==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 23-JUN-93 3SDH . COMPND 2 MOLECULE: HEMOGLOBIN I (CARBONMONOXY); . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR W.E.ROYERJUNIOR . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 85.5 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 . 65 22.4 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 0 2 0 0 0 2 0 0 0 2 3 2 1 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 89 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 128.5 38.4 -21.7 23.7 2 3 A V H > + 0 0 10 141,-0.3 4,-2.6 1,-0.2 5,-0.1 0.854 360.0 54.0 -57.8 -37.0 36.5 -18.4 23.9 3 4 A Y H > S+ 0 0 123 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.875 108.8 46.6 -69.5 -36.4 33.5 -20.4 25.4 4 5 A D H > S+ 0 0 116 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.912 113.3 50.0 -68.2 -41.0 35.7 -21.9 28.1 5 6 A A H >< S+ 0 0 19 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.924 108.2 52.7 -62.9 -42.9 37.2 -18.5 28.9 6 7 A A H >< S+ 0 0 12 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.817 100.8 62.5 -61.0 -31.1 33.7 -16.9 29.1 7 8 A A H 3< S+ 0 0 68 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.671 89.5 69.0 -70.5 -19.6 32.8 -19.6 31.6 8 9 A Q T << S+ 0 0 102 -3,-1.4 2,-1.7 -4,-0.6 -1,-0.3 0.470 72.1 97.2 -75.2 -6.3 35.4 -18.3 34.0 9 10 A L < + 0 0 15 -3,-1.6 -1,-0.1 -4,-0.1 -3,-0.0 -0.643 62.5 178.7 -89.2 84.3 33.3 -15.2 34.5 10 11 A T > - 0 0 72 -2,-1.7 4,-3.0 1,-0.1 5,-0.3 -0.122 45.9 -90.0 -75.3 174.2 31.7 -16.3 37.7 11 12 A A H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 126.9 48.5 -54.0 -44.5 29.2 -14.3 39.8 12 13 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 112.0 48.5 -64.9 -40.8 31.9 -12.8 41.9 13 14 A V H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 110.9 50.5 -67.7 -45.3 34.0 -11.8 38.9 14 15 A K H X S+ 0 0 58 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.907 110.6 50.2 -56.6 -45.4 31.0 -10.2 37.2 15 16 A K H X S+ 0 0 119 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.929 110.1 49.1 -60.8 -42.9 30.1 -8.2 40.3 16 17 A D H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.878 111.6 50.3 -67.7 -33.7 33.7 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.944 113.8 44.4 -64.2 -48.6 33.7 -5.9 36.9 18 19 A R H X S+ 0 0 83 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.922 113.1 50.4 -62.9 -42.4 30.4 -4.1 37.2 19 20 A D H X S+ 0 0 57 -4,-2.9 4,-0.7 -5,-0.2 -1,-0.2 0.919 116.1 40.4 -63.5 -41.8 31.3 -2.3 40.5 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 3,-0.8 0.889 110.9 57.9 -75.3 -35.0 34.7 -1.0 39.2 21 22 A W H 3X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.3 5,-0.2 0.855 94.5 67.2 -61.8 -35.6 33.2 -0.2 35.8 22 23 A K H 3< S+ 0 0 165 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.911 112.5 32.5 -50.1 -40.5 30.7 2.1 37.6 23 24 A V H X< S+ 0 0 55 -3,-0.8 3,-0.9 -4,-0.7 4,-0.3 0.950 124.1 40.2 -84.3 -52.0 33.7 4.3 38.5 24 25 A I H >< S+ 0 0 10 -4,-2.8 3,-1.3 1,-0.2 7,-0.2 0.886 112.8 55.6 -70.1 -32.0 36.0 3.9 35.5 25 26 A G T 3< S+ 0 0 4 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.2 0.560 90.5 75.5 -72.5 -9.6 33.3 4.0 32.9 26 27 A S T < S+ 0 0 99 -3,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.643 101.1 40.2 -79.9 -16.0 32.0 7.4 34.2 27 28 A D <> + 0 0 75 -3,-1.3 4,-2.7 -4,-0.3 5,-0.4 -0.668 68.7 164.0-130.4 80.1 34.9 9.3 32.6 28 29 A K H > S+ 0 0 35 -3,-0.4 4,-2.3 -2,-0.3 5,-0.3 0.907 74.8 47.0 -66.8 -41.1 35.4 7.6 29.2 29 30 A K H > S+ 0 0 61 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.960 118.5 39.4 -62.2 -53.3 37.5 10.4 27.7 30 31 A G H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.940 122.4 40.0 -67.9 -46.3 39.8 10.8 30.6 31 32 A N H X S+ 0 0 11 -4,-2.7 4,-2.3 -7,-0.2 -1,-0.2 0.858 114.1 54.4 -74.5 -35.1 40.2 7.2 31.6 32 33 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.4 -2,-0.2 0.928 111.4 44.1 -59.2 -49.4 40.4 6.0 27.9 33 34 A V H X S+ 0 0 10 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.879 112.3 53.4 -65.7 -37.2 43.2 8.4 27.2 34 35 A A H X S+ 0 0 31 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.897 107.3 51.9 -61.5 -43.0 45.0 7.4 30.5 35 36 A L H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.947 113.5 43.5 -57.1 -46.7 44.8 3.8 29.5 36 37 A M H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.925 113.3 49.1 -68.6 -46.9 46.3 4.4 26.1 37 38 A T H X S+ 0 0 52 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.881 111.2 51.8 -63.7 -31.7 49.1 6.8 27.3 38 39 A T H X S+ 0 0 28 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.921 108.9 50.7 -66.4 -42.1 50.0 4.2 30.0 39 40 A L H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.944 113.2 45.4 -54.2 -48.8 50.2 1.5 27.3 40 41 A F H < S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.811 115.1 47.0 -68.1 -36.0 52.5 3.7 25.2 41 42 A A H < S+ 0 0 74 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.2 0.897 121.3 34.8 -73.2 -41.1 54.7 4.7 28.1 42 43 A D H < S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.634 129.0 35.2 -86.5 -22.7 55.1 1.2 29.7 43 44 A N >< + 0 0 33 -4,-2.1 3,-2.2 -5,-0.3 4,-0.2 -0.507 64.3 165.7-135.7 66.8 55.2 -0.7 26.3 44 45 A Q G > S+ 0 0 149 -3,-0.4 3,-1.6 1,-0.3 4,-0.3 0.697 70.1 71.4 -55.8 -27.8 57.0 1.6 23.8 45 46 A E G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.476 91.9 58.5 -69.7 -8.7 57.4 -1.3 21.4 46 47 A T G X S+ 0 0 7 -3,-2.2 3,-1.3 -7,-0.2 4,-0.3 0.557 79.5 88.1 -93.4 -12.9 53.6 -1.2 20.7 47 48 A I G X S+ 0 0 61 -3,-1.6 3,-2.2 1,-0.2 -2,-0.1 0.852 76.6 66.7 -54.7 -37.4 53.6 2.4 19.5 48 49 A G G > S+ 0 0 46 -4,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.758 91.6 61.7 -55.2 -31.3 54.3 1.4 15.9 49 50 A Y G < S+ 0 0 95 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.675 98.9 58.3 -67.1 -19.7 51.0 -0.4 15.5 50 51 A F G X + 0 0 49 -3,-2.2 3,-2.2 -4,-0.3 4,-0.4 0.010 62.8 130.4-105.8 26.4 49.2 2.9 16.1 51 52 A K G X + 0 0 165 -3,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.820 65.1 64.7 -46.3 -39.0 50.7 4.8 13.2 52 53 A R G 3 