==== 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 3UH7 . 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) . 13756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 84.1 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 . 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 . 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 1 1 0 0 0 2 0 0 0 2 3 3 0 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 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 123.6 38.3 -21.7 23.7 2 3 A V H > + 0 0 11 141,-0.3 4,-2.4 1,-0.2 5,-0.1 0.844 360.0 55.6 -65.1 -31.5 36.5 -18.4 24.0 3 4 A Y H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.891 108.2 45.7 -68.8 -39.9 33.5 -20.3 25.4 4 5 A D H 4 S+ 0 0 117 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.881 113.2 51.6 -69.8 -36.3 35.6 -21.9 28.2 5 6 A A H >< S+ 0 0 18 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.907 107.6 51.5 -65.0 -42.3 37.1 -18.5 28.9 6 7 A A H >< S+ 0 0 8 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.807 101.3 62.7 -64.0 -30.0 33.7 -16.9 29.1 7 8 A A T 3< S+ 0 0 68 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.653 89.6 70.2 -69.6 -15.5 32.7 -19.6 31.6 8 9 A Q T < S+ 0 0 101 -3,-1.4 2,-1.6 -4,-0.4 -1,-0.3 0.569 72.3 95.2 -78.5 -9.5 35.4 -18.3 33.9 9 10 A L < + 0 0 15 -3,-1.5 -1,-0.1 -4,-0.2 -3,-0.0 -0.643 63.2 180.0 -85.3 85.9 33.4 -15.1 34.5 10 11 A T > - 0 0 70 -2,-1.6 4,-2.8 1,-0.1 5,-0.3 -0.224 44.9 -90.9 -80.1 173.3 31.7 -16.3 37.7 11 12 A A H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.901 127.2 48.8 -51.1 -48.1 29.2 -14.3 39.9 12 13 A D H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 112.3 48.1 -61.9 -41.5 31.9 -12.8 42.0 13 14 A V H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 110.5 50.8 -66.2 -45.3 34.0 -11.8 39.0 14 15 A K H X S+ 0 0 59 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.890 109.4 52.0 -60.6 -38.5 31.0 -10.2 37.2 15 16 A K H X S+ 0 0 113 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.917 109.8 48.1 -64.7 -43.5 30.2 -8.2 40.4 16 17 A D H X S+ 0 0 20 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.851 111.0 51.8 -66.1 -33.9 33.7 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 113.2 43.8 -67.3 -46.4 33.7 -5.9 37.0 18 19 A R H X S+ 0 0 82 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.917 112.8 51.1 -65.1 -45.2 30.4 -4.0 37.3 19 20 A D H X S+ 0 0 50 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.916 115.8 40.9 -59.9 -45.4 31.4 -2.3 40.6 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 3,-0.7 0.853 111.4 56.8 -72.6 -34.6 34.7 -1.0 39.2 21 22 A W H 3X S+ 0 0 15 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.861 95.0 66.0 -65.1 -34.2 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 164 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.0 34.3 -54.4 -35.0 30.7 2.2 37.5 23 24 A V H X< S+ 0 0 57 -3,-0.7 3,-1.0 -4,-0.6 4,-0.3 0.944 123.5 39.2 -84.9 -56.1 33.7 4.3 38.5 24 25 A I H >< S+ 0 0 11 -4,-2.5 3,-0.9 1,-0.2 7,-0.2 0.830 113.7 55.9 -66.0 -32.6 36.1 4.0 35.6 25 26 A G T 3< S+ 0 0 4 -4,-2.9 3,-0.5 -5,-0.3 -1,-0.2 0.566 87.7 78.8 -77.9 -7.3 33.4 4.1 33.0 26 27 A S T < S+ 0 0 97 -3,-1.0 2,-0.2 1,-0.3 -1,-0.2 0.673 101.6 37.1 -73.6 -18.3 32.0 7.4 34.2 27 28 A D <> + 0 0 73 -3,-0.9 4,-2.7 -4,-0.3 5,-0.4 -0.659 68.0 165.2-134.2 76.9 34.8 9.3 32.5 28 29 A K H > S+ 0 0 37 -3,-0.5 4,-1.6 -2,-0.2 5,-0.2 0.872 77.0 47.5 -62.2 -40.7 35.4 7.5 29.2 29 30 A K H > S+ 0 0 63 