==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 28-AUG-05 2AUQ . COMPND 2 MOLECULE: GLOBIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,M.A.BONHAM,Q.H.GIBSON,J.C.NICHOLS,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 85.2 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 . 65 22.4 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 0 2 0 0 1 1 0 0 0 2 4 2 0 0 1 1 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 89 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 121.1 38.3 -21.6 23.6 2 3 A V H > + 0 0 11 141,-0.3 4,-2.3 1,-0.2 5,-0.1 0.830 360.0 55.7 -62.5 -31.4 36.5 -18.3 23.9 3 4 A Y H > S+ 0 0 127 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.885 107.9 45.6 -69.9 -39.7 33.5 -20.3 25.4 4 5 A D H > S+ 0 0 113 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.887 113.5 51.2 -69.8 -37.2 35.6 -21.9 28.2 5 6 A A H >< S+ 0 0 19 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.905 107.9 51.6 -64.8 -41.9 37.2 -18.5 28.9 6 7 A A H >< S+ 0 0 10 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.792 101.9 62.4 -65.2 -27.6 33.7 -16.9 29.1 7 8 A A H 3< S+ 0 0 75 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.699 89.2 69.6 -70.9 -20.0 32.7 -19.6 31.6 8 9 A Q T << S+ 0 0 115 -3,-1.1 2,-1.9 -4,-0.6 -1,-0.3 0.578 71.9 97.9 -74.7 -8.8 35.4 -18.3 34.0 9 10 A L < - 0 0 14 -3,-1.3 -1,-0.1 -4,-0.2 -3,-0.0 -0.566 62.6-178.7 -82.7 80.3 33.4 -15.2 34.5 10 11 A T > - 0 0 69 -2,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.089 43.8 -92.2 -72.0 175.2 31.7 -16.3 37.8 11 12 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 126.9 48.3 -56.5 -43.5 29.2 -14.4 39.9 12 13 A D H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 111.6 49.4 -67.0 -39.6 31.9 -12.8 42.0 13 14 A V H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.930 110.7 49.5 -66.0 -45.8 34.0 -11.8 39.0 14 15 A K H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 109.4 52.8 -60.6 -40.6 31.1 -10.2 37.2 15 16 A K H X S+ 0 0 112 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.923 109.7 47.6 -61.6 -45.4 30.2 -8.3 40.4 16 17 A D H X S+ 0 0 32 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.845 111.0 52.2 -64.9 -34.3 33.7 -6.8 40.7 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 113.2 43.5 -66.8 -46.5 33.7 -5.9 37.0 18 19 A R H X S+ 0 0 82 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.921 113.4 50.6 -65.0 -46.1 30.4 -4.0 37.3 19 20 A D H X S+ 0 0 64 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.911 115.9 41.2 -59.9 -44.2 31.3 -2.3 40.6 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 3,-0.6 0.832 111.0 57.3 -73.9 -31.8 34.7 -1.0 39.2 21 22 A W H 3X S+ 0 0 15 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.843 94.2 66.1 -67.9 -32.7 33.2 -0.1 35.9 22 23 A K H 3< S+ 0 0 169 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.851 112.5 35.5 -56.4 -32.4 30.7 2.2 37.5 23 24 A V H X< S+ 0 0 53 -3,-0.6 3,-1.0 -4,-0.6 4,-0.4 0.940 123.8 37.3 -86.6 -56.5 33.6 4.3 38.5 24 25 A I H >< S+ 0 0 12 -4,-2.4 3,-0.8 1,-0.2 7,-0.2 0.819 115.1 56.0 -68.4 -29.2 36.1 4.0 35.6 25 26 A G T 3< S+ 0 0 4 -4,-2.8 3,-0.5 -5,-0.3 -1,-0.2 0.575 88.6 77.3 -79.3 -8.3 33.3 4.0 33.0 26 27 A S T < S+ 0 0 97 -3,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.738 102.9 36.3 -72.4 -23.4 31.9 7.4 34.3 27 28 A D <> + 0 0 75 -3,-0.8 4,-2.4 -4,-0.4 5,-0.4 -0.680 67.4 164.7-131.2 78.1 34.7 