==== 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 3UH5 . 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) . 13541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 87.2 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 57.9 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 93 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 117.9 38.5 -21.6 23.7 2 3 A V H > + 0 0 12 141,-0.3 4,-2.6 1,-0.2 5,-0.1 0.828 360.0 55.8 -59.4 -33.1 36.6 -18.4 24.0 3 4 A Y H > S+ 0 0 123 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.880 109.0 44.8 -69.0 -38.9 33.6 -20.3 25.5 4 5 A D H > S+ 0 0 112 -3,-0.3 4,-0.5 2,-0.2 3,-0.3 0.922 113.2 52.0 -69.8 -42.1 35.7 -21.9 28.3 5 6 A A H >< S+ 0 0 17 -4,-2.5 3,-1.9 1,-0.3 4,-0.3 0.932 107.3 52.0 -57.4 -47.2 37.3 -18.5 28.9 6 7 A A H >< S+ 0 0 10 -4,-2.6 3,-1.4 1,-0.3 -1,-0.3 0.809 101.2 62.4 -59.7 -30.2 33.8 -16.9 29.2 7 8 A A H 3< S+ 0 0 69 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.644 89.9 70.0 -70.3 -14.1 32.9 -19.6 31.7 8 9 A Q T << S+ 0 0 112 -3,-1.9 2,-1.9 -4,-0.5 -1,-0.3 0.655 73.1 94.1 -76.7 -16.4 35.6 -18.2 33.9 9 10 A L < + 0 0 15 -3,-1.4 -1,-0.1 -4,-0.3 -3,-0.0 -0.547 64.3 179.0 -79.8 80.2 33.5 -15.1 34.5 10 11 A T > - 0 0 68 -2,-1.9 4,-2.7 1,-0.1 5,-0.3 -0.147 44.6 -88.7 -76.3 174.6 31.8 -16.3 37.7 11 12 A A H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.882 126.8 43.8 -51.6 -47.6 29.3 -14.4 39.9 12 13 A D H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.836 112.5 52.1 -71.8 -32.5 31.9 -12.6 42.0 13 14 A V H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 110.8 48.0 -68.2 -43.2 34.1 -11.8 39.0 14 15 A K H X S+ 0 0 54 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.868 110.0 52.8 -64.0 -36.9 31.2 -10.2 37.2 15 16 A K H X S+ 0 0 115 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.915 109.7 48.2 -65.4 -42.8 30.2 -8.2 40.4 16 17 A D H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.872 110.2 52.0 -65.8 -37.4 33.8 -6.8 40.6 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.948 113.7 43.9 -63.6 -47.4 33.8 -5.9 37.0 18 19 A R H X S+ 0 0 81 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.937 113.2 49.7 -62.9 -50.7 30.5 -4.0 37.3 19 20 A D H X S+ 0 0 54 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.936 117.0 41.1 -55.3 -50.1 31.3 -2.3 40.6 20 21 A S H >X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.9 0.868 110.0 57.9 -67.6 -37.3 34.7 -1.0 39.3 21 22 A W H 3X S+ 0 0 16 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.819 94.2 67.1 -63.8 -29.4 33.3 -0.1 35.9 22 23 A K H 3< S+ 0 0 165 -4,-1.8 -1,-0.3 -3,-0.3 4,-0.2 0.869 111.6 34.4 -58.4 -35.5 30.8 2.2 37.5 23 24 A V H X< S+ 0 0 61 -3,-0.9 3,-1.0 -4,-0.6 4,-0.4 0.946 124.3 39.5 -83.3 -56.4 33.7 4.4 38.5 24 25 A I H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 7,-0.3 0.894 113.2 55.9 -62.1 -40.8 36.1 3.9 35.6 25 26 A G G >< S+ 0 0 5 -4,-2.9 3,-0.6 -5,-0.3 -1,-0.2 0.651 90.6 75.3 -68.0 -13.9 33.3 4.1 33.0 26 27 A S G < S+ 0 0 96 -3,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.764 103.2 37.0 -69.4 -26.3 32.1 7.4 34.3 27 28 A D G <> + 0 0 72 -3,-1.3 4,-2.9 -4,-0.4 5,-0.4 -0.636 67.6 162.9-127.9 75.1 35.0 9.2 32.6 28 29 A K H <> S+ 0 0 37 -3,-0.6 4,-1.8 -2,-0.3 5,-0.3 0.873 76.9 47.5 -59.7 -43.0 35.6 7.4 29.3 29 30 A K H > S+ 0 0 61 3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.953 118.3 40.1 -65.8 -50.0 37.7 10.2 27.8 30 31 A G H > S+ 0 0 20 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.953 123.6 36.8 -65.3 -52.5 39.9 10.7 30.8 31 32 A N H X S+ 0 0 7 -4,-2.9 4,-2.0 -7,-0.3 -3,-0.2 0.809 115.0 56.5 -72.1 -29.8 40.4 7.0 31.7 32 33 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.4 -2,-0.2 0.950 110.3 43.2 -65.9 -48.6 40.5 5.9 28.1 33 34 A V H X S+ 0 0 8 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.834 111.3 56.8 -65.5 -31.5 43.4 8.2 27.2 34 35 A A H X S+ 0 0 28 -4,-1.5 4,-2.0 2,-0.2 5,-0.2 0.904 104.7 52.2 -65.8 -41.3 45.0 7.2 30.5 35 36 A F H X S+ 0 0 6 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.953 114.4 42.9 -57.6 -50.8 44.9 3.5 29.4 36 37 A M H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.918 113.3 47.7 -64.8 -49.5 46.6 4.3 26.1 37 38 A T H X S+ 0 0 52 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.879 112.3 50.9 -63.2 -35.3 49.3 6.7 27.3 38 39 A T H X S+ 0 0 29 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.894 108.5 53.3 -67.4 -37.8 50.3 4.3 30.0 39 40 A L H X S+ 0 0 15 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.937 111.0 45.0 -60.1 -48.3 50.5 1.6 27.4 40 41 A F H < S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.757 114.9 49.6 -68.0 -26.0 52.8 3.6 25.3 41 42 A A H < S+ 0 0 67 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.876 118.6 35.2 -80.8 -40.4 54.9 4.6 28.3 42 43 A D H < S+ 0 0 69 -4,-2.6 2,-0.2 1,-0.2 -2,-0.2 0.737 130.3 32.2 -85.7 -26.2 55.4 1.1 29.7 43 44 A N >< + 0 0 35 -4,-2.3 3,-2.1 -5,-0.3 4,-0.4 -0.598 62.0 168.4-133.5 74.2 55.6 -0.7 26.4 44 45 A Q G > S+ 0 0 146 -3,-0.4 3,-1.2 1,-0.3 4,-0.4 0.752 72.1 73.0 -56.0 -27.0 57.2 1.6 23.8 45 46 A E G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.625 91.6 57.5 -66.5 -11.5 57.5 -1.4 21.4 46 47 A T G X S+ 0 0 8 -3,-2.1 3,-1.6 -7,-0.2 4,-0.5 0.665 81.3 86.1 -91.3 -18.6 53.7 -1.3 20.8 47 48 A I G X S+ 0 0 60 -3,-1.2 3,-1.5 -4,-0.4 -1,-0.2 0.813 77.2 67.5 -50.9 -36.9 53.7 2.3 19.6 48 49 A G G > S+ 0 0 49 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.801 90.4 62.5 -56.7 -31.8 54.5 1.3 16.0 49 50 A Y G < S+ 0 0 96 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.745 97.1 59.7 -65.8 -24.7 51.1 -0.4 15.6 50 51 A F G X + 0 0 49 -3,-1.5 3,-1.7 -4,-0.5 4,-0.4 -0.043 61.2 132.9 -97.6 32.0 49.3 2.9 16.1 51 52 A K G X + 0 0 165 -3,-1.0 3,-1.3 1,-0.3 -1,-0.2 0.817 66.3 62.9 -49.8 -38.1 50.9 4.8 13.1 52 53 A R G 3 S+ 0 0 92 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.784 93.7 62.5 -61.2 -28.8 47.5 6.1 12.0 53 54 A L G < S- 0 0 6 -3,-1.7 12,-0.4 1,-0.2 2,-0.3 0.646 95.6-146.8 -74.5 -14.6 47.0 8.0 15.2 54 