==== 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 2AUP . 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) . 13667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 85.9 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 . 66 22.8 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 2 0 0 0 1 1 0 0 0 2 4 0 2 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 86 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 165.3 13.8 -11.8 24.1 2 3 A V H > + 0 0 5 141,-0.3 4,-1.9 1,-0.2 5,-0.1 0.767 360.0 58.2 -67.5 -24.3 11.9 -8.6 24.5 3 4 A Y H > S+ 0 0 138 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.872 108.3 44.3 -73.2 -37.1 8.9 -10.6 25.8 4 5 A D H 4 S+ 0 0 102 2,-0.2 4,-0.5 1,-0.2 3,-0.5 0.923 113.2 51.1 -71.4 -44.4 11.0 -12.1 28.6 5 6 A A H >< S+ 0 0 17 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.865 105.0 55.8 -60.4 -40.3 12.5 -8.7 29.5 6 7 A A H >< S+ 0 0 10 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.828 100.6 61.1 -62.9 -30.4 9.1 -7.0 29.6 7 8 A A T 3< S+ 0 0 68 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.659 88.6 70.5 -70.7 -16.9 8.1 -9.6 32.2 8 9 A Q T < S+ 0 0 110 -3,-1.3 2,-1.7 -4,-0.5 -1,-0.3 0.562 72.7 96.8 -77.3 -7.7 10.9 -8.4 34.6 9 10 A L < - 0 0 12 -3,-1.3 -1,-0.1 -4,-0.2 -3,-0.0 -0.618 64.6-176.4 -84.5 84.4 8.9 -5.2 35.1 10 11 A T > - 0 0 79 -2,-1.7 4,-2.4 1,-0.1 3,-0.4 -0.166 41.9 -87.6 -77.3 172.8 7.2 -6.3 38.4 11 12 A A H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.865 127.0 42.6 -47.5 -47.6 4.6 -4.4 40.4 12 13 A D H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.797 109.8 55.7 -75.5 -28.6 7.1 -2.5 42.4 13 14 A V H > S+ 0 0 15 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.925 109.4 48.3 -67.4 -43.3 9.4 -1.7 39.5 14 15 A K H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.916 110.6 51.2 -60.8 -45.0 6.5 -0.1 37.7 15 16 A K H X S+ 0 0 111 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.923 110.2 48.1 -59.4 -46.5 5.5 1.9 40.8 16 17 A D H X S+ 0 0 22 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.852 110.4 53.2 -63.6 -34.9 9.1 3.3 41.2 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.924 112.3 43.8 -65.7 -45.0 9.1 4.2 37.5 18 19 A R H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.920 112.1 52.1 -66.1 -46.0 5.9 6.2 37.8 19 20 A D H X S+ 0 0 55 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.909 116.0 39.7 -58.4 -45.0 6.9 7.9 41.1 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 3,-0.9 0.876 112.5 55.5 -74.2 -37.3 10.2 9.1 39.7 21 22 A W H 3X S+ 0 0 15 -4,-2.2 4,-3.2 1,-0.3 5,-0.3 0.856 95.4 67.9 -63.2 -34.3 8.7 10.0 36.2 22 23 A K H 3< S+ 0 0 165 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.855 113.3 30.9 -52.4 -36.5 6.2 12.2 37.9 23 24 A V H X< S+ 0 0 61 -3,-0.9 3,-1.2 -4,-0.6 4,-0.5 0.919 124.1 43.4 -87.6 -54.6 9.1 14.5 38.8 24 25 A I H >< S+ 0 0 14 -4,-2.7 3,-1.2 1,-0.3 7,-0.3 0.907 112.3 54.0 -59.7 -43.9 11.5 13.9 35.9 25 26 A G T 3< S+ 0 0 5 -4,-3.2 3,-0.5 -5,-0.2 -1,-0.3 0.566 90.0 79.3 -69.2 -8.0 8.7 14.1 33.4 