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.968 117.5 41.2 -66.3 -52.1 37.4 10.3 27.6 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.936 122.7 36.9 -61.9 -51.5 39.7 10.8 30.6 31 32 A N H X S+ 0 0 9 -4,-2.7 4,-2.1 -7,-0.2 -1,-0.2 0.777 113.7 57.6 -74.9 -27.1 40.3 7.2 31.6 32 33 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.4 -2,-0.2 0.936 110.2 43.0 -67.7 -45.5 40.4 6.0 28.0 33 34 A V H X S+ 0 0 10 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.866 111.7 55.8 -67.1 -35.7 43.2 8.3 27.1 34 35 A A H X S+ 0 0 31 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.910 106.2 51.2 -62.5 -42.2 44.9 7.4 30.4 35 36 A L H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.942 113.9 43.4 -60.1 -47.9 44.8 3.7 29.4 36 37 A M H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.932 113.2 49.1 -66.5 -47.4 46.4 4.4 26.0 37 38 A T H X S+ 0 0 49 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.865 111.9 50.7 -61.8 -34.8 49.1 6.8 27.2 38 39 A T H X S+ 0 0 30 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.911 108.9 51.8 -68.5 -41.2 50.0 4.3 30.0 39 40 A L H X S+ 0 0 16 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.937 111.9 45.8 -59.2 -48.0 50.3 1.5 27.4 40 41 A F H < S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 115.2 47.4 -65.9 -32.6 52.6 3.6 25.2 41 42 A A H < S+ 0 0 70 -4,-1.8 3,-0.4 -5,-0.2 -2,-0.2 0.897 119.4 37.1 -76.2 -41.6 54.7 4.7 28.1 42 43 A D H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.718 129.7 31.8 -82.8 -24.7 55.1 1.2 29.7 43 44 A N >< + 0 0 37 -4,-2.3 3,-2.2 -5,-0.3 4,-0.4 -0.566 64.0 169.6-134.9 71.6 55.3 -0.7 26.4 44 45 A Q G > S+ 0 0 149 -3,-0.4 3,-1.4 1,-0.3 4,-0.4 0.757 71.5 73.5 -51.8 -30.1 57.0 1.6 23.8 45 46 A E G 3 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.553 90.4 58.6 -66.1 -6.6 57.3 -1.4 21.4 46 47 A T G X S+ 0 0 8 -3,-2.2 3,-1.7 -7,-0.2 4,-0.5 0.638 79.0 86.7 -96.4 -16.2 53.6 -1.2 20.7 47 48 A I G X S+ 0 0 62 -3,-1.4 3,-1.6 -4,-0.4 -1,-0.1 0.821 77.1 68.8 -52.8 -34.6 53.5 2.4 19.4 48 49 A G G > S+ 0 0 56 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.804 90.8 60.5 -56.3 -32.2 54.4 1.2 15.9 49 50 A Y G < S+ 0 0 95 -3,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.724 98.7 59.4 -68.0 -22.0 51.0 -0.4 15.6 50 51 A F G X + 0 0 46 -3,-1.6 3,-1.6 -4,-0.5 4,-0.3 -0.042 61.2 131.5-100.6 32.2 49.3 2.9 16.1 51 52 A K G X + 0 0 179 -3,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.826 67.2 62.1 -51.1 -38.6 50.8 4.8 13.1 52 53 A R G 3 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.782 94.2 62.6 -61.9 -28.2 47.4 6.1 11.9 53 54 A L G < S- 0 0 5 -3,-1.6 12,-0.3 1,-0.2 -1,-0.3 0.556 95.4-148.4 -76.7 -7.7 46.9 8.0 15.2 54 55 A G < + 0 0 51 -3,-1.5 2,-1.3 -4,-0.3 -1,-0.2 -0.510 64.0 9.5 78.8-144.3 50.0 10.2 14.5 55 56 A D > - 0 0 83 -2,-0.2 3,-1.4 1,-0.2 4,-0.1 -0.590 63.7-179.3 -76.2 95.2 52.0 11.6 17.4 56 57 A V G > S+ 0 0 12 -2,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.673 72.2 75.8 -70.2 -17.0 50.6 9.7 20.4 57 58 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.698 81.3 72.9 -67.6 -16.0 52.9 11.4 22.9 58 59 A Q G X S- 0 0 100 -3,-1.4 3,-1.7 1,-0.2 -1,-0.3 0.631 81.0-178.4 -72.3 -14.2 50.5 14.4 22.5 59 60 A G G X + 0 0 9 -3,-1.7 3,-2.0 1,-0.3 7,-0.2 -0.235 63.1 9.0 56.5-129.1 47.9 12.6 24.5 60 61 A M G 3 S+ 0 0 84 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.741 124.6 64.9 -56.1 -26.6 44.6 14.4 25.0 61 62 A A G < S+ 0 0 79 -3,-1.7 2,-0.8 1,-0.1 -1,-0.3 0.684 82.2 88.9 -72.0 -18.8 45.7 17.0 