9.3 32.6 28 29 A K H > S+ 0 0 35 -3,-0.5 4,-1.5 -2,-0.3 5,-0.2 0.852 76.3 50.5 -63.2 -37.8 35.4 7.5 29.3 29 30 A K H > S+ 0 0 63 3,-0.2 4,-1.9 2,-0.2 5,-0.2 0.961 116.8 38.4 -66.9 -51.1 37.4 10.3 27.8 30 31 A G H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.961 124.2 37.5 -65.0 -54.3 39.7 10.8 30.7 31 32 A N H X S+ 0 0 13 -4,-2.4 4,-2.1 -7,-0.2 -1,-0.2 0.789 113.8 58.0 -70.1 -28.6 40.2 7.2 31.7 32 33 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.4 -1,-0.2 0.941 110.9 41.3 -66.4 -46.1 40.3 6.1 28.0 33 34 A V H X S+ 0 0 10 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.854 111.8 57.2 -69.0 -34.2 43.2 8.4 27.2 34 35 A A H X S+ 0 0 30 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.910 105.7 50.7 -62.1 -42.9 44.9 7.4 30.5 35 36 A L H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.949 114.2 43.3 -59.6 -50.6 44.8 3.8 29.5 36 37 A M H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.913 112.9 49.7 -63.9 -46.8 46.4 4.4 26.1 37 38 A T H X S+ 0 0 49 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.869 112.2 49.9 -62.4 -34.4 49.0 6.9 27.3 38 39 A T H X S+ 0 0 30 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.908 109.1 52.2 -68.9 -41.4 50.0 4.4 30.0 39 40 A L H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.937 112.5 44.2 -58.8 -48.5 50.2 1.6 27.4 40 41 A F H < S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.1 50.2 -66.5 -33.0 52.5 3.7 25.2 41 42 A A H < S+ 0 0 70 -4,-1.8 3,-0.4 -5,-0.2 -2,-0.2 0.906 119.3 33.5 -72.8 -44.1 54.6 4.7 28.2 42 43 A D H < S+ 0 0 74 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.686 129.8 35.3 -86.7 -20.1 55.2 1.3 29.7 43 44 A N >< + 0 0 34 -4,-2.1 3,-2.2 -5,-0.3 4,-0.3 -0.555 62.5 167.8-134.5 71.3 55.3 -0.6 26.4 44 45 A Q G > S+ 0 0 148 -3,-0.4 3,-1.2 1,-0.3 4,-0.4 0.738 71.0 73.1 -54.7 -26.7 56.9 1.7 23.8 45 46 A E G 3 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.582 91.4 57.8 -68.0 -8.5 57.3 -1.3 21.4 46 47 A T G X S+ 0 0 8 -3,-2.2 3,-1.6 -7,-0.2 4,-0.5 0.622 80.2 85.7 -95.5 -15.5 53.5 -1.1 20.7 47 48 A I G X S+ 0 0 59 -3,-1.2 3,-1.8 -4,-0.3 -1,-0.1 0.844 77.5 68.9 -53.6 -37.1 53.4 2.5 19.5 48 49 A G G > S+ 0 0 63 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.793 91.0 60.3 -54.0 -31.9 54.3 1.3 16.0 49 50 A Y G < S+ 0 0 102 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.737 98.8 59.2 -68.8 -22.8 50.9 -0.3 15.6 50 51 A F G X + 0 0 48 -3,-1.8 3,-1.5 -4,-0.5 4,-0.3 -0.050 61.6 132.2 -99.7 32.3 49.1 3.0 16.1 51 52 A K G X + 0 0 181 -3,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.811 66.4 62.6 -50.5 -38.1 50.7 4.9 13.2 52 53 A R G 3 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.795 93.8 62.5 -61.8 -29.6 47.3 6.2 12.0 53 54 A L G < S- 0 0 6 -3,-1.5 12,-0.3 1,-0.2 -1,-0.3 0.559 94.8-150.6 -75.3 -7.7 46.9 8.2 15.3 54 55 A G < + 0 0 52 -3,-1.5 2,-1.2 -4,-0.3 -1,-0.2 -0.523 63.9 11.3 77.3-139.5 49.9 10.3 14.6 55 56 A D > - 0 0 84 -2,-0.2 3,-1.3 1,-0.2 10,-0.1 -0.626 63.6-179.6 -79.9 95.7 51.9 11.7 17.5 56 57 A V G > S+ 0 0 12 -2,-1.2 3,-1.7 1,-0.3 -1,-0.2 0.667 71.1 76.5 -70.6 -16.9 50.4 9.8 20.5 57 58 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.671 80.9 72.1 -68.1 -14.6 52.7 11.6 23.0 58 59 A Q G X S- 0 0 102 -3,-1.3 3,-1.8 1,-0.2 -1,-0.3 0.609 81.4-178.1 -74.7 -12.9 50.4 14.6 22.6 59 60 A G G X + 0 0 9 -3,-1.7 3,-2.2 1,-0.3 7,-0.2 -0.223 63.7 9.7 55.1-128.7 47.8 12.7 24.6 60 61 A M