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.797 93.7 61.3 -60.6 -28.1 47.4 6.0 12.0 53 54 A L G < S- 0 0 6 -3,-2.2 12,-0.4 1,-0.2 -1,-0.3 0.575 94.8-150.0 -80.6 -8.7 46.9 8.1 15.2 54 55 A G < + 0 0 54 -3,-1.8 2,-1.4 -4,-0.4 -1,-0.2 -0.572 64.7 13.1 84.9-138.3 49.9 10.3 14.6 55 56 A N > + 0 0 83 -2,-0.2 3,-1.8 1,-0.2 4,-0.1 -0.609 62.5 179.8 -83.8 92.7 51.9 11.7 17.5 56 57 A V G > S+ 0 0 12 -2,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.698 72.3 75.4 -68.1 -19.1 50.6 9.7 20.5 57 58 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.699 81.3 72.5 -66.7 -13.6 52.8 11.6 22.9 58 59 A Q G X S- 0 0 101 -3,-1.8 3,-1.7 1,-0.2 -1,-0.3 0.610 81.4-176.0 -74.6 -16.7 50.5 14.6 22.5 59 60 A G G X + 0 0 10 -3,-1.9 3,-2.0 1,-0.3 7,-0.2 -0.228 63.8 7.6 63.3-132.4 47.9 12.7 24.6 60 61 A M G 3 S+ 0 0 81 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.732 124.9 65.2 -59.7 -22.8 44.5 14.4 25.0 61 62 A A G < S+ 0 0 76 -3,-1.7 2,-0.8 4,-0.1 -1,-0.3 0.584 81.4 88.8 -76.1 -15.2 45.5 17.1 22.5 62 63 A N <> - 0 0 11 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 -0.807 66.1-159.1 -90.7 111.6 45.7 14.5 19.7 63 64 A D H > S+ 0 0 89 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.820 89.9 50.8 -60.8 -41.9 42.2 14.4 18.2 64 65 A K H > S+ 0 0 104 -11,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.875 111.2 48.2 -63.2 -44.3 42.7 11.0 16.6 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.925 111.8 50.6 -62.0 -40.8 43.9 9.5 19.9 66 67 A R H X S+ 0 0 22 -4,-2.8 4,-2.6 -7,-0.2 5,-0.3 0.926 111.6 46.9 -62.5 -44.0 41.0 11.1 21.8 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.920 114.8 46.8 -64.3 -40.6 38.4 9.6 19.3 68 69 A H H X S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 112.8 50.1 -62.0 -48.1 40.1 6.2 19.4 69 70 A S H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.887 109.6 48.4 -64.6 -44.8 40.3 6.2 23.2 70 71 A I H X S+ 0 0 1 -4,-2.6 4,-1.4 2,-0.2 3,-0.2 0.934 112.8 50.8 -56.4 -45.7 36.6 7.2 23.8 71 72 A T H X S+ 0 0 21 -4,-1.9 4,-1.3 -5,-0.3 3,-0.2 0.897 104.2 56.0 -61.9 -38.3 35.6 4.5 21.3 72 73 A L H X S+ 0 0 48 -4,-2.4 4,-1.8 1,-0.2 3,-0.5 0.889 102.9 56.8 -59.8 -37.2 37.7 1.8 23.1 73 74 A M H X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.829 103.2 54.1 -67.5 -31.1 35.8 2.7 26.3 74 75 A Y H X S+ 0 0 11 -4,-1.4 4,-2.0 -3,-0.2 -1,-0.3 0.746 102.7 56.9 -70.0 -25.3 32.5 1.9 24.5 75 76 A A H X S+ 0 0 14 -4,-1.3 4,-2.5 -3,-0.5 -2,-0.2 0.919 109.1 46.2 -64.0 -45.0 33.9 -1.5 23.6 76 77 A L H X S+ 0 0 27 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.920 110.6 52.5 -59.3 -44.6 34.4 -2.1 27.3 77 78 A Q H X S+ 0 0 36 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.902 108.0 52.8 -53.2 -46.0 30.9 -0.8 28.0 78 79 A N H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.969 108.7 48.8 -54.6 -51.9 29.6 -3.3 25.4 79 80 A F H >< S+ 0 0 12 -4,-2.5 3,-0.6 1,-0.2 4,-0.2 0.900 111.5 48.8 -56.8 -47.6 31.4 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.6 1,-0.3 4,-0.3 0.899 109.2 53.0 -61.5 -40.6 30.0 -5.3 30.6 81 82 A D H 3< S+ 0 0 66 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.733 108.7 52.0 -66.8 -23.5 26.5 -5.0 29.2 82 83 A Q T X< S+ 0 0 20 -4,-1.4 3,-1.2 -3,-0.6 7,-0.5 0.354 76.3 100.6 -90.5 4.3 26.8 -8.5 27.7 83 84 A L T < S+ 0 0 8 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.791 75.3 62.3 -63.3 -28.4 27.9 -10.3 30.9 84 85 A D T 3 S+ 0 0 126 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.798 108.2 42.9 -60.2 -33.3 24.3 -11.6 31.4 85 86 A N X> - 0 0 58 -3,-1.2 4,-2.5 1,-0.1 3,-0.9 -0.879 63.0-165.9-126.1 106.6 24.4 -13.6 28.2 86 87 A P H 3> S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.764 89.8 56.7 -61.9 -30.8 27.5 -15.6 27.2 87 88 A D H 3> S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.858 111.9 43.5 -69.7 -34.6 26.4 -16.2 23.6 88 89 A D H <> S+ 0 0 9 -3,-0.9 4,-1.9 2,-0.2 5,-0.2 0.845 112.1 52.6 -74.4 -42.7 26.1 -12.4 23.1 89 90 A L H X S+ 0 0 4 -4,-2.5 4,-2.8 -7,-0.5 5,-0.2 0.936 109.9 50.3 -56.3 -47.5 29.4 -11.7 25.0 90 91 A V H X S+ 0 0 2 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.940 108.3 50.3 -58.8 -44.0 31.2 -14.2 22.7 91 92 A C H X S+ 0 0 6 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.885 113.6 45.3 -66.5 -29.5 29.9 -12.7 19.4 92 93 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.902 112.3 52.2 -78.0 -37.8 30.9 -9.1 20.4 93 94 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.934 109.2 49.8 -59.2 -48.4 34.3 -10.4 21.6 94 95 A E H X S+ 0 0 62 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.866 107.1 55.8 -59.3 -33.8 34.8 -12.2 18.3 95 96 A K H X S+ 0 0 32 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.957 113.0 40.4 -59.6 -50.2 33.9 -8.9 16.4 96 97 A F H X S+ 0 0 35 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.845 108.9 60.9 -70.9 -32.7 36.6 -7.0 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 3,-1.3 0.938 102.0 53.1 -57.0 -47.2 39.1 -9.9 17.9 98 99 A V H 3X S+ 0 0 46 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.899 102.2 58.7 -54.6 -41.0 38.8 -9.6 14.2 99 100 A N H 3< S+ 0 0 34 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.758 114.7 37.4 -56.8 -31.9 39.7 -5.8 14.4 100 101 A H H <<>S+ 0 0 64 -3,-1.3 5,-2.5 -4,-1.0 3,-0.4 0.747 109.8 58.7 -92.8 -33.1 43.0 -6.9 16.1 101 102 A I H ><5S+ 0 0 78 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.936 104.2 53.5 -58.6 -42.6 43.7 -10.0 14.1 102 103 A T T 3<5S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 107.6 51.5 -67.2 -20.2 43.7 -7.8 11.0 103 104 A R T 3 5S- 0 0 129 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.245 119.2-113.6 -95.5 5.8 46.3 -5.6 12.7 104 105 A K T < 5 + 0 0 165 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.808 60.1 157.7 66.9 36.2 48.5 -8.6 13.5 105 106 A I < - 0 0 22 -5,-2.5 -1,-0.2 4,-0.0 -2,-0.1 -0.858 27.3-152.0 -93.0 120.2 48.0 -8.3 17.3 106 107 A S > - 0 0 53 -2,-0.6 4,-2.6 39,-0.1 5,-0.2 -0.341 29.4-104.2 -86.1 169.4 48.6 -11.7 19.0 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.888 122.3 52.4 -58.7 -42.4 47.1 -12.9 22.3 108 109 A A H 4 S+ 0 0 78 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.894 111.2 45.5 -61.3 -42.8 50.3 -12.1 24.1 109 110 A E H >4 S+ 0 0 43 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.895 109.8 54.1 -68.4 -39.2 50.5 -8.6 22.8 110 111 A F H >< S+ 0 0 38 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.894 99.2 63.9 -57.3 -41.5 46.9 -7.9 23.5 111 112 A G G >< S+ 0 0 15 -4,-2.1 3,-2.1 1,-0.3 4,-0.3 0.592 79.3 84.6 -59.3 -14.7 47.6 -9.0 27.1 112 113 A K G X S+ 0 0 55 -3,-1.5 3,-0.6 -4,-0.3 -1,-0.3 0.666 75.9 71.7 -62.2 -15.2 49.9 -6.0 27.4 113 114 A I G <> S+ 0 0 30 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.693 77.6 78.3 -73.6 -16.0 46.8 -4.0 28.3 114 115 A N H <> S+ 0 0 47 -3,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.842 91.0 52.6 -61.6 -38.4 46.6 -5.7 31.7 115 116 A G H <> S+ 0 0 33 -3,-0.6 4,-2.3 -4,-0.3 -1,-0.2 0.974 110.8 45.3 -60.9 -52.3 49.4 -3.5 33.1 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.887 112.8 52.3 -58.1 -42.7 47.7 -0.2 32.1 117 118 A I H X S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.932 108.4 49.8 -61.8 -46.8 44.3 -1.5 33.4 118 119 A K H X S+ 0 0 90 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.887 112.6 48.8 -55.5 -43.2 45.8 -2.3 36.8 119 120 A K H X S+ 0 0 109 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 111.7 46.8 -65.4 -45.5 47.4 1.2 37.0 120 121 A V H X S+ 0 0 10 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.927 114.5 48.4 -63.0 -44.7 44.2 3.0 36.0 121 122 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-1.4 0.889 110.2 51.5 -56.1 -46.5 42.2 0.9 38.5 122 123 A A H ><5S+ 0 0 58 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.869 101.5 61.1 -64.8 -34.6 44.8 1.6 41.3 123 124 A S H 3<5S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.708 107.8 45.1 -63.4 -20.1 44.6 5.3 40.6 124 125 A K T <<5S- 0 0 82 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.038 126.7 -99.0-106.0 13.0 40.9 5.1 41.6 125 126 A N T < 5S+ 0 0 155 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.827 81.1 133.6 71.8 32.6 41.6 3.0 44.7 126 127 A F < - 0 0 32 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.975 39.9-162.4-111.9 117.5 40.6 -0.4 43.1 127 128 A G >> - 0 0 41 -2,-0.5 4,-1.9 -3,-0.1 3,-1.3 0.178 39.2 -58.7 -90.7-161.0 43.4 -2.9 44.0 128 129 A D H 3> S+ 0 0 96 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.762 124.7 64.3 -52.7 -37.4 44.6 -6.3 42.7 129 130 A K H 3> S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.904 109.5 40.2 -56.3 -44.3 41.3 -8.0 43.2 130 131 A Y H <> S+ 0 0 40 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.858 112.4 54.8 -73.7 -40.4 39.7 -5.8 40.6 131 132 A A H X S+ 0 0 9 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.884 108.6 50.2 -58.5 -39.1 42.8 -5.9 38.3 132 133 A N H X S+ 0 0 97 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.868 107.8 52.4 -66.8 -40.2 42.5 -9.8 38.4 133 134 A A H X S+ 0 0 5 -4,-1.4 4,-1.4 1,-0.2 3,-0.4 0.934 110.5 48.9 -58.9 -47.9 38.7 -9.6 37.5 134 135 A W H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.844 105.1 57.6 -60.5 -39.3 39.6 -7.4 34.5 135 136 A A H X S+ 0 0 29 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.867 102.4 55.9 -61.6 -33.6 42.4 -9.8 33.4 136 137 A K H X S+ 0 0 84 -4,-1.5 4,-0.7 -3,-0.4 -1,-0.2 0.852 108.7 46.3 -66.1 -33.6 39.7 -12.6 33.2 137 138 A L H >X S+ 0 0 3 -4,-1.4 4,-1.3 1,-0.2 3,-1.1 0.926 111.4 50.6 -73.1 -44.1 37.6 -10.5 30.8 138 139 A V H 3X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.875 103.2 62.7 -56.2 -36.6 40.7 -9.6 28.7 139 140 A A H 3X S+ 0 0 37 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.778 95.1 59.7 -61.6 -27.6 41.4 -13.4 28.6 140 141 A V H X S+ 0 0 1 -4,-1.3 3,-1.3 1,-0.2 4,-0.5 0.915 110.5 55.6 -61.2 -46.6 39.4 -11.7 24.0 142 143 A Q H >< S+ 0 0 49 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.895 100.8 58.6 -52.1 -40.9 42.8 -13.4 24.1 143 144 A A H 3< S+ 0 0 40 -4,-2.1 -141,-0.3 1,-0.3 -1,-0.3 0.715 105.6 51.6 -61.4 -25.7 41.1 -16.8 23.6 144 145 A A H << 0 0 21 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.514 360.0 360.0 -87.7 -7.6 39.7 -15.3 20.3 145 146 A L << 0 0 67 -3,-1.6 -39,-0.1 -4,-0.5 -47,-0.1 -0.298 360.0 360.0 -95.1 360.0 43.1 -14.1 18.8 146 !* 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,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 165.0 33.1 21.2 8.0 148 3 B V H > + 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 360.0 55.7 -59.2 -43.8 32.1 18.3 10.4 149 4 B Y H > S+ 0 0 107 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.926 106.1 50.6 -58.0 -43.0 32.4 20.8 13.2 150 5 B D H > S+ 0 0 106 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.897 111.0 47.1 -59.4 -47.8 29.9 23.1 11.4 151 6 B A H < S+ 0 0 24 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.878 118.3 43.7 -60.4 -42.8 27.4 20.2 11.0 152 7 B A H >< S+ 0 0 2 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.975 109.9 53.0 -63.7 -62.8 27.9 19.3 14.6 153 8 B A H 3< S+ 0 0 56 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.722 102.9 64.0 -48.3 -27.2 27.8 22.8 16.0 154 9 B Q T 3< + 0 0 78 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.768 69.6 107.6 -71.7 -31.9 24.5 23.2 14.2 155 10 B L < - 0 0 6 -3,-2.2 -3,-0.0 -4,-0.5 124,-0.0 -0.310 65.2-144.4 -53.4 119.3 22.4 20.5 16.2 156 11 B T > - 0 0 62 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.220 22.6-100.7 -90.8 174.8 20.1 22.5 18.3 157 12 B A H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 123.5 49.3 -57.7 -39.2 18.7 22.0 21.8 158 13 B D H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.3 47.9 -70.9 -40.1 15.4 20.7 20.4 159 14 B V H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.914 112.1 50.2 -63.1 -44.2 17.1 18.3 18.0 160 15 B K H X S+ 0 0 36 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.926 109.8 51.6 -60.6 -40.3 19.3 17.0 20.8 161 16 B K H X S+ 0 0 115 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.950 110.8 46.9 -59.3 -48.0 16.2 16.6 23.0 162 17 B D