==== 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 3UHR . 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) . 13744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 86.6 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 . 67 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 58.3 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 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 2 A S > 0 0 87 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 162.0 13.8 -11.5 24.1 2 3 A V H > + 0 0 10 141,-0.4 4,-2.2 1,-0.2 5,-0.1 0.834 360.0 55.9 -61.8 -32.6 11.7 -8.4 24.5 3 4 A Y H > S+ 0 0 143 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.855 109.7 45.6 -69.1 -34.0 8.8 -10.4 25.8 4 5 A D H 4 S+ 0 0 106 -3,-0.4 4,-0.3 2,-0.2 -2,-0.2 0.854 113.4 49.5 -75.7 -35.8 10.9 -11.9 28.5 5 6 A A H >< S+ 0 0 17 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.856 105.1 57.5 -71.0 -36.1 12.4 -8.5 29.4 6 7 A A H >< S+ 0 0 13 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.814 99.4 60.2 -64.3 -29.7 9.0 -6.8 29.6 7 8 A A T 3< S+ 0 0 71 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.627 89.4 72.3 -73.0 -12.9 8.0 -9.4 32.2 8 9 A Q T < S+ 0 0 108 -3,-1.3 2,-1.9 -4,-0.3 -1,-0.3 0.604 70.3 97.1 -77.1 -11.6 10.9 -8.1 34.4 9 10 A L < - 0 0 15 -3,-1.3 -1,-0.1 -4,-0.2 -3,-0.0 -0.575 65.0-173.9 -80.9 82.2 8.8 -4.9 35.0 10 11 A T > - 0 0 72 -2,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.111 39.2 -91.0 -71.0 172.7 7.4 -6.0 38.4 11 12 A A H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.906 125.6 42.8 -52.1 -52.6 4.8 -4.1 40.4 12 13 A D H > S+ 0 0 121 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.832 111.3 55.5 -67.7 -32.1 7.2 -2.1 42.4 13 14 A V H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 109.6 46.4 -65.0 -45.0 9.4 -1.3 39.4 14 15 A K H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.887 112.3 52.0 -63.6 -38.0 6.5 0.1 37.6 15 16 A K H X S+ 0 0 108 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.923 110.0 47.1 -65.3 -44.2 5.5 2.1 40.7 16 17 A D H X S+ 0 0 18 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.840 110.1 54.1 -67.3 -31.8 9.0 3.6 41.1 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.933 111.4 45.0 -65.9 -45.6 9.1 4.5 37.4 18 19 A R H X S+ 0 0 78 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 112.4 49.9 -64.1 -48.0 5.8 6.4 37.7 19 20 A D H X S+ 0 0 55 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.881 116.2 42.0 -59.9 -40.5 6.8 8.2 40.9 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 3,-0.8 0.879 112.3 53.6 -75.0 -38.2 10.1 9.4 39.5 21 22 A W H 3X S+ 0 0 16 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.825 96.0 68.5 -65.5 -30.3 8.7 10.2 36.1 22 23 A K H 3< S+ 0 0 161 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.869 113.9 29.8 -56.2 -35.6 6.1 12.4 37.8 23 24 A V H X< S+ 0 0 68 -3,-0.8 3,-1.4 -4,-0.6 4,-0.4 0.917 123.6 46.0 -88.4 -53.2 9.0 14.7 