55 A G < + 0 0 51 -3,-1.3 2,-1.3 -4,-0.4 -1,-0.2 -0.663 64.3 7.7 88.2-140.4 50.0 10.3 14.6 55 56 A D > - 0 0 81 -2,-0.3 3,-1.6 1,-0.2 10,-0.1 -0.661 62.6-177.0 -83.2 94.0 52.1 11.6 17.5 56 57 A V G > S+ 0 0 12 -2,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.629 72.3 78.4 -66.8 -12.8 50.7 9.7 20.5 57 58 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.695 79.2 71.5 -69.9 -16.8 53.0 11.5 22.8 58 59 A Q G X S- 0 0 100 -3,-1.6 3,-2.2 1,-0.2 -1,-0.3 0.535 81.7-177.2 -74.8 -6.7 50.6 14.5 22.6 59 60 A G G X + 0 0 9 -3,-1.6 3,-2.1 1,-0.3 -1,-0.2 -0.158 65.3 9.8 49.5-126.3 48.2 12.5 24.6 60 61 A M G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.690 123.9 65.8 -57.2 -23.2 44.8 14.3 25.1 61 62 A A G < S+ 0 0 77 -3,-2.2 2,-0.8 4,-0.0 -1,-0.3 0.609 81.0 90.9 -77.1 -12.1 45.8 17.0 22.6 62 63 A N <> - 0 0 11 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 -0.773 63.0-161.8 -88.9 109.3 45.8 14.4 19.8 63 64 A D H > S+ 0 0 88 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.893 90.7 49.6 -56.4 -44.8 42.3 14.3 18.3 64 65 A K H > S+ 0 0 109 -11,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 112.3 47.5 -62.8 -42.8 42.8 10.9 16.7 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.899 112.8 49.6 -65.5 -39.7 44.1 9.4 19.9 66 67 A R H X S+ 0 0 24 -4,-2.6 4,-2.4 -7,-0.2 5,-0.2 0.934 111.6 47.7 -65.4 -45.9 41.2 10.9 21.9 67 68 A G H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.919 114.7 46.9 -60.1 -43.9 38.6 9.6 19.4 68 69 A H H X S+ 0 0 36 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.942 111.9 50.6 -61.3 -50.5 40.3 6.2 19.5 69 70 A S H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.870 110.2 48.0 -57.6 -44.6 40.5 6.1 23.3 70 71 A I H >X S+ 0 0 1 -4,-2.4 4,-1.1 1,-0.2 3,-0.5 0.963 111.6 50.2 -62.3 -50.9 36.8 7.0 23.8 71 72 A T H >X S+ 0 0 20 -4,-2.0 4,-1.0 1,-0.3 3,-0.6 0.866 105.3 58.5 -54.9 -38.8 35.7 4.4 21.4 72 73 A L H >X S+ 0 0 45 -4,-2.2 4,-1.7 1,-0.3 3,-0.8 0.910 102.2 53.9 -58.4 -42.3 37.9 1.9 23.2 73 74 A M H X S+ 0 0 12 -4,-1.9 3,-1.1 1,-0.2 4,-0.6 0.945 108.9 51.9 -59.0 -50.4 31.5 -6.3 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.2 1,-0.3 4,-0.2 0.902 108.3 51.6 -53.5 -45.4 30.1 -5.3 30.5 81 82 A D H 3< S+ 0 0 68 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.707 108.8 51.2 -67.2 -21.0 26.5 -5.2 29.1 82 83 A Q H X< S+ 0 0 21 -3,-1.1 3,-1.4 -4,-1.0 7,-0.5 0.441 77.0 102.7 -96.3 0.4 26.8 -8.7 27.6 83 84 A L T << S+ 0 0 7 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.753 76.7 57.8 -54.0 -28.2 28.0 -10.4 30.8 84 85 A D T 3 S+ 0 0 120 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.800 108.5 47.2 -74.1 -28.7 24.6 -11.8 31.4 85 86 A N X> - 0 0 55 -3,-1.4 4,-2.6 1,-0.1 3,-0.7 -0.870 62.8-171.1-119.3 99.5 24.5 -13.6 28.1 86 87 A P H 3> S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.796 88.4 58.8 -57.4 -29.5 27.7 -15.6 27.2 87 88 A D H 3> S+ 0 0 98 2,-0.2 4,-1.3 1,-0.2 -5,-0.0 0.888 112.0 39.9 -67.7 -37.4 26.4 -16.2 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-1.5 -6,-0.2 5,-0.2 0.855 112.7 54.9 -78.8 -36.5 26.2 -12.5 23.1 89 90 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 -7,-0.5 3,-0.3 0.950 107.9 51.3 -60.0 -48.0 29.4 -11.7 24.9 90 91 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.887 106.5 51.9 -57.6 -44.7 31.3 -14.2 22.7 91 92 A C H X S+ 0 0 6 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.840 112.3 45.3 -66.1 -31.6 30.0 -12.7 19.4 92 93 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.864 111.7 52.5 -78.6 -34.3 31.1 -9.2 20.3 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 109.4 49.2 -64.1 -43.5 34.5 -10.3 21.6 94 95 A E H X S+ 0 0 64 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.830 107.6 56.5 -65.3 -30.7 35.1 -12.2 18.3 95 96 A K H X S+ 0 0 32 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.946 111.9 40.3 -65.7 -48.4 34.1 -9.0 16.4 96 97 A F H X S+ 0 0 35 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.806 108.7 61.9 -70.6 -29.3 36.7 -6.9 18.2 97 98 A A H >X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 3,-0.9 0.920 100.4 53.9 -61.8 -43.4 39.3 -9.7 18.0 98 99 A V H 3X S+ 0 0 43 -4,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.895 101.0 60.0 -57.1 -41.1 39.1 -9.6 14.2 99 100 A N H 3< S+ 0 0 38 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.815 115.3 35.2 -57.1 -30.6 39.9 -5.8 14.4 100 101 A H H <<>S+ 0 0 66 -4,-1.0 5,-2.4 -3,-0.9 3,-0.5 0.774 109.9 60.6 -94.8 -31.2 43.1 -6.8 16.1 101 102 A I H ><5S+ 0 0 79 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.911 105.2 51.2 -61.5 -40.5 43.9 -10.0 14.2 102 103 A T T 3<5S+ 0 0 96 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.697 107.0 54.1 -69.6 -19.0 43.9 -7.9 11.0 103 104 A R T 3 5S- 0 0 130 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.298 118.8-114.2 -95.3 7.5 46.4 -5.6 12.7 104 105 A K T < 5 + 0 0 174 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.831 59.9 158.2 64.4 36.2 48.6 -8.6 13.5 105 106 A I < - 0 0 23 -5,-2.4 -1,-0.2 -8,-0.2 -2,-0.1 -0.829 27.1-151.2 -96.5 119.6 48.1 -8.4 17.3 106 107 A S > - 0 0 52 -2,-0.6 4,-2.0 39,-0.1 5,-0.2 -0.272 28.6-107.3 -81.4 171.0 48.8 -11.6 19.1 107 108 A A H > S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.896 120.5 54.6 -64.3 -39.3 47.3 -12.8 22.4 108 109 A A H 4 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.909 111.3 41.4 -61.6 -47.2 50.6 -12.0 24.1 109 110 A E H >4 S+ 0 0 48 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.826 111.1 57.0 -72.8 -29.5 50.8 -8.4 22.9 110 111 A F H >< S+ 0 0 38 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.822 99.9 61.3 -68.0 -29.7 47.1 -7.9 23.6 111 112 A G G >< S+ 0 0 13 -4,-1.5 3,-1.8 1,-0.3 4,-0.3 0.623 80.3 83.4 -71.5 -13.0 47.8 -8.9 27.2 112 113 A K G < S+ 0 0 55 -3,-1.1 3,-0.5 -4,-0.3 -1,-0.3 0.586 75.6 73.7 -67.1 -7.9 50.2 -6.0 27.6 113 114 A I G <> S+ 0 0 31 -3,-1.2 4,-2.3 1,-0.2 -1,-0.3 0.685 77.0 77.1 -78.1 -18.4 47.1 -3.9 28.3 114 115 A N H <> S+ 0 0 51 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.868 