==== 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 3UHY . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR Z.REN,V.SRAJER,J.E.KNAPP,W.E.ROYER JR. . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 86.9 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 . 70 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 57.4 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 1 1 0 0 0 2 3 0 3 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 1 A P 0 0 148 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.3 17.0 -11.6 26.3 2 2 A S >> - 0 0 52 1,-0.1 4,-1.9 143,-0.1 3,-0.8 -0.308 360.0-117.0 -59.8 149.3 13.9 -11.5 24.1 3 3 A V H 3> S+ 0 0 10 141,-0.4 4,-2.2 1,-0.3 5,-0.1 0.799 113.4 57.6 -59.1 -30.2 11.8 -8.4 24.5 4 4 A Y H 3> S+ 0 0 141 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.849 108.2 45.3 -70.5 -33.6 8.9 -10.3 25.8 5 5 A D H <4 S+ 0 0 101 -3,-0.8 4,-0.3 2,-0.2 -2,-0.2 0.834 112.6 52.0 -76.6 -33.7 10.9 -11.8 28.7 6 6 A A H >< S+ 0 0 14 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.901 104.9 54.5 -68.8 -41.4 12.4 -8.4 29.5 7 7 A A H >< S+ 0 0 12 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.812 100.8 61.8 -62.2 -28.9 9.0 -6.7 29.7 8 8 A A T 3< S+ 0 0 71 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.650 89.7 69.6 -72.1 -14.4 8.1 -9.4 32.2 9 9 A Q T < S+ 0 0 104 -3,-1.6 2,-1.8 -4,-0.3 -1,-0.3 0.596 71.6 98.2 -78.7 -10.9 10.8 -8.1 34.5 10 10 A L < - 0 0 16 -3,-1.3 -1,-0.1 -4,-0.3 -3,-0.0 -0.596 64.2-175.1 -80.2 85.4 8.8 -4.9 35.0 11 11 A T > - 0 0 74 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.130 39.6 -90.1 -75.1 174.8 7.3 -6.0 38.4 12 12 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.904 125.6 41.2 -53.7 -51.1 4.7 -4.1 40.4 13 13 A D H > S+ 0 0 119 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.822 112.0 55.7 -71.0 -30.9 7.2 -2.0 42.5 14 14 A V H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.943 110.3 46.1 -64.8 -45.2 9.4 -1.4 39.5 15 15 A K H X S+ 0 0 58 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 112.6 50.4 -62.5 -42.3 6.5 0.1 37.6 16 16 A K H X S+ 0 0 108 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.916 110.7 48.5 -63.5 -43.8 5.5 2.1 40.7 17 17 A D H X S+ 0 0 18 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.850 109.3 54.1 -66.5 -31.8 9.0 3.5 41.1 18 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.944 111.7 44.6 -65.7 -46.3 9.1 4.4 37.4 19 19 A R H X S+ 0 0 79 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.929 111.8 51.0 -63.8 -48.5 5.8 6.4 37.7 20 20 A D H X S+ 0 0 56 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.891 116.0 41.6 -58.5 -41.2 6.7 8.2 40.9 21 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 3,-0.9 0.893 112.6 53.1 -74.4 -39.8 10.1 9.3 39.5 22 22 A W H 3X S+ 0 0 15 -4,-2.5 4,-3.3 1,-0.3 5,-0.2 0.845 96.3 68.6 -63.7 -32.9 8.7 10.2 36.1 23 23 A K H 3< S+ 0 0 161 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.866 