22.5 62 63 A N <> - 0 0 11 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.732 64.3-161.3 -85.1 107.4 45.7 14.4 19.7 63 64 A D H > S+ 0 0 88 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.861 89.8 51.4 -56.3 -41.0 42.2 14.3 18.2 64 65 A K H > S+ 0 0 109 -11,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 111.1 47.5 -65.3 -40.8 42.7 10.9 16.6 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.896 111.6 50.7 -67.6 -39.3 43.9 9.4 19.8 66 67 A R H X S+ 0 0 22 -4,-2.4 4,-2.3 -7,-0.2 5,-0.2 0.924 111.5 47.5 -65.0 -42.6 41.0 10.9 21.8 67 68 A G H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.919 114.6 46.6 -63.2 -43.7 38.5 9.5 19.3 68 69 A H H X S+ 0 0 41 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.930 112.3 50.9 -62.1 -47.2 40.2 6.1 19.4 69 70 A S H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.866 109.3 48.7 -61.0 -41.1 40.3 6.1 23.2 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.934 110.8 52.4 -65.9 -42.9 36.6 7.0 23.6 71 72 A G H X S+ 0 0 16 -4,-2.0 4,-1.0 1,-0.2 3,-0.3 0.884 105.1 55.1 -58.6 -40.1 35.7 4.2 21.2 72 73 A L H X S+ 0 0 48 -4,-2.1 4,-1.7 1,-0.2 3,-0.5 0.891 104.6 53.8 -61.3 -39.9 37.8 1.7 23.1 73 74 A M H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.817 105.4 53.0 -66.6 -29.6 35.8 2.6 26.3 74 75 A Y H X S+ 0 0 13 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.722 104.0 56.9 -77.1 -19.7 32.5 1.9 24.5 75 76 A A H X S+ 0 0 14 -4,-1.0 4,-2.1 -3,-0.5 -2,-0.2 0.901 109.4 45.5 -73.7 -40.5 33.9 -1.5 23.5 76 77 A L H X S+ 0 0 29 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.884 109.8 54.1 -68.3 -37.0 34.4 -2.2 27.2 77 78 A Q H X S+ 0 0 37 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.909 107.2 52.9 -60.8 -41.1 31.0 -0.9 28.0 78 79 A N H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.948 108.2 49.5 -58.2 -51.8 29.6 -3.3 25.4 79 80 A F H >< S+ 0 0 13 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.930 110.9 49.3 -54.6 -49.8 31.4 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.902 108.5 53.5 -58.4 -42.4 30.1 -5.3 30.6 81 82 A D H 3< S+ 0 0 64 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.719 108.1 51.4 -66.4 -21.0 26.5 -5.0 29.2 82 83 A Q T X< S+ 0 0 22 -4,-1.2 3,-1.1 -3,-0.9 7,-0.5 0.387 75.1 102.9 -97.1 2.9 26.8 -8.5 27.7 83 84 A L T < S+ 0 0 5 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.769 75.7 61.6 -56.7 -25.9 27.9 -10.3 30.9 84 85 A D T 3 S+ 0 0 125 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.842 107.0 43.4 -69.4 -34.9 24.4 -11.6 31.5 85 86 A N X> - 0 0 57 -3,-1.1 4,-2.2 1,-0.1 3,-0.7 -0.896 63.8-166.0-120.0 104.1 24.4 -13.6 28.2 86 87 A P H 3> S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.807 89.7 58.4 -55.0 -33.7 27.5 -15.6 27.3 87 88 A D H 3> S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.880 111.1 40.9 -66.4 -37.4 26.4 -16.2 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-1.7 2,-0.2 5,-0.2 0.830 111.8 55.8 -79.2 -33.1 26.2 -12.4 23.1 89 90 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 -7,-0.5 -2,-0.2 0.945 108.3 49.5 -63.1 -45.3 29.4 -11.7 25.0 90 91 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.915 108.7 51.0 -61.4 -43.7 31.2 -14.2 22.8 91 92 A C H X S+ 0 0 6 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.843 112.7 45.6 -66.9 -30.3 29.9 -12.7 19.5 92 93 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.858 112.3 51.6 -79.0 -33.1 30.9 -9.1 20.5 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.922 109.4 49.8 -66.7 -42.3 34.3 -10.3 21.6 94 95 A E H X S+ 0 0 62 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.839 106.5 57.4 -65.7 -30.3 34.9 -12.1 18.4 95 96 A K H X S+ 0 0 40 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.947 112.2 39.0 -64.8 -48.4 33.9 -8.9 16.5 96 97 A F H X S+ 0 0 44 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.759 108.9 63.6 -74.1 -22.5 36.6 -6.8 18.2 97 98 A A H >X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 3,-1.0 0.932 99.9 53.2 -64.6 -43.7 39.0 -9.7 18.0 98 99 A V H 3X S+ 0 0 42 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.890 101.3 60.4 -57.0 -40.6 38.8 -9.5 14.2 99 100 A N H 3< S+ 0 0 40 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.809 114.1 36.5 -57.5 -30.6 39.7 -5.8 14.4 100 101 A H H <<>S+ 0 0 65 -3,-1.0 5,-2.5 -4,-0.9 3,-0.4 0.761 109.3 59.7 -95.0 -28.7 42.9 -6.8 16.1 101 102 A I H ><5S+ 0 0 79 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.903 103.6 54.5 -65.2 -37.9 43.7 -10.0 14.1 102 103 A T T 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.727 106.3 52.1 -67.4 -21.0 43.7 -7.8 11.0 103 104 A R T 3 5S- 0 0 132 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.271 118.8-113.6 -96.0 9.2 46.3 -5.6 12.7 104 105 A K T < 5 + 0 0 173 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.821 60.3 158.7 63.5 34.1 48.5 -8.6 13.4 105 106 A I < - 0 0 24 -5,-2.5 -1,-0.2 4,-0.0 -2,-0.1 -0.809 27.0-150.5 -93.2 120.8 48.0 -8.3 17.2 106 107 A S > - 0 0 51 -2,-0.6 4,-2.5 39,-0.1 5,-0.2 -0.348 27.4-107.3 -85.4 167.9 48.6 -11.6 19.1 107 108 A A H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.909 120.4 53.7 -59.8 -42.1 47.1 -12.8 22.3 108 109 A A H 4 S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.908 112.0 42.2 -60.6 -45.2 50.4 -12.1 24.1 109 110 A E H >4 S+ 0 0 45 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.870 110.2 56.2 -72.7 -33.8 50.6 -8.5 22.9 110 111 A F H >< S+ 0 0 40 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.888 99.7 63.3 -62.5 -35.8 46.9 -7.8 23.5 111 112 A G G >< S+ 0 0 13 -4,-1.9 3,-1.7 1,-0.3 4,-0.3 0.603 78.7 83.9 -64.6 -11.1 47.6 -9.0 27.1 112 113 A K G < S+ 0 0 55 -3,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.569 75.0 74.2 -69.4 -5.7 50.0 -6.0 27.5 113 114 A I G <> S+ 0 0 29 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.655 76.6 77.9 -80.6 -15.1 46.9 -4.0 28.3 114 115 A N H <> S+ 0 0 48 -3,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.882 89.6 53.7 -61.3 -40.4 46.6 -5.6 31.8 115 116 A G H > S+ 0 0 31 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.968 110.9 45.1 -59.4 -54.3 49.4 -3.5 33.2 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.900 112.4 52.0 -56.5 -43.7 47.7 -0.2 32.1 117 118 A I H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.924 109.3 49.6 -60.7 -43.9 44.3 -1.4 33.4 118 119 A K H X S+ 0 0 98 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.909 112.6 48.1 -61.8 -41.3 45.8 -2.3 36.8 119 120 A K H X S+ 0 0 104 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.908 112.2 46.9 -66.9 -43.4 47.4 1.1 37.0 120 121 A V H X S+ 0 0 11 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.910 114.0 48.8 -65.8 -40.3 44.3 3.1 36.1 121 122 A L H ><>S+ 0 0 5 -4,-2.5 5,-2.2 -5,-0.2 3,-1.5 0.933 109.2 52.9 -63.0 -45.4 42.3 1.0 38.6 122 123 A A H ><5S+ 0 0 58 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.854 101.8 58.7 -58.8 -37.3 44.8 1.6 41.3 123 124 A S H 3<5S+ 0 0 87 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.671 