88.8 57.4 -59.2 -37.3 46.8 -5.5 31.8 115 116 A G H > S+ 0 0 29 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.970 109.0 42.5 -58.6 -57.4 49.6 -3.4 33.0 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.909 113.6 52.6 -56.5 -45.6 47.9 -0.1 32.2 117 118 A I H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.913 109.2 48.7 -59.0 -44.5 44.5 -1.2 33.5 118 119 A K H X S+ 0 0 104 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.914 113.9 47.4 -62.8 -41.5 46.0 -2.3 36.9 119 120 A K H X S+ 0 0 108 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.944 112.4 47.1 -65.3 -50.1 47.8 1.0 37.3 120 121 A V H < S+ 0 0 9 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.917 114.0 48.3 -59.1 -44.2 44.8 3.2 36.4 121 122 A L H ><>S+ 0 0 2 -4,-2.4 5,-2.4 -5,-0.3 3,-1.4 0.912 108.4 55.0 -62.0 -41.8 42.5 1.2 38.7 122 123 A A H ><5S+ 0 0 57 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.892 103.5 53.9 -59.0 -41.3 45.1 1.5 41.5 123 124 A S T 3<5S+ 0 0 91 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.632 107.4 53.4 -68.4 -11.8 45.1 5.3 41.1 124 125 A K T < 5S- 0 0 81 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.270 126.6-104.2-102.7 6.5 41.4 5.0 41.6 125 126 A N T < 5S+ 0 0 154 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.760 80.3 132.0 75.7 27.7 41.9 3.0 44.8 126 127 A F < - 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0 0 25 -5,-2.4 -1,-0.2 4,-0.0 -2,-0.1 -0.833 26.1-146.8 -94.9 116.2 31.4 3.9 1.5 252 107 B S > - 0 0 43 -2,-0.7 4,-2.4 39,-0.1 5,-0.2 -0.265 24.9-109.0 -77.8 166.5 30.3 7.3 0.1 253 108 B A H > S+ 0 0 28 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.883 121.2 51.6 -61.0 -39.0 28.3 9.9 1.9 254 109 B A H 4 S+ 0 0 76 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.916 111.0 45.8 -64.7 -45.1 25.3 9.1 -0.3 255 110 B E H >4 S+ 0 0 54 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.856 108.7 55.7 -68.1 -35.2 25.5 5.4 0.4 256 111 B F H >< S+ 0 0 40 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.853 98.6 63.8 -65.4 -32.5 25.9 6.0 4.1 257 112 B G G >< S+ 0 0 13 -4,-1.4 3,-1.9 1,-0.3 4,-0.3 0.626 79.4 84.2 -66.4 -12.5 22.7 8.0 4.0 258 113 B K G X S+ 0 0 60 -3,-1.4 3,-0.8 -4,-0.3 -1,-0.3 0.715 74.8 72.4 -63.1 -19.2 20.9 4.8 3.0 259 114 B I G <> S+ 0 0 32 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.704 78.2 79.0 -69.4 -18.1 20.7 4.0 6.7 260 115 B N H <> S+ 0 0 47 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.877 87.8 54.7 -58.0 -41.2 18.1 6.7 7.1 261 116 B G H <> S+ 0 0 38 -3,-0.8 4,-2.3 -4,-0.3 -1,-0.2 0.962 110.3 44.1 -58.5 -54.6 15.3 4.6 5.7 262 117 B P H > S+ 0 0 1 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.911 113.2 51.2 -57.2 -45.7 15.8 1.7 8.2 263 118 B I H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.912 109.8 51.0 -58.9 -42.9 16.1 4.1 11.1 264 119 B K H X S+ 0 0 106 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.923 112.7 45.2 -61.2 -46.1 12.9 5.8 10.1 265 120 B K H X S+ 0 0 113 