113.9 29.9 -53.6 -35.4 6.1 12.4 37.7 24 24 A V H X< S+ 0 0 63 -3,-0.9 3,-1.4 -4,-0.6 4,-0.5 0.920 123.9 45.1 -88.8 -53.4 9.0 14.7 38.7 25 25 A I H >< S+ 0 0 12 -4,-2.8 3,-0.9 1,-0.3 7,-0.2 0.880 112.1 52.5 -58.8 -42.2 11.4 14.1 35.8 26 26 A G G >< S+ 0 0 8 -4,-3.3 3,-0.5 -5,-0.2 -1,-0.3 0.506 89.8 81.2 -75.1 -3.2 8.7 14.3 33.2 27 27 A S G < S+ 0 0 96 -3,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.819 102.2 32.1 -70.5 -33.2 7.5 17.7 34.6 28 28 A D G <> + 0 0 79 -3,-0.9 4,-2.6 -4,-0.5 5,-0.4 -0.690 69.3 167.1-127.6 78.1 10.3 19.5 32.8 29 29 A K H <> S+ 0 0 30 -3,-0.5 4,-1.7 -2,-0.3 5,-0.2 0.855 77.3 48.2 -59.1 -41.0 11.0 17.7 29.5 30 30 A K H > S+ 0 0 63 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.955 116.5 41.2 -67.8 -50.6 13.1 20.4 27.9 31 31 A G H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.942 123.2 37.2 -63.5 -50.4 15.3 21.0 31.0 32 32 A N H X S+ 0 0 12 -4,-2.6 4,-2.1 -7,-0.2 -1,-0.2 0.818 114.3 56.9 -73.2 -31.2 15.8 17.4 31.9 33 33 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.4 -2,-0.2 0.937 111.3 42.2 -64.8 -45.6 15.9 16.2 28.3 34 34 A V H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.862 112.7 53.3 -68.6 -37.2 18.8 18.5 27.6 35 35 A A H X S+ 0 0 34 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.888 108.1 52.6 -64.9 -36.9 20.5 17.7 30.8 36 36 A L H X S+ 0 0 10 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.940 113.3 42.0 -63.1 -49.6 20.3 14.0 29.9 37 37 A M H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.918 113.4 50.9 -65.7 -46.2 21.9 14.5 26.5 38 38 A T H X S+ 0 0 49 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.887 110.8 50.4 -60.5 -38.1 24.6 16.9 27.7 39 39 A T H X S+ 0 0 31 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.880 108.7 52.1 -67.6 -37.6 25.5 14.4 30.4 40 40 A L H X S+ 0 0 15 -4,-1.7 4,-2.1 1,-0.2 7,-0.2 0.937 111.6 46.2 -62.7 -46.7 25.7 11.6 27.9 41 41 A F H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.781 114.8 48.5 -67.4 -26.5 28.0 13.6 25.7 42 42 A A H < S+ 0 0 67 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.879 118.5 36.7 -80.9 -40.4 30.2 14.6 28.7 43 43 A D H < S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.685 132.0 28.6 -85.6 -20.5 30.5 11.1 30.1 44 44 A N >< + 0 0 34 -4,-2.1 3,-2.5 -5,-0.3 4,-0.3 -0.509 61.8 169.7-141.1 70.3 30.8 9.3 26.8 45 45 A Q G > S+ 0 0 148 -3,-0.4 3,-1.4 1,-0.3 4,-0.4 0.713 73.2 75.4 -53.5 -22.8 32.3 11.7 24.2 46 46 A E G > S+ 0 0 104 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.729 87.6 60.4 -64.4 -20.7 32.6 8.7 21.8 47 47 A T G X S+ 0 0 5 -3,-2.5 3,-1.4 -7,-0.2 4,-0.5 0.620 80.6 84.1 -82.2 -13.1 28.8 8.8 21.2 48 48 A I G X S+ 0 0 66 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.2 0.820 77.1 69.9 -59.0 -31.2 29.0 12.4 19.8 49 49 A G G X S+ 0 0 40 -3,-0.6 3,-0.9 -4,-0.4 -1,-0.3 0.801 91.8 58.1 -57.8 -30.5 29.8 10.9 16.4 50 50 A Y G < S+ 0 0 108 -3,-1.4 3,-0.3 1,-0.2 -1,-0.3 0.710 103.3 