38.7 24 25 A I H >< S+ 0 0 1 -4,-2.8 3,-1.0 1,-0.3 7,-0.2 0.873 111.6 52.4 -58.7 -41.0 11.3 14.1 35.8 25 26 A G G >< S+ 0 0 7 -4,-3.2 3,-0.5 1,-0.2 -1,-0.3 0.550 90.1 81.0 -74.4 -6.0 8.6 14.4 33.2 26 27 A S G < S+ 0 0 96 -3,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.793 102.8 31.7 -68.7 -30.0 7.6 17.8 34.7 27 28 A D G <> + 0 0 79 -3,-1.0 4,-2.6 -4,-0.4 5,-0.4 -0.698 68.9 166.5-130.7 78.7 10.4 19.5 32.8 28 29 A K H <> S+ 0 0 37 -3,-0.5 4,-1.7 -2,-0.3 5,-0.2 0.859 77.8 48.4 -61.9 -39.2 10.9 17.7 29.5 29 30 A K H > S+ 0 0 65 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.955 116.6 40.9 -68.2 -50.1 13.0 20.4 28.0 30 31 A G H > S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.936 122.6 38.2 -64.5 -48.8 15.3 20.9 30.9 31 32 A N H X S+ 0 0 11 -4,-2.6 4,-2.2 -7,-0.2 -1,-0.2 0.823 114.2 55.9 -73.7 -31.4 15.8 17.2 31.9 32 33 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.4 -2,-0.2 0.942 110.9 43.5 -65.2 -46.7 15.9 16.1 28.2 33 34 A V H X S+ 0 0 11 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.855 111.5 55.5 -66.1 -34.9 18.7 18.4 27.5 34 35 A A H X S+ 0 0 27 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.900 105.4 52.5 -64.4 -41.0 20.4 17.4 30.7 35 36 A F H X S+ 0 0 7 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.942 114.1 42.5 -58.1 -50.3 20.3 13.7 29.7 36 37 A M H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.909 112.9 49.3 -65.5 -48.0 21.9 14.5 26.3 37 38 A T H X S+ 0 0 50 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.866 112.7 50.0 -62.3 -34.4 24.6 16.9 27.5 38 39 A T H X S+ 0 0 30 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.884 109.3 51.4 -70.3 -38.5 25.6 14.4 30.2 39 40 A L H X S+ 0 0 14 -4,-1.8 4,-2.3 1,-0.2 7,-0.2 0.927 111.4 46.9 -63.3 -45.4 25.8 11.6 27.7 40 41 A F H < S+ 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.777 114.7 47.9 -68.6 -26.6 28.1 13.6 25.4 41 42 A A H < S+ 0 0 61 -4,-1.4 3,-0.5 -5,-0.2 -2,-0.2 0.903 119.3 36.2 -80.4 -44.1 30.2 14.6 28.4 42 43 A D H < S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.740 132.5 28.9 -81.0 -24.2 30.6 11.1 29.9 43 44 A N >< + 0 0 35 -4,-2.3 3,-2.5 -5,-0.3 4,-0.3 -0.517 63.5 169.8-137.3 68.7 30.7 9.3 26.5 44 45 A Q G > S+ 0 0 120 -3,-0.5 3,-1.3 1,-0.3 4,-0.3 0.708 72.9 73.7 -50.7 -24.2 32.2 11.7 23.9 45 46 A E G > S+ 0 0 103 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.720 86.6 61.8 -66.5 -21.0 32.4 8.7 21.5 46 47 A T G X S+ 0 0 6 -3,-2.5 3,-1.5 -7,-0.2 4,-0.4 0.632 79.8 84.7 -79.8 -14.1 28.6 8.8 21.0 47 48 A I G X S+ 0 0 49 -3,-1.3 3,-1.6 -4,-0.3 -1,-0.2 0.809 76.3 71.0 -57.3 -30.0 28.8 12.3 19.6 48 49 A G G X S+ 0 0 37 -3,-0.7 3,-0.9 -4,-0.3 -1,-0.3 0.810 90.8 57.7 -57.7 -32.1 29.6 10.8 16.2 49 50 A Y G < S+ 0 0 109 -3,-1.5 -1,-0.3 1,-0.2 3,-0.2 0.676 105.3 52.9 -72.7 -16.7 26.0 9.4 15.9 50 51 A F G X + 0 0 43 -3,-1.6 3,-1.6 -4,-0.4 4,-0.5 -0.058 62.2 130.4-111.4 32.8 24.7 13.0 16.2 51 52 A K G X + 0 0 171 -3,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.837 69.7 63.3 -52.7 -36.9 26.6 14.8 13.5 52 53 A R G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.801 92.7 64.1 -60.0 -30.6 23.4 16.3 12.2 53 54 A L G < S- 0 0 7 -3,-1.6 12,-0.3 1,-0.2 -1,-0.3 0.685 92.5-156.0 -69.2 -19.3 22.9 18.2 15.5 54 55 A G < + 0 0 47 -3,-1.4 2,-1.4 -4,-0.5 -1,-0.2 -0.548 61.1 17.1 82.7-144.4 26.0 20.3 15.0 55 56 A D > - 0 0 86 -2,-0.2 3,-1.3 1,-0.2 4,-0.1 -0.520 64.8-177.9 -70.4 94.5 27.9 21.9 17.9 56 57 A V G > S+ 0 0 17 -2,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.674 71.3 74.4 -67.9 -18.4 26.4 19.9 20.7 57 58 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.638 79.9 73.0 -72.7 -13.0 28.4 21.8 23.3 58 59 A Q G X S- 0 0 106 -3,-1.3 3,-1.6 1,-0.2 -1,-0.3 0.647 79.6-178.5 -74.7 -15.4 26.0 24.8 22.9 59 60 A G G X + 0 0 10 -3,-1.4 3,-2.1 1,-0.3 7,-0.3 -0.269 63.4 11.6 57.5-128.5 23.4 22.8 24.8 60 61 A M G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.767 125.1 62.0 -52.0 -32.9 20.0 24.6 25.1 61 62 A A G < S+ 0 0 77 -3,-1.6 2,-0.9 4,-0.1 -1,-0.3 0.677 82.6 89.9 -71.0 -18.5 21.0 27.3 22.6 62 63 A N <> - 0 0 22 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 -0.728 66.6-159.4 -83.1 107.5 21.4 24.6 19.9 63 64 A D H > S+ 0 0 83 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.862 89.3 49.5 -54.8 -42.4 17.9 24.5 18.3 64 65 A K H > S+ 0 0 98 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 112.6 47.1 -66.6 -40.3 18.4 21.0 16.8 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.895 112.9 49.6 -68.0 -39.5 19.7 19.6 20.1 66 67 A R H X S+ 0 0 16 -4,-2.6 4,-2.3 -7,-0.3 5,-0.2 0.906 110.7 50.6 -66.0 -40.3 16.8 21.1 22.0 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.917 113.5 44.5 -63.3 -43.6 14.4 19.7 19.4 68 69 A H H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.910 112.6 52.1 -66.2 -43.8 15.9 16.2 19.7 69 70 A S H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.895 110.8 46.0 -61.3 -44.1 16.0 16.4 23.6 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.944 113.8 49.7 -64.3 -46.7 12.4 17.4 23.9 71 72 A T H >X S+ 0 0 42 -4,-1.9 3,-1.1 -5,-0.2 4,-0.6 0.875 103.4 60.0 -59.7 -40.5 11.3 14.7 21.5 72 73 A L H >X S+ 0 0 43 -4,-2.5 4,-1.3 1,-0.3 3,-1.2 0.885 99.6 57.8 -55.9 -39.6 13.3 12.1 23.3 73 74 A M H 3X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.3 0.761 98.6 59.0 -64.7 -25.8 11.2 12.7 26.4 74 75 A Y H < S+ 0 0 7 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.908 111.6 50.0 -54.7 -46.9 6.8 3.9 27.5 80 81 A I H >< S+ 0 0 5 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.895 107.9 54.0 -60.4 -41.0 5.5 5.0 30.9 81 82 A D H 3< S+ 0 0 62 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.699 107.0 52.3 -67.8 -19.3 1.9 5.3 29.6 82 83 A Q T X< S+ 0 0 19 -4,-1.1 3,-1.3 -3,-0.8 7,-0.5 0.417 75.1 103.0 -97.4 1.5 2.0 1.7 28.3 83 84 A L T < S+ 0 0 5 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.772 74.9 61.1 -55.3 -28.1 3.2 0.1 31.6 84 85 A D T 3 S+ 0 0 123 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.813 106.4 46.6 -69.5 -31.1 -0.4 -1.2 32.3 85 86 A N X> - 0 0 55 -3,-1.3 4,-2.5 1,-0.1 3,-0.6 -0.890 62.6-167.2-120.4 103.8 -0.5 -3.3 29.1 86 87 A P H 3> S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.840 91.1 57.3 -53.8 -37.0 2.6 -5.5 28.3 87 88 A D H 3> S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.893 110.9 41.7 -63.6 -40.3 1.2 -6.1 24.8 88 89 A D H <> S+ 0 0 8 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.879 111.7 54.8 -75.0 -38.1 1.2 -2.4 24.1 89 90 A L H X S+ 0 0 5 -4,-2.5 4,-2.2 -7,-0.5 -2,-0.2 0.939 109.9 48.2 -59.0 -47.1 4.5 -1.7 25.7 90 91 A V H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.939 111.2 47.3 -60.4 -50.4 6.2 -4.4 23.6 91 92 A C H X S+ 0 0 8 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.829 114.2 49.1 -64.1 -28.6 4.7 -3.2 20.3 92 93 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.850 111.2 49.5 -76.8 -34.3 5.7 0.4 21.1 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.900 111.2 48.2 -70.6 -41.4 9.2 -0.6 22.1 94 95 A E H X S+ 0 0 65 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.866 111.4 51.2 -66.6 -35.9 9.7 -2.6 18.9 95 96 A K H X S+ 0 0 47 -4,-1.4 4,-0.5 -5,-0.3 3,-0.4 0.921 110.2 49.3 -64.9 -43.7 8.4 0.4 16.9 96 97 A F H X S+ 0 0 46 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.839 106.7 57.3 -63.4 -35.4 10.9 2.6 18.7 97 98 A A H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 3,-0.3 0.785 85.5 80.8 -68.9 -30.5 13.7 0.2 18.0 98 99 A V H X S+ 0 0 34 -4,-1.2 4,-1.9 -3,-0.4 -1,-0.2 0.892 97.3 39.0 -43.4 -58.5 13.3 0.3 14.2 99 100 A N H X S+ 0 0 53 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.805 115.5 52.7 -67.2 -30.5 15.2 3.6 13.6 100 101 A H H <>S+ 0 0 44 -4,-0.7 5,-2.7 -3,-0.3 -1,-0.2 0.846 108.6 50.6 -74.1 -31.8 17.8 2.9 16.2 101 102 A I H ><5S+ 0 0 82 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.898 107.7 53.8 -69.4 -39.4 18.6 -0.5 14.6 102 103 A T H 3<5S+ 0 0 108 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.828 106.6 51.8 -62.9 -32.4 18.9 1.2 11.2 103 104 A R T 3<5S- 0 0 107 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.414 117.1-118.6 -83.9 1.1 21.5 3.6 12.7 104 105 A K T < 5 + 0 0 160 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.837 53.2 164.8 64.5 36.3 23.3 0.5 14.0 105 106 A I < - 0 0 19 -5,-2.7 -1,-0.2 4,-0.1 -2,-0.1 -0.772 25.6-148.3 -85.9 115.0 22.9 1.4 17.6 106 107 A S > - 0 0 51 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.266 24.6-108.2 -79.1 169.3 23.7 -1.8 19.6 107 108 A A H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.882 123.0 50.9 -63.7 -38.0 22.2 -2.8 22.9 108 109 A A H 4 S+ 0 0 80 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.903 110.6 48.6 -65.7 -41.6 25.6 -2.0 24.6 109 110 A E H >4 S+ 0 0 39 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.922 110.6 50.0 -64.0 -47.0 25.6 1.4 22.9 