G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.750 124.4 65.0 -54.5 -28.7 44.4 14.4 25.1 61 62 A A G < S+ 0 0 78 -3,-1.8 2,-0.8 4,-0.1 -1,-0.3 0.652 82.7 88.8 -71.3 -16.3 45.5 17.1 22.6 62 63 A N <> - 0 0 12 -3,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.762 64.7-161.2 -87.5 110.4 45.5 14.5 19.8 63 64 A D H > S+ 0 0 88 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.866 89.7 49.7 -58.9 -40.9 42.1 14.4 18.3 64 65 A K H > S+ 0 0 104 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 112.3 47.7 -67.3 -39.3 42.6 11.0 16.7 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.906 112.5 49.4 -67.8 -39.6 43.9 9.5 19.9 66 67 A R H X S+ 0 0 20 -4,-2.5 4,-2.3 -7,-0.2 5,-0.2 0.935 112.0 47.9 -65.1 -44.5 41.0 11.0 21.8 67 68 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 114.2 47.3 -61.4 -41.0 38.4 9.7 19.3 68 69 A H H X S+ 0 0 42 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.914 111.6 50.9 -64.8 -45.6 40.1 6.2 19.5 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.868 109.5 48.1 -62.8 -42.0 40.2 6.2 23.3 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.934 111.7 51.2 -65.7 -44.4 36.5 7.1 23.8 71 72 A T H X S+ 0 0 50 -4,-1.8 4,-0.8 -5,-0.2 3,-0.3 0.867 106.0 55.2 -59.8 -38.0 35.5 4.4 21.3 72 73 A L H >X S+ 0 0 48 -4,-2.0 4,-1.6 1,-0.2 3,-0.9 0.906 103.9 54.6 -63.1 -40.3 37.6 1.8 23.1 73 74 A M H 3X S+ 0 0 2 -4,-1.6 4,-1.9 1,-0.3 -1,-0.2 0.809 104.2 54.7 -64.6 -28.1 35.8 2.6 26.3 74 75 A Y H 3X S+ 0 0 12 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.3 0.692 102.0 58.0 -77.7 -17.5 32.5 1.9 24.6 75 76 A A H < S+ 0 0 9 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.922 111.2 49.7 -55.4 -49.1 31.4 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.903 108.6 52.8 -58.7 -43.2 30.0 -5.3 30.6 81 82 A D H 3< S+ 0 0 64 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.722 108.3 51.9 -66.6 -21.0 26.5 -5.0 29.2 82 83 A Q T X< S+ 0 0 22 -4,-1.2 3,-0.9 -3,-0.7 7,-0.5 0.362 75.4 103.4 -97.2 5.1 26.7 -8.5 27.7 83 84 A L T < S+ 0 0 8 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.760 74.8 61.2 -58.5 -25.4 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 0.861 107.2 43.6 -70.2 -36.3 24.4 -11.7 31.4 85 86 A N X> - 0 0 59 -3,-0.9 4,-2.3 1,-0.1 3,-0.9 -0.896 64.1-166.6-117.5 104.9 24.3 -13.7 28.2 86 87 A P H 3> S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.796 89.8 58.7 -57.0 -31.5 27.5 -15.6 27.3 87 88 A D H 3> S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -5,-0.0 0.857 111.0 41.4 -68.3 -34.2 26.4 -16.1 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.9 4,-1.6 -6,-0.2 5,-0.2 0.852 111.7 55.2 -80.2 -36.2 26.1 -12.4 23.2 89 90 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 -7,-0.5 -2,-0.2 0.930 108.0 51.0 -61.1 -43.9 29.3 -11.6 25.0 90 91 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.920 107.3 50.8 -61.8 -45.5 31.2 -14.0 22.7 91 92 A C H X S+ 0 0 7 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.836 113.2 45.1 -65.8 -30.2 29.9 -12.6 19.5 92 93 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.821 112.6 52.2 -80.5 -29.3 30.9 -9.0 20.5 93 94 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.909 108.6 49.8 -70.3 -40.8 34.3 -10.2 21.7 94 95 A E H X S+ 0 0 58 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.818 107.0 56.5 -67.0 -28.0 34.9 -12.0 18.4 95 96 A K H X S+ 0 0 31 -4,-1.0 4,-1.2 -5,-0.2 -1,-0.2 0.937 111.1 