54.6 -72.6 -20.5 26.3 9.5 16.0 51 51 A F G X + 0 0 46 -3,-1.5 3,-1.6 -4,-0.5 4,-0.5 -0.096 61.8 131.8-106.5 34.2 24.8 13.0 16.4 52 52 A K G X + 0 0 178 -3,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.846 69.2 62.9 -51.9 -38.0 26.8 14.8 13.6 53 53 A R G 3 S+ 0 0 97 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.768 91.9 64.3 -60.8 -29.0 23.5 16.3 12.4 54 54 A L G < S- 0 0 6 -3,-1.6 12,-0.4 1,-0.2 2,-0.3 0.672 92.8-154.5 -70.5 -18.1 22.9 18.2 15.6 55 55 A G < + 0 0 51 -3,-1.4 2,-1.4 -4,-0.5 -1,-0.2 -0.577 62.4 16.3 82.4-141.1 26.0 20.3 15.1 56 56 A D > - 0 0 81 -2,-0.3 3,-1.3 1,-0.2 4,-0.2 -0.566 64.8-177.6 -75.8 95.2 27.9 21.9 18.0 57 57 A V G > S+ 0 0 16 -2,-1.4 3,-1.1 1,-0.3 -1,-0.2 0.624 71.9 73.0 -67.7 -16.8 26.5 19.9 20.9 58 58 A S G 3 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.633 80.1 74.7 -75.6 -12.3 28.4 21.9 23.5 59 59 A Q G X S- 0 0 105 -3,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.685 79.9-177.1 -72.0 -18.2 26.1 24.8 23.0 60 60 A G G X + 0 0 11 -3,-1.1 3,-2.7 1,-0.3 7,-0.3 -0.297 63.0 9.1 60.8-134.8 23.5 23.0 24.9 61 61 A M G 3 S+ 0 0 85 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.768 125.6 64.2 -48.3 -32.8 20.1 24.7 25.2 62 62 A A G < S+ 0 0 72 -3,-1.5 2,-0.8 4,-0.1 -1,-0.3 0.703 82.1 88.8 -68.2 -20.9 21.2 27.3 22.7 63 63 A N <> - 0 0 14 -3,-2.7 4,-2.6 1,-0.2 5,-0.2 -0.717 66.1-159.8 -83.0 109.3 21.5 24.6 20.0 64 64 A D H > S+ 0 0 83 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.882 89.4 48.6 -55.8 -44.9 18.0 24.4 18.4 65 65 A K H > S+ 0 0 98 -11,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 112.6 47.8 -64.8 -41.2 18.5 21.0 16.9 66 66 A L H > S+ 0 0 0 -12,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.918 113.1 49.0 -65.2 -41.6 19.8 19.6 20.2 67 67 A R H X S+ 0 0 18 -4,-2.6 4,-2.4 -7,-0.3 5,-0.2 0.924 111.1 49.7 -63.7 -44.0 16.9 21.1 22.0 68 68 A G H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.909 114.2 45.1 -60.9 -42.8 14.4 19.7 19.5 69 69 A H H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.934 112.6 51.3 -65.1 -48.2 15.9 16.3 19.8 70 70 A S H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.889 110.4 47.3 -57.6 -46.1 16.0 16.4 23.6 71 71 A I H X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.927 113.4 49.1 -62.4 -45.6 12.4 17.4 24.0 72 72 A T H >X S+ 0 0 44 -4,-1.8 4,-0.9 -5,-0.2 3,-0.9 0.886 103.8 59.9 -61.7 -41.7 11.3 14.7 21.5 73 73 A L H >X S+ 0 0 41 -4,-2.6 4,-1.3 1,-0.3 3,-1.1 0.903 100.8 56.3 -53.7 -43.0 13.4 12.1 23.4 74 74 A M H 3X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.3 -1,-0.3 0.789 100.4 57.3 -62.3 -29.8 11.3 12.8 26.5 75 75 A Y H < S+ 0 0 7 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.924 111.7 49.6 -58.5 -47.7 6.8 3.9 27.5 81 81 A I H >< S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.913 108.3 53.3 -58.9 -44.5 5.5 5.0 31.0 82 82 A D H 3< S+ 0 0 61 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.765 107.7 