110 111 A F H >< S+ 0 0 37 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.858 99.7 67.1 -60.8 -36.8 22.1 2.2 24.0 111 112 A G G >< S+ 0 0 13 -4,-1.8 3,-1.6 1,-0.3 4,-0.4 0.607 78.4 81.3 -61.7 -12.1 22.9 1.2 27.6 112 113 A K G < S+ 0 0 55 -3,-1.6 3,-0.4 -4,-0.3 -1,-0.3 0.605 77.8 71.4 -70.3 -9.3 25.3 4.2 27.9 113 114 A I G <> S+ 0 0 28 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.656 79.5 77.3 -79.2 -15.6 22.2 6.3 28.6 114 115 A N H <> S+ 0 0 47 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.885 90.0 53.4 -60.9 -41.6 21.9 4.6 32.0 115 116 A G H > S+ 0 0 33 -3,-0.4 4,-2.2 -4,-0.4 -1,-0.2 0.977 110.1 45.3 -58.4 -58.4 24.7 6.7 33.4 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 112.8 52.1 -53.3 -40.5 23.2 10.1 32.5 117 118 A I H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.915 108.9 49.4 -64.9 -43.4 19.8 8.9 33.7 118 119 A K H X S+ 0 0 99 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V H X S+ 0 0 10 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.881 110.5 57.7 -67.2 -37.0 -5.6 3.6 15.0 180 35 B A H X S+ 0 0 26 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.903 105.5 50.3 -59.1 -42.8 -8.7 5.4 13.9 181 36 B F H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.952 114.5 43.4 -59.3 -52.7 -6.5 8.0 12.1 182 37 B M H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.907 113.4 47.7 -63.1 -48.0 -4.4 5.4 10.3 183 38 B T H X S+ 0 0 52 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.821 113.4 50.1 -66.0 -28.8 -7.2 3.0 9.2 184 39 B T H X S+ 0 0 31 -4,-1.6 4,-2.5 -5,-0.3 5,-0.3 0.876 109.4 51.7 -74.7 -37.5 -9.2 6.0 7.9 185 40 B L H X S+ 0 0 14 -4,-2.0 4,-2.6 1,-0.2 7,-0.2 0.949 111.3 46.7 -61.9 -49.1 -6.2 7.2 6.0 186 41 B F H < S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.9 48.7 -63.7 -32.0 -5.7 3.8 4.4 187 42 B A H < S+ 0 0 79 -4,-1.4 3,-0.4 -5,-0.2 -1,-0.2 0.890 118.7 36.5 -76.5 -40.4 -9.4 3.6 3.5 188 43 B D H < S+ 0 0 73 -4,-2.5 2,-0.2 1,-0.2 -2,-0.2 0.769 132.1 27.8 -84.0 -27.6 -9.7 7.0 1.9 189 44 B N >< + 0 0 40 -4,-2.6 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91.7-157.5 -71.9 -14.1 3.7 -2.8 9.0 200 55 B G < + 0 0 49 -3,-1.7 2,-1.8 -4,-0.4 -1,-0.2 -0.522 61.6 18.9 78.4-137.5 2.5 -5.9 7.1 201 56 B D > + 0 0 84 -2,-0.2 3,-1.8 1,-0.2 4,-0.2 -0.509 63.3 175.3 -75.5 84.7 -1.2 -6.7 6.9 202 57 B V G > + 0 0 21 -2,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.608 68.9 77.6 -65.7 -12.6 -2.7 -3.3 7.7 203 58 B S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.696 80.6 71.0 -70.9 -16.4 -6.2 -4.7 7.1 204 59 B Q G X S- 0 0 108 -3,-1.8 3,-1.3 1,-0.2 -1,-0.3 0.660 83.1-176.1 -72.3 -17.0 -6.0 -6.3 10.5 205 60 B G G X + 0 0 11 -3,-1.3 3,-2.0 1,-0.3 7,-0.3 -0.304 62.2 7.2 61.8-131.1 -6.3 -2.9 12.1 206 61 B M G 3 S+ 0 0 80 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.827 126.8 62.6 -53.2 -37.1 -6.0 -2.7 15.9 207 62 B A G < S+ 0 0 75 -3,-1.3 2,-0.9 4,-0.1 -1,-0.3 0.632 80.5 93.5 -67.6 -15.0 -5.0 -6.4 16.1 208 63 B N <> - 0 0 10 -3,-2.0 4,-3.0 1,-0.2 5,-0.2 -0.731 66.6-156.8 -82.8 109.4 -1.9 -5.8 14.0 209 64 B D H > S+ 0 0 93 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.872 90.5 49.1 -54.8 -42.7 0.8 -5.2 16.6 210 65 B K H > S+ 0 0 89 -11,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 114.4 44.9 -65.6 -42.4 3.1 -3.2 14.3 211 66 B L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.909 113.6 50.3 -67.6 -41.3 0.3 -1.0 13.2 212 67 B R H X S+ 0 0 18 -4,-3.0 4,-2.4 -7,-0.3 5,-0.2 0.924 110.6 50.5 -62.7 -42.6 -0.9 -0.5 16.7 213 68 B G H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.900 112.8 45.2 -61.5 -42.9 2.6 0.3 17.8 214 69 B H H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 112.4 52.1 -66.0 -45.0 3.0 2.9 15.0 215 70 B S H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.886 110.6 46.0 -59.7 -44.8 -0.5 4.4 15.8 216 71 B I H X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 3,-0.4 0.931 113.8 49.8 -64.4 -44.9 0.1 4.9 19.5 217 72 B T H >X S+ 0 0 43 -4,-1.8 3,-1.0 -5,-0.2 4,-0.6 0.848 102.7 60.9 -62.4 -36.9 3.6 6.4 18.8 218 73 B L H >X S+ 0 0 44 -4,-2.3 3,-1.3 1,-0.2 4,-1.1 0.888 98.6 58.6 -58.0 -40.0 2.1 8.8 16.2 219 74 B M H 3X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.2 0.723 96.8 60.6 -64.4 -23.8 -0.1 10.3 18.9 220 75 B Y H < S+ 0 0 6 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.924 111.8 50.1 -56.6 -49.2 3.2 19.6 19.3 226 81 B I H >< S+ 0 0 9 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.872 107.9 53.9 -59.2 -39.4 0.3 20.5 21.5 227 82 B D H 3< S+ 0 0 75 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.745 108.5 49.4 -69.0 -23.3 2.5 21.0 24.5 228 83 B Q T X< S+ 0 0 24 -4,-1.2 3,-1.9 -3,-0.7 7,-0.5 0.331 76.1 109.3 -98.2 8.0 4.8 23.5 22.7 229 84 B L T < S+ 0 0 5 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.764 74.9 53.8 -55.5 -30.4 2.0 25.7 21.4 230 85 B D T 3 S+ 0 0 114 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.477 105.2 56.4 -86.8 -0.8 2.8 28.6 23.7 231 86 B N X> - 0 0 58 -3,-1.9 4,-2.5 1,-0.1 3,-1.0 -0.807 62.4-169.7-133.7 93.5 6.4 28.8 22.7 232 87 B P H 3> S+ 0 0 70 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.821 87.6 57.4 -48.2 -39.9 7.0 29.3 18.9 233 88 B D H 3> S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.878 112.0 40.7 -63.5 -37.6 10.8 28.7 19.3 234 89 B D H <> S+ 0 0 9 -3,-1.0 4,-2.0 2,-0.2 5,-0.2 0.873 113.5 53.2 -78.1 -37.9 10.2 25.3 20.8 235 90 B L H X S+ 0 0 3 -4,-2.5 4,-2.2 -7,-0.5 -2,-0.2 0.946 110.7 48.5 -60.5 -47.6 7.3 24.4 18.5 236 91 B V H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.924 110.9 47.9 -59.9 -48.0 9.5 25.2 15.5 237 92 B C H X S+ 0 0 5 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.854 114.4 47.4 -65.5 -31.4 12.5 23.1 16.7 238 93 B V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.846 111.4 50.9 -76.3 -33.6 10.3 20.1 17.5 239 94 B V H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.901 