26 27 A S T < S+ 0 0 101 -3,-1.2 2,-0.4 1,-0.3 -1,-0.2 0.817 102.0 34.5 -68.4 -33.0 7.6 17.5 34.7 27 28 A D <> + 0 0 82 -3,-1.2 4,-2.6 -4,-0.5 5,-0.4 -0.728 69.2 165.0-123.4 79.2 10.4 19.3 32.9 28 29 A K H > S+ 0 0 37 -3,-0.5 4,-1.5 -2,-0.4 5,-0.2 0.891 77.9 45.9 -64.2 -41.4 10.9 17.4 29.6 29 30 A K H > S+ 0 0 69 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.959 118.1 42.5 -66.7 -49.8 13.0 20.1 27.9 30 31 A G H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.948 121.8 36.9 -62.1 -53.6 15.2 20.7 31.0 31 32 A N H X S+ 0 0 12 -4,-2.6 4,-2.0 -7,-0.3 -1,-0.2 0.752 114.3 59.0 -72.5 -24.7 15.8 17.1 32.0 32 33 A G H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.4 -2,-0.2 0.947 110.1 40.1 -69.5 -48.9 15.9 16.0 28.3 33 34 A V H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.859 114.2 54.8 -67.6 -35.3 18.8 18.3 27.5 34 35 A A H X S+ 0 0 32 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.909 107.4 51.5 -62.8 -41.4 20.5 17.4 30.8 35 36 A L H X S+ 0 0 8 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.937 113.3 42.7 -60.7 -50.7 20.2 13.8 29.9 36 37 A M H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.891 112.9 51.0 -65.8 -42.9 21.9 14.2 26.5 37 38 A T H X S+ 0 0 47 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.868 109.8 51.2 -64.5 -35.7 24.6 16.6 27.6 38 39 A T H X S+ 0 0 29 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.880 108.6 52.5 -67.8 -37.2 25.5 14.1 30.4 39 40 A L H X S+ 0 0 13 -4,-1.6 4,-2.8 1,-0.2 7,-0.2 0.940 111.0 45.6 -62.0 -48.8 25.7 11.3 27.8 40 41 A F H < S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.770 115.8 48.2 -66.9 -25.5 28.1 13.3 25.6 41 42 A A H < S+ 0 0 70 -4,-1.5 3,-0.5 -5,-0.2 -2,-0.2 0.907 119.1 35.5 -81.1 -44.9 30.2 14.3 28.7 42 43 A D H < S+ 0 0 71 -4,-2.9 2,-0.3 1,-0.2 -2,-0.2 0.834 131.2 31.7 -77.9 -35.1 30.5 10.8 30.2 43 44 A N >< + 0 0 36 -4,-2.8 3,-2.4 -5,-0.3 4,-0.3 -0.595 64.5 171.0-127.2 73.2 30.7 9.0 26.9 44 45 A Q G > S+ 0 0 129 -3,-0.5 3,-1.1 -2,-0.3 4,-0.3 0.722 72.8 72.4 -50.3 -27.3 32.4 11.3 24.4 45 46 A E G > S+ 0 0 103 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.702 86.8 63.0 -67.3 -18.8 32.6 8.4 22.0 46 47 A T G X S+ 0 0 5 -3,-2.4 3,-1.4 -7,-0.2 4,-0.5 0.657 77.6 85.5 -80.6 -16.7 28.8 8.5 21.3 47 48 A I G X S+ 0 0 51 -3,-1.1 3,-1.8 -4,-0.3 -1,-0.2 0.824 76.3 70.6 -54.4 -33.4 28.9 12.0 19.8 48 49 A G G X S+ 0 0 38 -3,-0.6 3,-1.1 -4,-0.3 -1,-0.3 0.825 91.8 56.8 -54.6 -35.3 29.7 10.6 16.4 49 50 A Y G < S+ 0 0 107 -3,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.684 102.9 57.8 -70.0 -18.3 26.2 9.1 16.0 50 51 A F G X> + 0 0 47 -3,-1.8 3,-1.7 -4,-0.5 4,-0.6 0.018 61.9 130.3-103.8 27.8 24.8 12.6 16.5 51 52 A K G X4 + 0 0 176 -3,-1.1 3,-1.0 1,-0.3 -1,-0.2 0.803 68.1 62.2 -48.8 -36.5 26.6 14.4 13.6 52 53 A R G 34 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.802 94.8 61.7 -63.1 -30.6 23.3 15.8 12.4 53 54 A L G <4 S- 0 0 7 -3,-1.7 12,-0.4 1,-0.2 11,-0.2 0.700 92.8-157.9 -70.1 -21.9 22.8 17.8 15.6 54 55 A G << + 0 0 47 -3,-1.0 2,-1.6 -4,-0.6 -1,-0.2 -0.539 60.0 18.5 84.2-144.3 26.0 19.8 15.1 55 56 A D > - 0 0 91 -2,-0.2 3,-1.2 1,-0.2 4,-0.1 -0.506 67.6-178.0 -70.0 92.6 27.9 21.5 17.9 56 57 A V G > + 0 0 15 -2,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.599 69.6 72.5 -69.3 -15.2 26.4 19.5 20.8 57 58 A S G 3 S+ 0 0 100 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.583 78.3 79.0 -78.2 -8.3 28.3 21.4 23.5 58 59 A Q G X S- 0 0 106 -3,-1.2 3,-1.6 1,-0.2 -1,-0.2 0.661 78.5-177.0 -70.8 -16.8 26.0 24.4 22.9 59 60 A G G X + 0 0 10 -3,-1.1 3,-2.2 1,-0.3 7,-0.2 -0.277 62.6 8.9 58.8-131.7 23.4 22.6 25.0 60 61 A M G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.761 124.9 64.4 -51.7 -31.1 20.0 24.3 25.2 61 62 A A G < S+ 0 0 72 -3,-1.6 2,-0.9 1,-0.1 -1,-0.3 0.663 81.5 89.1 -70.5 -17.5 21.1 26.9 22.6 62 63 A N <> - 0 0 21 -3,-2.2 4,-2.8 1,-0.2 5,-0.2 -0.750 65.0-160.8 -85.9 107.3 21.3 24.2 19.9 63 64 A D H > S+ 0 0 73 -2,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.861 89.3 49.7 -54.9 -42.4 17.8 24.0 18.4 64 65 A K H > S+ 0 0 106 -11,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 113.3 45.3 -65.3 -45.0 18.5 20.5 16.9 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.907 114.8 49.2 -64.5 -41.2 19.8 19.1 20.1 66 67 A R H X S+ 0 0 18 -4,-2.8 4,-2.2 -7,-0.2 5,-0.2 0.921 111.1 48.9 -64.3 -44.1 16.9 20.7 22.0 67 68 A G H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.902 114.2 46.2 -62.5 -41.6 14.3 19.4 19.5 68 69 A H H X S+ 0 0 27 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 111.0 52.1 -66.1 -46.3 15.8 15.9 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.895 110.0 47.5 -58.3 -44.6 16.0 16.0 23.6 70 71 A I H X S+ 0 0 1 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.931 111.6 51.6 -63.3 -45.4 12.4 17.0 24.0 71 72 A T H X S+ 0 0 22 -4,-1.8 4,-0.8 1,-0.2 3,-0.3 0.838 104.7 56.2 -60.9 -35.3 11.3 14.2 21.6 72 73 A L H >X S+ 0 0 42 -4,-2.1 4,-1.5 1,-0.2 3,-0.7 0.895 103.2 55.9 -64.4 -38.6 13.3 11.6 23.5 73 74 A M H 3X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.790 102.6 54.1 -65.1 -30.1 11.3 12.5 26.7 74 75 A Y H 3X S+ 0 0 7 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.3 0.722 103.7 56.9 -77.3 -19.2 8.0 11.8 24.9 75 76 A A H < S+ 0 0 14 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.925 110.3 50.7 -55.1 -50.0 6.8 3.8 27.8 80 81 A I H >< S+ 0 0 6 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.887 109.0 52.3 -57.2 -40.4 5.5 4.9 31.1 81 82 A D H 3< S+ 0 0 63 -4,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.724 107.3 52.5 -70.2 -21.3 2.0 5.1 29.7 82 83 A Q T X< S+ 0 0 19 -4,-1.2 3,-0.9 -3,-0.8 7,-0.5 0.399 76.5 101.9 -95.1 2.7 2.2 1.6 28.4 83 84 A L T < S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.802 74.4 61.1 -56.5 -31.2 3.2 -0.1 31.6 84 85 A D T 3 S+ 0 0 123 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.855 108.7 42.2 -64.5 -36.4 -0.3 -1.4 32.3 85 86 A N X> - 0 0 58 -3,-0.9 4,-2.3 -4,-0.1 3,-0.6 -0.895 63.5-167.4-119.2 102.6 -0.4 -3.5 29.1 86 87 A P H 3> S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.778 