52.5 -63.3 -25.1 2.0 5.3 29.6 83 83 A Q T X< S+ 0 0 18 -4,-1.3 3,-1.0 -3,-0.6 7,-0.6 0.376 75.6 102.7 -92.6 3.7 2.1 1.8 28.3 84 84 A L T < S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.725 74.9 61.0 -59.5 -22.7 3.2 0.1 31.6 85 85 A D T 3 S+ 0 0 123 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.834 105.9 46.9 -73.7 -33.8 -0.3 -1.2 32.2 86 86 A N X> - 0 0 54 -3,-1.0 4,-2.5 1,-0.1 3,-0.5 -0.898 63.3-165.9-117.0 106.1 -0.4 -3.3 29.1 87 87 A P H 3> S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.849 91.8 55.8 -54.6 -37.2 2.6 -5.5 28.3 88 88 A D H 3> S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.879 110.8 42.9 -65.3 -38.8 1.4 -6.0 24.8 89 89 A D H <> S+ 0 0 9 -3,-0.5 4,-2.0 2,-0.2 5,-0.2 0.892 111.8 54.0 -74.4 -39.2 1.2 -2.3 24.0 90 90 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 -7,-0.6 -2,-0.2 0.932 110.3 48.5 -58.5 -46.1 4.6 -1.6 25.7 91 91 A V H X S+ 0 0 10 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.938 110.6 47.0 -62.5 -49.6 6.2 -4.2 23.6 92 92 A C H X S+ 0 0 8 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.832 114.3 49.8 -63.8 -29.3 4.8 -3.1 20.2 93 93 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.868 111.3 49.0 -74.9 -35.6 5.8 0.5 21.1 94 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 111.9 46.7 -69.8 -45.4 9.3 -0.6 22.1 95 95 A E H X S+ 0 0 67 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.899 111.0 53.2 -63.9 -38.6 9.9 -2.6 18.9 96 96 A K H >X S+ 0 0 53 -4,-1.6 4,-0.6 -5,-0.3 3,-0.6 0.944 111.6 46.2 -58.8 -47.1 8.6 0.3 16.9 97 97 A F H 3X S+ 0 0 46 -4,-2.0 4,-0.8 1,-0.2 3,-0.3 0.839 106.3 59.2 -63.9 -36.7 11.1 2.6 18.6 98 98 A A H 3X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.775 89.8 74.4 -65.4 -28.3 13.9 0.1 18.1 99 99 A V H S+ 0 0 54 -4,-0.8 5,-2.5 2,-0.2 -1,-0.2 0.860 109.6 51.5 -77.7 -33.1 17.9 3.0 16.3 102 102 A I H ><5S+ 0 0 82 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.904 107.0 54.7 -66.1 -40.4 18.7 -0.3 14.6 103 103 A T H 3<5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 106.5 50.7 -62.1 -32.6 18.9 1.6 11.3 104 104 A K T 3<5S- 0 0 101 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.251 118.6-115.2 -89.2 12.8 21.4 3.9 12.9 105 105 A K T < 5 + 0 0 163 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.869 56.9 161.4 55.9 43.6 23.4 0.9 14.0 106 106 A I < - 0 0 22 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.855 25.8-152.2 -95.2 113.3 22.9 1.6 17.7 107 107 A S > - 0 0 52 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.278 27.2-105.7 -81.5 170.5 23.7 -1.6 19.6 108 108 A A H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.876 123.0 50.6 -61.6 -39.1 22.3 -2.7 22.9 109 109 A A H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.876 111.2 48.4 -67.1 -38.1 25.6 -2.0 24.6 110 110 A E H >4 S+ 0 0 39 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.915 111.3 49.4 -67.9 -44.7 25.7 1.5 23.0 111 111 A F H >< S+ 0 0 36 