5,-0.2 4,-0.3 -0.528 64.2 169.1-138.0 68.2 30.6 9.2 26.6 44 45 A Q G > S+ 0 0 128 -3,-0.4 3,-1.5 1,-0.3 4,-0.3 0.725 71.7 74.5 -51.1 -25.8 32.1 11.5 24.0 45 46 A E G > S+ 0 0 103 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.721 87.7 61.0 -63.6 -21.0 32.4 8.5 21.7 46 47 A T G X S+ 0 0 5 -3,-2.5 3,-1.4 -7,-0.2 4,-0.4 0.618 80.4 83.9 -81.5 -13.6 28.6 8.6 21.1 47 48 A I G X S+ 0 0 47 -3,-1.5 3,-1.5 -4,-0.3 -1,-0.2 0.798 75.8 72.2 -59.7 -28.4 28.8 12.1 19.6 48 49 A G G X S+ 0 0 40 -3,-0.6 3,-0.8 -4,-0.3 -1,-0.3 0.811 91.4 56.5 -57.5 -31.7 29.6 10.6 16.3 49 50 A Y G < S+ 0 0 108 -3,-1.4 3,-0.3 1,-0.2 -1,-0.3 0.689 104.1 55.8 -72.9 -19.3 26.1 9.3 15.9 50 51 A F G X + 0 0 46 -3,-1.5 3,-1.4 -4,-0.4 4,-0.4 -0.092 61.4 130.4-107.6 35.2 24.7 12.9 16.3 51 52 A K G X + 0 0 175 -3,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.849 69.2 62.0 -54.4 -38.5 26.6 14.7 13.5 52 53 A R G 3 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.774 93.4 64.3 -60.9 -28.3 23.4 16.2 12.2 53 54 A L G < S- 0 0 8 -3,-1.4 12,-0.3 1,-0.2 -1,-0.3 0.655 92.0-156.2 -71.7 -16.6 22.9 18.1 15.5 54 55 A G < + 0 0 48 -3,-1.5 2,-1.5 -4,-0.4 -1,-0.2 -0.522 61.2 16.0 79.9-142.7 26.0 20.2 15.0 55 56 A D > - 0 0 81 -2,-0.2 3,-1.5 1,-0.2 4,-0.2 -0.540 64.7-176.7 -73.9 92.6 27.9 21.7 18.0 56 57 A V G > S+ 0 0 18 -2,-1.5 3,-1.1 1,-0.3 -1,-0.2 0.639 72.4 72.5 -64.6 -17.5 26.4 19.7 20.9 57 58 A S G 3 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.624 79.6 74.2 -76.1 -12.0 28.3 21.7 23.5 58 59 A Q G X S- 0 0 104 -3,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.712 80.4-178.5 -71.0 -20.0 26.1 24.7 22.9 59 60 A G G X + 0 0 10 -3,-1.1 3,-2.4 1,-0.3 7,-0.3 -0.333 62.2 11.7 61.8-130.2 23.4 22.9 24.8 60 61 A M G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.747 125.4 61.9 -51.5 -30.4 20.0 24.6 25.1 61 62 A A G < S+ 0 0 72 -3,-1.5 2,-0.9 1,-0.1 -1,-0.3 0.658 82.9 88.8 -73.8 -16.8 21.1 27.2 22.5 62 63 A N <> - 0 0 13 -3,-2.4 4,-2.6 1,-0.2 3,-0.2 -0.748 66.8-159.7 -85.4 105.5 21.5 24.6 19.9 63 64 A D H > S+ 0 0 79 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.875 89.0 49.0 -52.8 -45.3 18.0 24.4 18.3 64 65 A K H > S+ 0 0 103 -11,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 112.3 48.2 -65.1 -37.5 18.5 20.9 16.8 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.7 -3,-0.2 -2,-0.2 0.908 112.6 49.0 -68.9 -40.6 19.8 19.5 20.1 66 67 A R H X S+ 0 0 20 -4,-2.6 4,-2.1 -7,-0.3 5,-0.2 0.887 110.5 51.4 -65.7 -38.6 16.9 21.1 21.9 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.940 113.1 44.4 -63.1 -46.7 14.5 19.6 19.4 68 69 A H H X S+ 0 0 30 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 112.3 52.5 -63.5 -43.4 16.0 16.1 19.8 69 70 A S H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.904 110.9 45.3 -61.7 -45.8 16.1 16.4 23.6 70 71 A I H >X S+ 0 0 1 -4,-2.1 4,-0.8 1,-0.2 3,-0.5 0.959 114.3 49.3 -62.3 -50.8 12.4 17.4 24.0 71 72 A T H >X S+ 0 0 42 -4,-2.0 3,-0.8 1,-0.2 4,-0.6 0.853 103.9 60.8 -56.3 -39.3 11.3 14.7 21.5 72 73 A L H >X S+ 0 0 42 -4,-2.3 3,-1.4 1,-0.2 4,-1.2 0.905 99.3 56.4 -55.7 -43.8 13.4 12.1 23.4 73 74 A M H < S+ 0 0 6 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.911 111.7 49.7 -57.4 -46.8 6.8 3.8 27.6 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.4 1,-0.2 4,-0.2 0.914 108.4 53.5 -59.9 -43.5 5.6 4.9 31.0 81 82 A D H 3< S+ 0 0 62 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.749 107.5 51.9 -64.3 -24.4 2.0 5.2 29.6 82 83 A Q T X< S+ 0 0 20 -4,-1.3 3,-1.3 -3,-0.5 7,-0.5 0.417 75.8 103.3 -93.4 1.7 2.1 1.6 28.3 83 84 A L T < S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.785 74.3 61.1 -54.8 -29.5 3.2 0.0 31.6 84 85 A D T 3 S+ 0 0 124 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.815 106.3 46.4 -68.5 -31.2 -0.3 -1.3 32.3 85 86 A N X> - 0 0 57 -3,-1.3 4,-2.4 1,-0.1 3,-0.7 -0.889 63.2-166.0-121.1 104.0 -0.4 -3.4 29.1 86 87 A P H 3> S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.852 91.4 56.5 -51.3 -41.5 2.6 -5.6 28.3 87 88 A D H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.882 111.3 42.7 -60.9 -39.7 1.4 -6.3 24.8 88 89 A D H <> S+ 0 0 8 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.880 111.2 54.6 -74.9 -38.3 1.3 -2.5 24.1 89 90 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 -7,-0.5 -2,-0.2 0.925 110.4 47.8 -59.4 -45.5 4.6 -1.8 25.8 90 91 A V H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.924 111.3 47.0 -63.0 -48.8 6.3 -4.4 23.6 91 92 A C H X S+ 0 0 8 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.832 114.1 50.4 -65.3 -29.0 4.9 -3.3 20.3 92 93 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.849 111.4 47.5 -75.4 -34.9 5.8 0.3 21.2 93 94 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.900 111.7 49.3 -72.7 -40.7 9.3 -0.7 22.1 94 95 A E H X S+ 0 0 59 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.879 110.9 51.1 -65.1 -36.7 9.8 -2.7 18.9 95 96 A K H >X S+ 0 0 46 -4,-1.5 4,-0.5 -5,-0.2 3,-0.5 0.922 110.8 48.6 -64.2 -44.6 8.5 0.3 16.9 96 97 A F H 3X S+ 0 0 47 -4,-1.8 4,-0.7 1,-0.2 3,-0.2 0.844 105.8 58.7 -63.8 -35.9 11.0 2.5 18.7 97 98 A A H 3X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.771 86.0 80.4 -67.4 -28.3 13.8 0.1 18.0 98 99 A V H S+ 0 0 43 -4,-0.7 5,-2.6 2,-0.2 -1,-0.2 0.835 107.7 50.9 -73.6 -30.3 17.9 2.8 16.2 101 102 A I H ><5S+ 0 0 82 -4,-2.5 3,-1.5 -3,-0.4 -2,-0.2 0.885 106.8 55.2 -70.8 -38.0 18.6 -0.6 14.6 102 103 A T H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 105.9 51.1 -62.5 -33.9 19.0 1.2 11.3 103 104 A R T 3<5S- 0 0 104 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.414 116.9-118.5 -83.5 1.3 21.7 3.5 12.8 104 105 A K T < 5 + 0 0 162 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.877 52.1 166.7 62.7 40.7 23.4 0.3 14.1 105 106 A I < - 0 0 21 -5,-2.6 -1,-0.2 4,-0.1 -2,-0.1 -0.798 24.5-148.7 -88.0 112.1 23.0 1.3 17.7 106 107 A S > - 0 0 55 -2,-0.8 4,-2.6 -3,-0.1 5,-0.2 -0.245 24.2-107.3 -77.4 168.7 23.8 -1.9 19.7 107 108 A A H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.892 122.3 50.5 -61.7 -40.9 22.3 -2.9 23.0 108 109 A A H 4 S+ 0 0 80 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.845 110.9 49.1 -66.4 -34.7 25.6 -2.1 24.7 109 110 A E H >4 S+ 0 0 38 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.923 111.0 48.7 -70.3 -45.2 25.7 1.3 23.1 110 111 A F H >< S+ 0 0 38 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.865 100.3 67.4 -62.1 -37.2 22.1 2.1 24.1 111 112 A G G >< S+ 0 0 14 -4,-2.0 3,-1.6 1,-0.3 4,-0.3 0.638 78.9 81.0 -59.7 -14.8 22.9 1.0 27.6 112 113 A K G X S+ 0 0 55 -3,-1.5 3,-0.6 -4,-0.3 -1,-0.3 0.651 76.8 72.2 -67.2 -13.3 25.2 4.0 28.0 113 114 A I G <> S+ 0 0 28 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.703 78.3 78.0 -74.0 -19.1 22.1 6.1 28.7 114 115 A N H <> S+ 0 0 47 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.876 89.8 54.0 -57.1 -40.5 21.9 4.4 32.1 115 116 A G H <> S+ 0 0 34 -3,-0.6 4,-2.1 -4,-0.3 -1,-0.2 0.974 109.9 44.9 -59.4 -57.4 24.6 6.6 33.5 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.844 112.8 52.5 -55.5 -37.8 23.0 9.9 32.5 117 118 A I H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.930 107.5 51.1 -65.8 -45.0 19.6 8.7 33.8 118 119 A K H X S+ 0 0 106 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.920 112.3 47.5 -57.7 -44.5 21.1 7.8 37.2 119 120 A K H X S+ 0 0 112 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.884 111.9 47.4 -66.0 -41.6 22.6 11.3 37.4 120 121 A V H X S+ 0 0 10 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.892 113.5 49.6 -67.2 -38.4 19.5 13.2 36.4 121 122 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