89.7 61.0 -57.8 -27.3 2.8 -5.5 28.3 87 88 A D H 3> S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.925 110.6 39.9 -64.5 -43.4 1.5 -6.2 24.8 88 89 A D H <> S+ 0 0 8 -3,-0.6 4,-1.6 2,-0.2 5,-0.2 0.852 112.3 55.7 -74.2 -36.5 1.4 -2.5 24.1 89 90 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 -7,-0.5 -2,-0.2 0.939 109.1 48.8 -61.3 -45.1 4.6 -1.8 25.8 90 91 A V H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.914 109.7 48.0 -62.2 -47.3 6.4 -4.4 23.6 91 92 A C H X S+ 0 0 8 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.814 114.3 48.8 -66.6 -27.0 5.1 -3.1 20.2 92 93 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.903 110.6 50.0 -76.4 -42.0 6.0 0.4 21.2 93 94 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.919 111.5 48.6 -61.4 -44.0 9.5 -0.6 22.3 94 95 A E H X S+ 0 0 75 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.792 106.6 58.0 -68.4 -26.4 10.0 -2.5 19.0 95 96 A K H X S+ 0 0 44 -4,-1.0 4,-0.6 -5,-0.2 3,-0.3 0.949 110.4 41.4 -67.2 -49.0 8.8 0.6 17.1 96 97 A Y H X S+ 0 0 50 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.771 108.6 63.2 -69.2 -25.9 11.5 2.8 18.6 97 98 A A H X S+ 0 0 2 -4,-1.6 4,-2.6 -5,-0.2 3,-0.4 0.876 88.7 71.0 -66.0 -38.1 14.0 -0.0 18.2 98 99 A V H X S+ 0 0 33 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.893 100.1 41.8 -45.4 -57.1 13.7 -0.0 14.4 99 100 A N H X S+ 0 0 47 -4,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.810 114.2 52.0 -66.0 -30.0 15.5 3.3 13.8 100 101 A H H <>S+ 0 0 58 -4,-0.9 5,-2.7 -3,-0.4 -1,-0.2 0.857 110.0 49.5 -73.4 -34.0 18.2 2.6 16.3 101 102 A I H ><5S+ 0 0 85 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.921 107.9 54.9 -65.9 -43.5 18.8 -0.8 14.6 102 103 A T H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.816 107.5 49.8 -58.1 -32.8 19.0 1.1 11.4 103 104 A R T 3<5S- 0 0 106 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.359 115.9-115.8 -89.4 4.3 21.7 3.4 12.9 104 105 A K T < 5 + 0 0 167 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.851 57.2 160.6 64.4 35.5 23.7 0.3 14.0 105 106 A I < - 0 0 19 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.815 27.5-150.2 -88.7 117.2 23.2 1.3 17.7 106 107 A S > - 0 0 51 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.268 25.2-105.1 -84.1 173.4 23.9 -2.0 19.6 107 108 A A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.915 123.3 49.7 -62.9 -44.0 22.5 -3.1 23.0 108 109 A A H 4 S+ 0 0 78 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.868 112.4 48.4 -62.8 -37.1 25.7 -2.3 24.7 109 110 A E H >4 S+ 0 0 44 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.910 110.4 50.1 -68.8 -44.3 25.7 1.1 23.1 110 111 A F H >< S+ 0 0 42 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.871 100.4 65.9 -62.5 -36.3 22.1 1.8 24.1 111 112 A G G >< S+ 0 0 15 -4,-2.2 3,-1.5 1,-0.3 4,-0.3 0.609 78.3 83.7 -62.6 -12.0 23.0 0.8 27.6 112 113 A K G X S+ 0 0 54 -3,-1.5 3,-1.0 1,-0.3 -1,-0.3 0.758 76.1 72.4 -63.1 -22.9 25.2 3.8 27.9 113 114 A I G <> S+ 0 0 28 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.677 