107.5 48.4 -67.2 -15.5 44.7 5.4 40.8 124 125 A K T <<5S- 0 0 87 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.204 126.4-101.7-106.8 11.2 41.0 5.1 41.6 125 126 A N T < 5S+ 0 0 152 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.762 80.3 132.1 74.2 28.8 41.6 3.0 44.7 126 127 A F < - 0 0 33 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.954 40.5-161.2-112.0 114.0 40.7 -0.4 43.2 127 128 A G >> - 0 0 40 -2,-0.6 4,-1.9 -3,-0.1 3,-1.1 0.161 39.9 -59.3 -82.4-162.7 43.4 -3.0 44.0 128 129 A D H 3> S+ 0 0 105 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.797 124.0 66.7 -47.9 -39.3 44.6 -6.3 42.8 129 130 A K H 3> S+ 0 0 121 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.922 109.8 37.0 -50.4 -48.6 41.2 -8.0 43.4 130 131 A Y H <> S+ 0 0 43 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.856 112.9 56.5 -74.4 -37.2 39.7 -5.8 40.6 131 132 A A H X S+ 0 0 9 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.901 108.2 49.5 -61.7 -39.4 42.8 -6.0 38.4 132 133 A N H X S+ 0 0 99 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.838 107.5 54.2 -68.0 -33.9 42.5 -9.8 38.4 133 134 A A H X S+ 0 0 5 -4,-1.1 4,-1.2 -5,-0.3 3,-0.4 0.929 110.1 46.9 -65.7 -44.5 38.8 -9.6 37.6 134 135 A W H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.826 104.7 60.5 -67.2 -30.9 39.6 -7.5 34.5 135 136 A A H X S+ 0 0 29 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.854 102.1 54.1 -64.5 -32.7 42.4 -9.8 33.5 136 137 A K H X S+ 0 0 85 -4,-1.3 4,-0.6 -3,-0.4 -1,-0.2 0.867 109.1 47.2 -68.9 -35.8 39.8 -12.6 33.3 137 138 A L H >X S+ 0 0 3 -4,-1.2 4,-1.0 2,-0.2 3,-1.0 0.910 111.0 50.8 -71.2 -41.9 37.7 -10.5 30.9 138 139 A V H 3X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.3 3,-0.4 0.871 102.6 63.2 -61.6 -34.6 40.7 -9.6 28.8 139 140 A A H 3X S+ 0 0 36 -4,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.760 94.7 59.8 -61.9 -26.4 41.5 -13.3 28.7 140 141 A V H < S+ 0 0 3 -4,-1.0 3,-1.3 -3,-0.4 4,-0.4 0.910 109.6 56.4 -68.5 -40.1 39.4 -11.6 24.0 142 143 A Q H >< S+ 0 0 50 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.862 99.8 59.2 -58.8 -36.7 42.8 -13.3 24.1 143 144 A A H 3< S+ 0 0 42 -4,-1.7 -141,-0.3 1,-0.3 -1,-0.3 0.714 104.7 51.5 -65.9 -19.8 41.2 -16.7 23.5 144 145 A A T << 0 0 23 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.474 360.0 360.0 -95.7 -3.8 39.7 -15.3 20.2 145 146 A L < 0 0 68 -3,-1.3 -39,-0.1 -4,-0.4 -47,-0.1 -0.414 360.0 360.0 -92.9 360.0 43.0 -14.0 18.9 146 !* 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 95 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 173.2 33.1 21.2 7.9 148 3 B V H > + 0 0 12 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 360.0 55.5 -65.5 -37.9 32.1 18.4 10.3 149 4 B Y H > S+ 0 0 109 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.915 104.9 51.9 -60.7 -43.9 32.4 20.9 13.2 150 5 B D H > S+ 0 0 104 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.893 110.6 48.6 -59.9 -40.9 29.9 23.2 11.5 151 6 B A H < S+ 0 0 22 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.897 115.8 42.9 -66.5 -41.6 27.4 20.3 11.1 152 7 B A H >< S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.910 110.9 55.3 -70.8 -42.8 27.8 19.2 14.7 153 8 B A H 3< S+ 0 0 55 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.714 101.8 60.0 -63.4 -21.2 27.7 22.8 16.0 154 9 B Q T 3< S+ 0 0 103 -4,-1.0 -1,-0.2 -5,-0.2 2,-0.2 0.670 71.9 111.6 -84.1 -16.3 24.3 23.3 14.2 155 10 B L < - 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