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.878 100.0 67.0 -62.5 -38.2 22.1 2.2 24.1 112 112 A G G >< S+ 0 0 14 -4,-2.0 3,-1.4 1,-0.3 4,-0.3 0.615 79.6 80.2 -59.9 -13.1 22.9 1.1 27.6 113 113 A K G X S+ 0 0 58 -3,-1.4 3,-0.7 -4,-0.3 -1,-0.3 0.655 76.3 73.7 -69.3 -13.8 25.2 4.1 28.0 114 114 A I G <> S+ 0 0 26 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.737 77.8 77.7 -71.7 -20.4 22.2 6.2 28.7 115 115 A N H <> S+ 0 0 48 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.878 89.6 54.3 -55.9 -41.4 21.9 4.5 32.2 116 116 A G H <> S+ 0 0 36 -3,-0.7 4,-2.0 -4,-0.3 -1,-0.2 0.975 110.8 43.5 -57.4 -58.7 24.7 6.7 33.5 117 117 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.861 112.8 53.3 -55.2 -40.9 23.1 10.0 32.5 118 118 A I H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.918 107.6 51.2 -63.6 -42.1 19.7 8.8 33.8 119 119 A K H X S+ 0 0 96 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.915 111.3 47.7 -61.6 -42.8 21.1 8.0 37.2 120 120 A K H 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B A H X S+ 0 0 31 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.889 107.5 49.4 -60.8 -38.2 -8.8 5.3 13.9 182 36 B L H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.946 113.6 43.8 -65.4 -50.5 -6.6 7.9 12.1 183 37 B M H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.894 115.0 47.3 -64.1 -42.9 -4.4 5.4 10.4 184 38 B T H X S+ 0 0 49 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.849 112.8 50.4 -68.8 -32.0 -7.2 3.0 9.3 185 39 B T H X S+ 0 0 30 -4,-1.6 4,-2.6 -5,-0.3 5,-0.3 0.878 109.3 51.7 -71.8 -37.1 -9.2 6.0 8.0 186 40 B L H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 7,-0.2 0.947 111.2 46.5 -62.9 -49.0 -6.2 7.3 6.1 187 41 B F H < S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.9 50.2 -62.9 -32.5 -5.7 3.9 4.4 188 42 B A H < S+ 0 0 76 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.925 118.0 35.0 -72.9 -47.3 -9.4 3.7 3.6 189 43 B D H < S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 2,-0.2 0.756 132.8 29.0 -80.8 -25.8 -9.8 7.1 2.0 190 44 B N >< + 0 0 39 -4,-2.5 3,-2.1 -5,-0.3 4,-0.3 -0.615 65.8 174.5-135.2 74.1 -6.4 7.1 0.4 191 45 B Q G > S+ 0 0 151 -3,-0.4 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72.6-141.3 2.4 -5.8 7.2 202 56 B D > + 0 0 89 1,-0.2 3,-1.9 -2,-0.1 4,-0.2 -0.456 63.6 176.5 -70.9 82.8 -1.3 -6.7 6.9 203 57 B V G > + 0 0 21 -2,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.631 68.6 78.7 -63.8 -13.1 -2.7 -3.2 7.8 204 58 B S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.689 79.9 69.4 -69.8 -16.4 -6.2 -4.6 7.2 205 59 B Q G X S- 0 0 111 -3,-1.9 3,-1.5 1,-0.2 -1,-0.3 0.634 83.3-176.7 -74.7 -13.4 -6.0 -6.3 10.6 206 60 B G G X + 0 0 10 -3,-1.5 3,-2.2 1,-0.3 7,-0.3 -0.263 63.4 9.4 57.4-131.9 -6.2 -2.8 12.2 207 61 B M G 3 S+ 0 0 78 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.788 126.0 62.4 -48.6 -36.9 -5.9 -2.7 16.0 208 62 B A G < S+ 0 0 72 -3,-1.5 2,-0.8 