111.7 46.7 -69.6 -41.0 8.5 20.4 14.1 240 95 B E H X S+ 0 0 90 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.864 111.1 52.5 -68.9 -34.7 11.8 20.5 12.2 241 96 B K H X S+ 0 0 45 -4,-1.5 4,-0.5 -5,-0.2 3,-0.3 0.918 110.5 48.9 -63.9 -43.6 13.1 17.5 14.2 242 97 B F H X S+ 0 0 47 -4,-2.0 4,-0.8 1,-0.2 3,-0.4 0.855 106.0 57.3 -63.7 -38.3 9.9 15.6 13.3 243 98 B A H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.793 86.3 80.8 -66.3 -30.8 10.3 16.4 9.6 244 99 B V H X S+ 0 0 36 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.892 97.2 38.5 -43.4 -58.9 13.8 14.9 9.3 245 100 B N H X S+ 0 0 51 -4,-0.5 4,-1.4 -3,-0.4 -1,-0.2 0.842 115.9 52.8 -66.3 -33.0 12.6 11.3 9.0 246 101 B H H <>S+ 0 0 41 -4,-0.8 5,-2.2 2,-0.2 -1,-0.2 0.815 108.2 51.0 -72.4 -28.7 9.6 12.1 6.9 247 102 B I H ><5S+ 0 0 84 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.903 107.9 52.8 -71.6 -41.5 11.8 14.1 4.4 248 103 B T H 3<5S+ 0 0 104 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.829 105.1 55.7 -61.4 -32.8 14.1 11.1 4.2 249 104 B R T 3<5S- 0 0 93 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.443 115.8-119.1 -79.7 -0.7 11.1 9.0 3.3 250 105 B K T < 5 + 0 0 174 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.876 55.6 160.0 64.3 40.3 10.4 11.3 0.4 251 106 B I < - 0 0 23 -5,-2.2 -1,-0.2 4,-0.0 -2,-0.1 -0.856 27.7-149.2 -96.7 112.3 7.0 12.4 1.8 252 107 B S > - 0 0 57 -2,-0.7 4,-2.6 39,-0.1 5,-0.2 -0.207 25.9-107.4 -75.8 169.7 6.0 15.7 0.3 253 108 B A H > S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.854 122.6 51.5 -65.1 -34.9 3.8 18.4 1.9 254 109 B A H 4 S+ 0 0 79 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.888 110.9 47.1 -68.7 -40.1 1.0 17.4 -0.5 255 110 B E H >4 S+ 0 0 39 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.920 112.0 49.8 -66.9 -44.9 1.3 13.7 0.5 256 111 B F H >< S+ 0 0 37 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.840 100.0 67.2 -62.9 -34.1 1.4 14.6 4.2 257 112 B G G >< S+ 0 0 14 -4,-1.7 3,-1.8 1,-0.3 4,-0.3 0.644 77.7 82.1 -62.9 -15.0 -1.7 16.8 3.8 258 113 B K G < S+ 0 0 52 -3,-1.5 3,-0.5 -4,-0.3 -1,-0.3 0.630 76.7 72.7 -65.9 -11.1 -3.7 13.7 3.0 259 114 B I G <> S+ 0 0 29 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.640 77.9 78.0 -77.9 -14.2 -4.0 13.2 6.8 260 115 B N H <> S+ 0 0 49 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.882 89.0 54.0 -62.2 -41.2 -6.4 16.1 7.1 261 116 B G H > S+ 0 0 38 -3,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.965 110.4 44.6 -59.1 -55.3 -9.3 14.1 5.8 262 117 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.882 112.7 52.2 -56.9 -41.5 -9.0 11.3 8.5 263 118 B I H X S+ 0 0 9 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.930 110.0 48.9 -62.1 -44.5 -8.4 13.9 11.2 264 119 B K H X S+ 0 0 108 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.913 112.8 47.9 -61.1 -43.9 -11.6 15.7 10.2 265 120 B K H X S+ 0 0 116 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.897 