77.0 77.6 -68.1 -18.0 22.1 5.9 28.8 114 115 A N H <> S+ 0 0 43 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.842 89.2 55.6 -61.6 -35.1 21.9 4.3 32.2 115 116 A G H <> S+ 0 0 29 -3,-1.0 4,-2.0 -4,-0.3 -1,-0.2 0.976 109.8 44.2 -62.6 -55.7 24.7 6.5 33.6 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.872 113.5 51.8 -56.8 -38.9 22.9 9.8 32.6 117 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-84.3 106.6 -1.5 -5.8 14.0 209 64 B D H > S+ 0 0 88 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.857 90.2 51.8 -51.2 -43.7 1.2 -5.2 16.6 210 65 B K H > S+ 0 0 94 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 112.8 44.2 -61.6 -47.3 3.4 -3.2 14.2 211 66 B L H > S+ 0 0 0 -12,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.897 113.7 50.6 -64.9 -41.6 0.6 -0.9 13.2 212 67 B R H X S+ 0 0 17 -4,-2.7 4,-2.4 -7,-0.3 5,-0.2 0.923 110.1 50.7 -62.9 -43.2 -0.5 -0.4 16.8 213 68 B G H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.912 113.4 44.6 -61.1 -44.3 3.0 0.4 17.8 214 69 B H H X S+ 0 0 28 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 112.3 52.4 -65.4 -45.4 3.3 3.0 15.0 215 70 B S H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.882 109.9 46.9 -59.4 -44.4 -0.1 4.5 15.7 216 71 B I H X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.922 112.3 50.9 -65.5 -42.8 0.5 5.0 19.5 217 72 B T H X S+ 0 0 24 -4,-1.8 4,-0.8 -5,-0.2 3,-0.4 0.836 105.0 56.9 -63.7 -33.9 3.9 6.6 18.8 218 73 B L H >X S+ 0 0 41 -4,-2.0 4,-1.5 1,-0.2 3,-0.8 0.886 101.9 56.9 -64.5 -37.8 2.3 9.0 16.2 219 74 B M H 3X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.3 -1,-0.2 0.774 101.3 55.7 -65.5 -27.3 -0.0 10.2 18.9 220 75 B Y H 3X S+ 0 0 6 -4,-0.9 4,-1.7 -3,-0.4 -1,-0.3 0.711 101.9 57.1 -78.4 -19.2 2.9 11.2 21.2 221 76 B A H X S+ 0 0 13 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.932 110.8 50.5 -58.8 -49.0 3.2 19.5 19.4 226 81 B I H >< S+ 0 0 5 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.890 109.3 52.0 -58.3 -40.5 0.2 20.4 21.7 227 82 B D H 3< S+ 0 0 71 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.747 110.5 48.2 -69.4 -23.2 2.5 20.8 24.7 228 83 B Q H X< S+ 0 0 21 -4,-1.2 3,-2.0 -3,-0.7 7,-0.5 0.418 76.5 107.5 -96.9 -0.1 4.8 23.2 22.8 229 84 B L T << S+ 0 0 6 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 0.778 76.0 54.2 -49.2 -34.5 2.1 25.5 21.3 230 85 B D T 3 S+ 0 0 113 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.579 104.6 55.1 -81.5 -9.7 3.0 28.4 23.7 231 86 B N X> - 0 0 54 -3,-2.0 4,-2.5 1,-0.1 3,-1.0 -0.808 64.1-168.7-127.0 91.9 6.7 28.6 22.8 232 87 B P H 3> S+ 0 0 64 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.817 86.9 57.9 -44.3 -41.8 7.2 29.0 19.0 233 88 B D H 3> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.895 111.9 39.6 -60.7 -42.0 10.9 28.3 19.3 234 89 B D H <> S+ 0 0 9 -3,-1.0 4,-2.1 2,-0.2 5,-0.2 0.901 114.6 52.7 -75.1 -41.5 10.4 24.9 20.9 235 90 B L H X S+ 0 0 3 -4,-2.5 4,-2.5 -7,-0.5 -2,-0.2 0.928 110.8 49.1 -58.9 -45.1 7.4 24.1 18.7 236 91 B V H X S+ 0 0 2 