4,-0.1 -1,-0.3 0.680 81.8 92.6 -67.5 -18.7 -5.0 -6.4 16.1 209 63 B N <> - 0 0 11 -3,-2.2 4,-3.3 1,-0.2 5,-0.2 -0.703 66.1-157.7 -81.5 110.0 -1.8 -5.7 14.1 210 64 B D H > S+ 0 0 90 -2,-0.8 4,-3.1 1,-0.2 -1,-0.2 0.871 90.5 48.6 -55.4 -44.5 0.9 -5.1 16.6 211 65 B K H > S+ 0 0 95 -11,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 115.1 44.7 -64.5 -43.1 3.2 -3.1 14.2 212 66 B L H > S+ 0 0 0 -12,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.938 115.3 48.0 -65.3 -46.1 0.3 -0.9 13.2 213 67 B R H X S+ 0 0 19 -4,-3.3 4,-2.4 -7,-0.3 5,-0.2 0.926 111.9 50.5 -60.4 -44.0 -0.9 -0.5 16.7 214 68 B G H X S+ 0 0 0 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.902 113.4 45.0 -60.3 -43.1 2.7 0.3 17.8 215 69 B H H X S+ 0 0 29 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.926 112.1 52.0 -65.7 -46.9 3.0 2.9 15.0 216 70 B S H X S+ 0 0 0 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.879 109.5 48.1 -59.2 -43.6 -0.4 4.5 15.8 217 71 B I H X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.946 112.6 49.2 -62.9 -47.7 0.2 4.9 19.5 218 72 B T H >X S+ 0 0 45 -4,-1.7 3,-0.8 -5,-0.2 4,-0.7 0.848 103.6 60.8 -60.9 -35.7 3.6 6.5 18.8 219 73 B L H >X S+ 0 0 43 -4,-2.2 3,-1.4 1,-0.2 4,-1.2 0.920 99.4 56.8 -57.9 -44.2 2.1 8.9 16.2 220 74 B M H 3X S+ 0 0 0 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.741 99.3 59.2 -60.5 -26.3 -0.1 10.4 18.9 221 75 B Y H < S+ 0 0 6 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.920 111.6 50.5 -58.1 -48.2 3.3 19.7 19.3 227 81 B I H >< S+ 0 0 6 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.887 108.9 52.3 -59.0 -40.9 0.3 20.6 21.4 228 82 B D H 3< S+ 0 0 75 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.774 108.4 51.3 -67.7 -26.4 2.5 21.0 24.5 229 83 B Q T X< S+ 0 0 22 -4,-1.3 3,-1.7 -3,-0.5 7,-0.5 0.360 76.3 107.9 -93.4 6.7 4.9 23.4 22.6 230 84 B L T < S+ 0 0 3 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.783 74.8 53.1 -55.1 -33.9 2.1 25.7 21.4 231 85 B D T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.479 105.3 56.6 -84.9 -1.0 2.9 28.7 23.7 232 86 B N X> - 0 0 58 -3,-1.7 4,-2.6 1,-0.1 3,-1.0 -0.776 63.0-170.0-132.3 89.9 6.6 28.8 22.7 233 87 B P H 3> S+ 0 0 65 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.798 87.6 57.1 -45.5 -37.7 7.1 29.3 19.0 234 88 B D H 3> S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.907 111.6 40.6 -64.9 -42.1 10.8 28.7 19.3 235 89 B D H <> S+ 0 0 8 -3,-1.0 4,-2.0 2,-0.2 5,-0.2 0.896 113.9 53.4 -73.5 -39.3 10.3 25.3 20.9 236 90 B L H X S+ 0 0 3 -4,-2.6 4,-2.6 -7,-0.5 -2,-0.2 0.953 110.3 48.1 -58.7 -50.2 7.5 24.4 18.5 237 91 B V H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.921 110.9 48.2 -58.2 -48.8 9.6 25.2 15.5 238 92 B C H X S+ 0 0 5 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.850 114.2 48.0 -64.8 -30.6 12.6 23.2 16.6 239 93 B V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.883 111.1 50.2 -75.4 -37.8 10.4 20.2 17.4 240 94 B