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.922 114.0 47.7 -64.9 -46.0 11.0 2.5 9.9 266 121 B V H X S+ 0 0 8 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.927 111.9 50.4 -62.0 -44.2 12.4 1.2 13.2 267 122 B L H ><>S+ 0 0 2 -4,-2.7 5,-2.4 -5,-0.3 3,-1.2 0.926 109.5 52.4 -57.4 -45.0 11.6 4.5 15.0 268 123 B A H ><5S+ 0 0 55 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.832 99.5 61.1 -61.2 -36.0 8.1 4.2 13.5 269 124 B S H 3<5S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.737 108.7 45.4 -64.5 -20.2 7.6 0.7 14.9 270 125 B K T <<5S- 0 0 83 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.246 125.4-105.7-103.7 8.3 8.1 2.3 18.3 271 126 B N T < 5S+ 0 0 153 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.724 73.2 140.4 74.8 25.2 5.8 5.2 17.5 272 127 B F < - 0 0 29 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.898 40.2-151.8 -99.9 113.4 8.4 7.9 17.0 273 128 B G >> - 0 0 41 -2,-0.7 4,-1.8 -3,-0.1 3,-0.9 0.188 33.7 -67.6 -75.4-167.0 7.3 10.0 14.0 274 129 B D H 3> S+ 0 0 102 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.816 125.7 62.7 -51.5 -40.5 8.8 12.1 11.2 275 130 B K H 3> S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.918 109.1 42.4 -53.9 -43.8 10.0 14.7 13.7 276 131 B Y H <> S+ 0 0 50 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.857 111.8 53.9 -71.7 -35.6 12.2 12.1 15.3 277 132 B A H X S+ 0 0 13 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.874 108.2 50.7 -66.1 -36.6 13.3 10.6 11.9 278 133 B N H X S+ 0 0 98 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.855 106.3 55.1 -68.8 -35.5 14.4 14.1 10.9 279 134 B A H X S+ 0 0 4 -4,-1.4 4,-1.2 -5,-0.2 3,-0.3 0.939 110.6 44.9 -61.9 -46.8 16.4 14.5 14.1 280 135 B W H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.842 106.5 59.0 -66.9 -33.2 18.3 11.3 13.3 281 136 B A H X S+ 0 0 34 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.858 104.3 53.8 -63.0 -32.7 18.8 12.3 9.7 282 137 B K H X S+ 0 0 92 -4,-1.5 4,-0.7 -3,-0.3 -1,-0.2 0.852 108.5 46.8 -69.5 -36.0 20.6 15.3 11.1 283 138 B L H >X S+ 0 0 3 -4,-1.2 4,-1.1 2,-0.2 3,-0.9 0.909 111.3 51.7 -72.0 -41.4 23.0 13.2 13.2 284 139 B V H >X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.3 3,-0.5 0.889 103.1 60.3 -60.1 -38.8 23.6 10.9 10.2 285 140 B A H 3X S+ 0 0 39 -4,-1.9 4,-2.0 1,-0.3 -1,-0.3 0.765 95.4 62.2 -61.3 -26.7 24.4 14.1 8.2 286 141 B V H << S+ 0 0 0 -3,-0.9 4,-0.4 -4,-0.7 -1,-0.3 0.922 106.9 43.8 -65.4 -42.3 27.2 14.8 10.6 287 142 B V H X< S+ 0 0 5 -4,-1.1 3,-1.8 -3,-0.5 4,-0.3 0.914 109.9 56.5 -67.1 -42.5 28.9 11.6 9.6 288 143 B Q H >< S+ 0 0 51 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.855 96.8 63.0 -57.6 -36.2 28.2 12.3 5.9 289 144 B A T 3< S+ 0 0 51 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.722 104.0 50.5 -61.7 -19.6 30.1 15.6 6.3 290 145 B A T < 0 0 23 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.465 360.0 360.0 -97.2 -3.9 33.1 13.5 7.0 291 146 B L < 0 0 70 -3,-1.8 -39,-0.1 -4,-0.3 -47,-0.1 -0.574 360.0 360.0-108.3 360.0 32.8 11.2 4.0