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.900 111.0 46.6 -63.7 -43.7 9.6 24.8 15.6 237 92 B C H X S+ 0 0 5 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.851 115.1 48.5 -69.4 -31.1 12.6 22.8 16.6 238 93 B V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.881 110.4 50.5 -73.8 -38.9 10.3 19.9 17.5 239 94 B V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.896 111.8 48.0 -65.0 -40.5 8.5 20.1 14.2 240 95 B E H X S+ 0 0 98 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.806 106.6 57.8 -70.4 -30.5 11.7 20.1 12.3 241 96 B K H >X S+ 0 0 43 -4,-1.3 3,-0.6 1,-0.2 4,-0.6 0.961 110.5 42.3 -63.2 -50.1 13.0 17.1 14.3 242 97 B Y H 3X S+ 0 0 49 -4,-1.9 4,-0.8 1,-0.2 3,-0.2 0.777 107.7 62.7 -66.8 -27.6 10.0 15.0 13.2 243 98 B A H 3X S+ 0 0 2 -4,-1.4 4,-2.4 1,-0.2 5,-0.3 0.820 87.6 72.6 -69.0 -31.0 10.3 16.4 9.6 244 99 B V H S+ 0 0 54 -4,-0.8 5,-2.6 -3,-0.2 -1,-0.2 0.855 109.8 49.0 -74.8 -33.8 9.6 12.1 6.6 247 102 B I H ><5S+ 0 0 84 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.929 108.3 55.1 -66.7 -44.5 11.9 14.0 4.2 248 103 B T H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 106.3 50.9 -58.0 -29.9 14.2 11.0 4.3 249 104 B R T 3<5S- 0 0 97 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.351 117.6-117.5 -89.9 5.7 11.2 8.8 3.2 250 105 B K T < 5 + 0 0 163 -3,-2.3 2,-0.8 1,-0.2 -3,-0.2 0.881 56.4 161.4 60.1 41.6 10.6 11.3 0.4 251 106 B I < - 0 0 24 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.849 27.3-147.9 -96.0 110.9 7.2 12.2 1.8 252 107 B S > - 0 0 56 -2,-0.8 4,-2.8 -3,-0.1 5,-0.2 -0.194 24.5-107.0 -75.1 168.6 6.1 15.5 0.3 253 108 B A H > S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.879 122.1 49.8 -62.7 -38.8 4.0 18.3 1.9 254 109 B A H 4 S+ 0 0 77 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.912 112.2 47.2 -66.7 -42.7 1.1 17.4 -0.4 255 110 B E H >4 S+ 0 0 36 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.920 112.2 49.9 -63.7 -44.4 1.4 13.7 0.5 256 111 B F H >< S+ 0 0 44 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.843 99.9 67.4 -63.2 -33.5 1.7 14.6 4.2 257 112 B G G >< S+ 0 0 15 -4,-1.8 3,-1.6 1,-0.3 4,-0.3 0.593 76.9 83.1 -64.8 -10.7 -1.4 16.7 3.8 258 113 B K G X S+ 0 0 53 -3,-1.5 3,-0.6 -4,-0.3 -1,-0.3 0.654 74.9 74.3 -68.5 -12.9 -3.6 13.6 3.2 259 114 B I G <> S+ 0 0 27 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.659 77.9 77.3 -73.8 -15.4 -3.8 13.2 7.0 260 115 B N H <> S+ 0 0 47 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.880 89.3 53.4 -63.0 -40.0 -6.2 16.1 7.2 261 116 B G H <> S+ 0 0 36 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.2 0.976 111.6 44.8 -59.7 -55.9 -9.1 14.0 5.9 262 117 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.880 111.4 53.5 -55.4 -41.7 -8.6 11.3 8.6 263 118 B I H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.930 108.1 51.0 -60.2 -43.7 -8.1 13.9 11.3 264 119 B K H X S+ 0 0 110 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 111.9 46.3 -60.9 -42.2 -11.4 15.6 10.4 265 120 B K H X S+ 0 0 110 