V H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.909 111.7 47.9 -66.2 -41.2 8.6 20.4 14.1 241 95 B E H X S+ 0 0 94 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.848 109.8 52.4 -68.2 -34.1 11.9 20.5 12.2 242 96 B K H X S+ 0 0 51 -4,-1.4 4,-0.6 -5,-0.2 3,-0.5 0.927 111.6 48.3 -64.8 -43.4 13.2 17.6 14.2 243 97 B F H X S+ 0 0 45 -4,-2.1 4,-0.9 1,-0.2 3,-0.3 0.841 105.7 57.0 -64.7 -37.3 10.1 15.7 13.2 244 98 B A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.760 90.3 76.2 -68.9 -24.6 10.3 16.6 9.5 245 99 B V H X S+ 0 0 36 -4,-1.0 4,-2.2 -3,-0.5 -1,-0.2 0.927 98.3 40.5 -52.7 -54.2 13.8 15.0 9.2 246 100 B N H X S+ 0 0 51 -4,-0.6 4,-0.5 -3,-0.3 -1,-0.2 0.841 116.1 50.5 -67.8 -32.7 12.6 11.4 9.2 247 101 B H H <>S+ 0 0 47 -4,-0.9 5,-2.2 2,-0.2 3,-0.2 0.851 109.6 51.1 -73.4 -31.8 9.7 12.1 7.0 248 102 B I H ><5S+ 0 0 81 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.919 108.1 52.0 -68.5 -42.8 11.9 14.0 4.5 249 103 B T H 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.664 106.8 54.8 -67.6 -14.9 14.2 11.0 4.4 250 104 B K T 3<5S- 0 0 96 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.304 116.1-119.6 -97.7 7.0 11.2 8.9 3.7 251 105 B K T < 5 + 0 0 176 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.861 56.4 157.0 58.2 41.9 10.4 11.2 0.7 252 106 B I < - 0 0 27 -5,-2.2 -1,-0.2 4,-0.0 -2,-0.1 -0.880 28.7-151.2-100.3 111.3 7.0 12.3 2.0 253 107 B S > - 0 0 56 -2,-0.7 4,-2.1 39,-0.1 5,-0.1 -0.127 26.9-105.3 -73.6 174.7 6.1 15.6 0.4 254 108 B A H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 35,-0.1 0.864 121.7 51.6 -69.4 -37.0 3.9 18.3 1.9 255 109 B A H 4 S+ 0 0 80 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.879 110.9 47.7 -67.4 -38.4 1.1 17.4 -0.4 256 110 B E H >4 S+ 0 0 39 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.917 111.8 50.1 -67.6 -43.3 1.3 13.7 0.6 257 111 B F H >< S+ 0 0 36 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.838 99.1 67.5 -63.9 -34.1 1.4 14.7 4.3 258 112 B G G >< S+ 0 0 14 -4,-1.9 3,-1.9 1,-0.3 4,-0.3 0.677 78.4 81.4 -61.5 -18.0 -1.6 16.9 3.8 259 113 B K G < S+ 0 0 52 -3,-1.3 3,-0.5 -4,-0.4 -1,-0.3 0.636 76.5 73.1 -63.5 -12.9 -3.7 13.8 3.1 260 114 B I G <> S+ 0 0 29 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.693 78.0 78.3 -75.3 -17.2 -3.9 13.3 6.9 261 115 B N H <> S+ 0 0 49 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.881 89.5 52.4 -58.9 -42.9 -6.3 16.3 7.1 262 116 B G H > S+ 0 0 38 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.2 0.956 110.7 46.1 -60.3 -52.3 -9.3 14.2 6.0 263 117 B P H > S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.905 112.3 52.2 -57.2 -41.7 -8.8 11.5 8.6 264 118 B I H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.925 108.2 50.4 -61.0 -44.9 -8.3 14.1 11.3 265 119 B K H X S+ 0 0 107 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.894 113.2 46.7 -60.4 -40.6 -11.6 15.8 10.4 266 120 B K H X S+ 0 0 112 