42.2 -67.1 -45.9 34.0 -8.8 16.6 96 97 A V H X S+ 0 0 22 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.884 111.2 57.5 -66.8 -38.2 36.7 -6.9 18.5 97 98 A A H >X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 3,-1.2 0.922 102.1 54.1 -58.3 -46.2 39.1 -9.8 18.1 98 99 A V H 3X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.872 101.9 58.6 -56.8 -39.6 38.8 -9.6 14.3 99 100 A N H 3< S+ 0 0 50 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.748 113.9 38.6 -63.2 -23.7 39.7 -5.9 14.4 100 101 A H H <<>S+ 0 0 62 -3,-1.2 5,-2.5 -4,-0.8 3,-0.3 0.750 107.9 59.9 -97.9 -29.0 43.0 -6.9 16.0 101 102 A I H ><5S+ 0 0 81 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.897 103.7 54.2 -64.4 -37.7 43.7 -10.0 14.1 102 103 A T T 3<5S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 106.6 51.3 -66.8 -25.4 43.7 -7.9 10.9 103 104 A R T 3 5S- 0 0 130 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.243 119.5-113.5 -93.8 11.4 46.3 -5.6 12.6 104 105 A K T < 5 + 0 0 164 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.870 59.5 160.6 59.2 41.1 48.4 -8.7 13.4 105 106 A I < - 0 0 24 -5,-2.5 -1,-0.2 4,-0.0 -2,-0.1 -0.853 26.0-149.8 -98.0 118.5 47.9 -8.4 17.2 106 107 A S > - 0 0 53 -2,-0.6 4,-2.4 39,-0.1 5,-0.2 -0.298 26.4-108.1 -82.1 168.1 48.6 -11.6 19.1 107 108 A A H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.889 119.7 53.2 -62.1 -39.9 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 0.910 112.3 42.8 -63.3 -43.9 50.3 -12.1 24.1 109 110 A E H >4 S+ 0 0 45 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.849 110.2 55.7 -72.7 -33.1 50.6 -8.5 22.9 110 111 A F H >< S+ 0 0 37 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.879 100.4 62.6 -64.4 -35.0 46.9 -7.9 23.5 111 112 A G G >< S+ 0 0 13 -4,-1.8 3,-1.8 1,-0.3 4,-0.3 0.600 78.9 84.1 -66.1 -10.7 47.5 -8.9 27.1 112 113 A K G < S+ 0 0 53 -3,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.583 75.0 74.3 -69.3 -6.3 49.9 -6.0 27.5 113 114 A I G <> S+ 0 0 30 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.680 76.5 77.3 -78.9 -17.6 46.8 -4.0 28.3 114 115 A N H <> S+ 0 0 51 -3,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.894 89.6 55.1 -59.1 -41.3 46.6 -5.6 31.7 115 116 A G H > S+ 0 0 35 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.963 110.1 44.4 -57.0 -55.4 49.4 -3.4 33.1 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.908 112.9 51.5 -56.5 -45.4 47.6 -0.2 32.1 117 118 A I H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.919 108.4 52.2 -59.4 -43.3 44.3 -1.4 33.4 118 119 A K H X S+ 0 0 82 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.919 112.9 44.6 -57.6 -46.1 45.9 -2.3 36.8 119 120 A K H X S+ 0 0 107 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.897 112.9 49.2 -67.5 -42.7 47.4 1.2 37.1 120 121 A V H < S+ 0 0 11 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.904 113.6 47.3 -65.1 -40.0 44.3 3.0 36.1 121 122 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.2 -5,-0.2 3,-1.6 0.924 109.1 54.9 -65.7 -42.8 42.2 1.0 38.5 122 123 A A H ><5S+ 0 0 59 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.859 100.7 58.5 -58.6 -37.8 44.8 1.6 41.3 123 124 A S T 3<5S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.653 107.1 48.8 -67.8 -13.8 44.6 5.4 40.8 124 125 A K T < 5S- 0 0 85 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.215 126.3-101.3-108.0 10.7 40.9 5.0 41.6 125 126 A