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.884 112.5 49.3 -69.4 -39.8 -13.3 12.3 10.5 266 121 B V H X S+ 0 0 8 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.908 112.3 48.7 -65.9 -41.1 -11.8 11.3 13.8 267 122 B L H ><>S+ 0 0 4 -4,-2.6 5,-2.1 -5,-0.2 3,-0.9 0.922 110.1 51.5 -63.3 -43.4 -12.6 14.7 15.3 268 123 B A H ><5S+ 0 0 54 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.826 100.1 63.7 -62.5 -32.5 -16.2 14.4 14.0 269 124 B S H 3<5S+ 0 0 81 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.831 108.0 41.9 -59.9 -33.2 -16.4 11.0 15.6 270 125 B K T <<5S- 0 0 85 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.135 127.0-104.7 -99.8 17.3 -16.0 12.8 19.0 271 126 B N T < 5S+ 0 0 148 -3,-1.9 2,-0.6 1,-0.2 -3,-0.3 0.832 71.4 143.6 62.9 40.2 -18.4 15.5 17.8 272 127 B F < - 0 0 28 -5,-2.1 -1,-0.2 -8,-0.2 -2,-0.1 -0.945 38.3-148.7-108.4 113.4 -15.9 18.3 17.0 273 128 B G >> - 0 0 44 -2,-0.6 4,-1.6 -3,-0.1 3,-1.3 0.177 36.3 -67.4 -71.9-168.6 -17.0 20.2 14.0 274 129 B D H 3> S+ 0 0 100 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.774 124.3 68.0 -49.5 -36.3 -15.3 22.0 11.1 275 130 B K H 3> S+ 0 0 122 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.903 107.2 38.9 -53.2 -45.6 -14.1 24.7 13.5 276 131 B Y H <> S+ 0 0 51 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.841 111.8 57.3 -75.3 -36.4 -11.7 22.1 15.1 277 132 B A H X S+ 0 0 14 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.885 107.2 49.1 -62.8 -38.5 -10.8 20.5 11.8 278 133 B N H X S+ 0 0 99 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.854 107.9 54.2 -69.3 -34.7 -9.6 23.8 10.5 279 134 B A H X S+ 0 0 3 -4,-1.1 4,-1.2 -5,-0.2 3,-0.3 0.932 110.5 46.0 -63.5 -46.2 -7.5 24.4 13.6 280 135 B W H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.814 105.3 60.4 -66.3 -31.5 -5.8 21.0 13.1 281 136 B A H X S+ 0 0 32 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.865 104.2 51.8 -63.5 -34.9 -5.3 21.7 9.4 282 137 B K H X S+ 0 0 73 -4,-1.4 4,-0.7 -3,-0.3 -1,-0.2 0.824 107.8 50.1 -71.0 -32.7 -3.2 24.7 10.5 283 138 B L H >X S+ 0 0 3 -4,-1.2 4,-1.0 1,-0.2 3,-1.0 0.929 111.1 49.3 -69.9 -44.7 -1.1 22.6 12.9 284 139 B V H 3X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.3 3,-0.3 0.844 103.7 61.6 -60.8 -34.6 -0.5 20.1 10.1 285 140 B A H 3X S+ 0 0 39 -4,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.771 95.9 60.6 -64.3 -26.7 0.5 23.1 7.8 286 141 B V H << S+ 0 0 0 -3,-1.0 4,-0.4 -4,-0.7 -1,-0.2 0.906 108.0 42.8 -68.2 -40.1 3.3 23.9 10.2 287 142 B V H >< S+ 0 0 5 -4,-1.0 3,-1.4 -3,-0.3 4,-0.4 0.883 109.6 58.3 -71.4 -38.2 4.9 20.5 9.5 288 143 B Q H >< S+ 0 0 49 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.833 98.8 59.8 -59.2 -33.0 4.2 20.8 5.8 289 144 B A T 3< S+ 0 0 30 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.716 104.4 50.1 -69.2 -20.0 6.2 24.0 5.8 290 145 B A T < 0 0 21 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.465 360.0 360.0 -95.8 -3.5 9.2 22.0 7.0 291 146 B L < 0 0 66 -3,-1.1 -39,-0.1 -4,-0.4 -47,-0.1 -0.472 360.0 360.0 -96.6 360.0 8.7 19.4 4.2