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.913 111.8 49.0 -68.5 -44.7 -13.4 12.5 10.5 267 121 B V H X S+ 0 0 8 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.906 112.4 49.6 -61.9 -41.0 -11.9 11.5 13.8 268 122 B L H ><>S+ 0 0 4 -4,-2.6 5,-2.5 -5,-0.2 3,-1.1 0.910 109.1 52.1 -63.4 -42.8 -12.8 14.9 15.3 269 123 B A H ><5S+ 0 0 56 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.818 100.1 61.7 -64.7 -31.8 -16.3 14.6 14.0 270 124 B S H 3<5S+ 0 0 75 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 108.6 44.3 -67.8 -17.7 -16.8 11.2 15.6 271 125 B K T <<5S- 0 0 78 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.323 126.8-105.1-104.6 4.2 -16.2 13.0 18.9 272 126 B N T < 5S+ 0 0 151 -3,-1.4 2,-0.7 1,-0.2 -3,-0.3 0.778 72.5 141.8 76.6 32.8 -18.5 15.8 17.9 273 127 B F < - 0 0 31 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.2 -0.922 38.5-151.1-105.4 112.4 -15.9 18.4 17.1 274 128 B G >> - 0 0 43 -2,-0.7 4,-1.6 -3,-0.1 3,-1.0 0.201 36.0 -67.4 -72.7-168.4 -17.0 20.4 14.0 275 129 B D H 3> S+ 0 0 99 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.798 124.3 66.9 -50.8 -37.4 -15.4 22.2 11.1 276 130 B K H 3> S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.918 107.5 39.4 -52.5 -46.9 -14.1 24.9 13.5 277 131 B Y H <> S+ 0 0 49 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.843 111.9 56.6 -73.2 -35.2 -11.8 22.4 15.1 278 132 B A H X S+ 0 0 13 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.895 107.4 49.7 -63.7 -39.2 -10.9 20.7 11.8 279 133 B N H X S+ 0 0 98 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.898 107.5 53.9 -66.0 -41.0 -9.7 24.0 10.5 280 134 B A H X S+ 0 0 4 -4,-1.5 4,-1.1 -5,-0.2 3,-0.4 0.936 110.9 46.3 -58.2 -47.0 -7.6 24.6 13.5 281 135 B W H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.829 104.7 59.9 -66.2 -33.0 -5.9 21.3 13.0 282 136 B A H X S+ 0 0 34 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.855 103.5 54.1 -63.0 -32.2 -5.4 21.9 9.3 283 137 B K H X S+ 0 0 76 -4,-1.5 4,-0.9 -3,-0.4 -1,-0.2 0.834 107.2 48.6 -70.9 -33.3 -3.3 24.9 10.4 284 138 B L H >X S+ 0 0 3 -4,-1.1 4,-1.2 2,-0.2 3,-0.7 0.914 110.8 50.7 -71.6 -42.3 -1.1 22.8 12.7 285 139 B V H 3X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.866 104.3 60.1 -61.0 -35.2 -0.6 20.3 9.9 286 140 B A H 3X S+ 0 0 38 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.813 97.7 58.1 -63.2 -30.8 0.4 23.3 7.7 287 141 B V H X S+ 0 0 3 -4,-1.2 3,-1.6 1,-0.2 4,-0.7 0.917 109.1 56.1 -68.2 -44.8 4.6 20.7 9.4 289 143 B Q H >< S+ 0 0 50 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.859 100.0 61.5 -55.6 -35.6 4.0 20.9 5.7 290 144 B A H 3< S+ 0 0 31 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.772 103.9 49.4 -62.7 -25.9 6.1 24.1 5.7 291 145 B A H << 0 0 20 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.577 360.0 360.0 -90.2 -10.9 9.1 22.0 7.0 292 146 B L << 0 0 65 -3,-1.0 -39,-0.1 -4,-0.7 -47,-0.1 -0.340 360.0 360.0 -88.6 360.0 8.7 19.3 4.3