N T < 5S+ 0 0 154 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.775 80.1 133.2 74.8 30.2 41.6 2.9 44.7 126 127 A F < - 0 0 32 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.949 40.0-159.9-112.8 112.2 40.7 -0.4 43.2 127 128 A G >> - 0 0 38 -2,-0.6 4,-1.7 -3,-0.1 3,-1.5 0.151 39.6 -61.4 -80.2-165.7 43.4 -3.0 44.0 128 129 A D H 3> S+ 0 0 103 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.781 123.8 67.0 -46.8 -38.0 44.7 -6.3 42.6 129 130 A K H 3> S+ 0 0 126 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.900 108.9 37.8 -53.8 -43.0 41.3 -8.0 43.3 130 131 A Y H <> S+ 0 0 40 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.836 112.8 56.0 -78.5 -34.5 39.7 -5.8 40.6 131 132 A A H X S+ 0 0 8 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.891 108.3 49.7 -64.3 -37.9 42.7 -6.0 38.3 132 133 A N H X S+ 0 0 93 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.848 107.4 54.5 -68.5 -34.9 42.5 -9.8 38.4 133 134 A A H X S+ 0 0 5 -4,-1.1 4,-1.0 -5,-0.3 3,-0.4 0.933 111.0 44.8 -64.3 -45.6 38.8 -9.6 37.6 134 135 A W H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.817 104.9 62.7 -68.2 -30.5 39.5 -7.5 34.5 135 136 A A H X S+ 0 0 30 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.860 102.1 52.3 -62.5 -33.8 42.4 -9.8 33.5 136 137 A K H X S+ 0 0 82 -4,-1.3 4,-0.7 -3,-0.4 -1,-0.2 0.832 108.7 48.5 -71.9 -32.3 39.8 -12.6 33.2 137 138 A L H >X S+ 0 0 3 -4,-1.0 4,-1.0 2,-0.2 3,-0.9 0.907 111.2 49.9 -72.6 -41.1 37.6 -10.5 30.9 138 139 A V H 3X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.3 3,-0.5 0.862 103.0 63.0 -62.9 -33.9 40.7 -9.6 28.8 139 140 A A H 3X S+ 0 0 36 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.773 94.5 60.6 -61.9 -27.3 41.4 -13.3 28.7 140 141 A V H << S+ 0 0 0 -3,-0.9 4,-0.4 -4,-0.7 -1,-0.2 0.901 107.5 43.9 -67.9 -39.7 38.2 -13.9 26.8 141 142 A V H >< S+ 0 0 1 -4,-1.0 3,-1.7 -3,-0.5 4,-0.4 0.913 109.3 56.8 -70.5 -41.9 39.4 -11.7 24.0 142 143 A Q H >< S+ 0 0 51 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.865 99.3 60.8 -56.6 -36.2 42.8 -13.3 24.0 143 144 A A T 3< S+ 0 0 41 -4,-1.7 -141,-0.3 1,-0.3 -1,-0.3 0.696 104.4 49.5 -65.2 -18.8 41.1 -16.7 23.5 144 145 A A T < 0 0 25 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.435 360.0 360.0 -99.5 -1.3 39.7 -15.4 20.2 145 146 A L < 0 0 66 -3,-1.4 -39,-0.1 -4,-0.4 -47,-0.1 -0.340 360.0 360.0 -93.5 360.0 43.1 -14.1 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,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 171.8 33.0 21.1 7.9 148 3 B V H > + 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 360.0 56.0 -67.6 -38.1 32.1 18.3 10.3 149 4 B Y H > S+ 0 0 111 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.917 105.3 51.4 -59.8 -44.2 32.4 20.8 13.2 150 5 B D H > S+ 0 0 83 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.878 109.9 49.3 -61.1 -39.4 29.8 23.1 11.5 151 6 B A H < S+ 0 0 28 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.882 115.4 43.7 -67.8 -38.7 27.4 20.2 11.1 152 7 B A H >< S+ 0 0 1 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.939 110.2 53.1 -71.6 -48.9 27.8 19.2 14.8 153 8 B A H 3< S+ 0 0 47 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.693 101.0 66.6 -60.1 -17.4 27.6 22.7 16.1 154 9 B Q T 3< S+ 0 0 127 -4,-0.7 2,-0.8 -5,-0.2 -1,-0.3 0.498 70.6 108.1 -83.4 -5.6 24.4 23.0 14.1 155 10 B L < - 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