113.1 46.7 -65.1 -42.3 -13.6 12.5 10.2 266 121 B V H X S+ 0 0 5 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.899 111.2 51.9 -67.8 -40.4 -12.3 11.3 13.5 267 122 B L H ><>S+ 0 0 2 -4,-2.6 5,-2.7 1,-0.2 3,-1.1 0.910 108.3 52.3 -61.3 -41.2 -12.9 14.7 15.1 268 123 B A H ><5S+ 0 0 58 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.838 101.5 59.4 -64.1 -33.4 -16.5 14.6 13.8 269 124 B S H 3<5S+ 0 0 73 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.693 108.1 46.5 -68.9 -16.9 -17.0 11.1 15.4 270 125 B K T <<5S- 0 0 75 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.272 126.5-105.3-104.1 6.4 -16.2 12.8 18.7 271 126 B N T < 5S+ 0 0 153 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.765 74.3 140.2 74.6 30.4 -18.6 15.7 17.8 272 127 B F < - 0 0 31 -5,-2.7 -1,-0.2 -8,-0.1 -2,-0.2 -0.913 39.7-152.7-105.5 108.5 -15.9 18.3 17.0 273 128 B G >> - 0 0 40 -2,-0.7 4,-1.7 -3,-0.1 3,-1.1 0.248 35.9 -66.5 -70.1-168.4 -17.1 20.2 14.0 274 129 B D H 3> S+ 0 0 109 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.803 125.1 65.4 -50.3 -37.6 -15.6 22.1 11.1 275 130 B K H 3> S+ 0 0 122 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.905 107.8 40.4 -54.6 -43.8 -14.2 24.8 13.5 276 131 B Y H <> S+ 0 0 48 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.846 111.1 56.8 -75.2 -35.5 -11.9 22.2 15.1 277 132 B A H X S+ 0 0 15 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.890 106.7 50.2 -62.9 -39.8 -11.1 20.6 11.7 278 133 B N H X S+ 0 0 100 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.859 107.7 54.2 -66.9 -35.4 -9.8 23.9 10.4 279 134 B A H X S+ 0 0 4 -4,-1.1 4,-1.3 -5,-0.2 3,-0.2 0.930 110.0 45.8 -64.3 -46.0 -7.7 24.4 13.5 280 135 B W H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.831 106.5 59.3 -67.0 -31.5 -6.0 21.1 13.1 281 136 B A H X S+ 0 0 32 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.867 104.1 52.2 -64.0 -35.3 -5.4 21.8 9.4 282 137 B K H X S+ 0 0 80 -4,-1.4 4,-0.9 -3,-0.2 -1,-0.2 0.857 108.4 49.8 -68.7 -35.7 -3.4 24.8 10.5 283 138 B L H >X S+ 0 0 4 -4,-1.3 4,-1.2 1,-0.2 3,-0.9 0.935 110.1 50.2 -67.5 -45.1 -1.3 22.7 12.8 284 139 B V H 3X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.843 103.5 61.9 -60.2 -32.9 -0.7 20.3 9.9 285 140 B A H 3X S+ 0 0 38 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.802 97.0 57.4 -64.3 -30.1 0.3 23.3 7.8 286 141 B V H X S+ 0 0 4 -4,-1.2 3,-1.4 1,-0.2 4,-0.5 0.908 109.7 55.8 -67.8 -41.9 4.6 20.6 9.5 288 143 B Q H >< S+ 0 0 52 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.838 100.0 60.4 -59.1 -33.5 3.9 20.9 5.8 289 144 B A H 3< S+ 0 0 30 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.736 103.9 51.0 -66.7 -22.1 6.0 24.1 5.8 290 145 B A H << 0 0 16 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.518 360.0 360.0 -93.2 -6.9 9.0 22.0 7.0 291 146 B L << 0 0 66 -3,-1.0 -39,-0.1 -4,-0.5 -47,-0.1 -0.447 360.0 360.0 -94.9 360.0 8.7 19.3 4.3