H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.908 112.5 50.7 -66.1 -37.2 14.4 14.5 20.3 163 18 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.939 113.9 43.6 -61.0 -47.9 17.5 12.4 19.7 164 19 B R H X S+ 0 0 73 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.921 113.2 51.9 -64.9 -43.7 17.9 11.7 23.5 165 20 B D H X S+ 0 0 38 -4,-3.1 4,-0.7 -5,-0.2 -1,-0.2 0.912 115.1 40.2 -60.2 -46.1 14.2 11.0 24.0 166 21 B S H >X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 3,-0.9 0.894 111.6 57.2 -73.7 -34.5 14.0 8.5 21.1 167 22 B W H 3X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.865 94.7 66.7 -64.0 -32.0 17.4 6.9 22.0 168 23 B K H 3< S+ 0 0 150 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.870 114.6 30.2 -52.5 -36.7 16.1 6.2 25.5 169 24 B V H X< S+ 0 0 60 -3,-0.9 3,-1.5 -4,-0.7 4,-0.4 0.916 125.3 41.1 -87.4 -56.6 13.7 3.7 23.8 170 25 B I H >< S+ 0 0 6 -4,-2.8 3,-1.0 1,-0.3 7,-0.2 0.898 115.7 51.1 -66.1 -33.9 15.5 2.5 20.7 171 26 B G T 3< S+ 0 0 6 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.3 0.494 92.2 78.8 -80.7 -2.7 18.9 2.2 22.5 172 27 B S T < S+ 0 0 93 -3,-1.5 2,-0.4 1,-0.3 -1,-0.2 0.648 99.9 36.8 -82.8 -13.4 17.3 0.2 25.3 173 28 B D S <> S+ 0 0 81 -3,-1.0 4,-2.7 -4,-0.4 5,-0.3 -0.747 70.6 167.7-133.7 80.1 17.3 -3.1 23.3 174 29 B K H > S+ 0 0 31 -2,-0.4 4,-2.3 -3,-0.4 5,-0.3 0.885 75.0 48.1 -66.1 -41.3 20.5 -2.8 21.3 175 30 B K H > S+ 0 0 64 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.964 118.1 39.6 -60.9 -51.2 20.5 -6.5 20.1 176 31 B G H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.946 123.3 39.1 -69.6 -48.2 16.9 -6.4 18.9 177 32 B N H X S+ 0 0 11 -4,-2.7 4,-2.1 -7,-0.2 -1,-0.2 0.812 114.4 53.6 -72.8 -36.0 16.9 -2.9 17.4 178 33 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.929 111.9 45.2 -62.4 -46.9 20.4 -3.2 16.0 179 34 B V H X S+ 0 0 9 -4,-2.3 4,-3.2 -5,-0.3 5,-0.3 0.919 111.7 52.2 -65.4 -39.4 19.5 -6.4 14.1 180 35 B A H X S+ 0 0 33 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.887 108.7 51.8 -60.6 -41.0 16.2 -4.9 12.9 181 36 B L H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.959 113.9 43.0 -59.3 -45.0 18.1 -1.9 11.6 182 37 B M H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.914 114.0 48.9 -71.1 -45.4 20.5 -4.1 9.6 183 38 B T H X S+ 0 0 48 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.886 111.1 51.8 -66.6 -34.0 17.9 -6.5 8.3 184 39 B T H X S+ 0 0 30 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.894 107.4 52.6 -65.0 -42.5 15.8 -3.5 7.2 185 40 B L H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 7,-0.2 0.937 112.0 45.7 -54.8 -47.1 18.8 -2.1 5.3 186 41 B F H < S+ 0 0 13 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 113.6 49.8 -68.8 -33.2 19.3 -5.5 3.5 187 42 B A H < S+ 0 0 61 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.870 120.9 32.2 -71.6 -41.1 15.6 -5.8 2.7 188 43 B D H < S+ 0 0 69 -4,-2.3 -2,-0.2 1,-0.2 2,-0.2 0.706 129.2 35.6 -88.1 -26.6 15.2 -2.3 1.3 189 44 B N >< + 0 0 34 -4,-2.6 3,-2.3 -5,-0.3 4,-0.3 -0.626 63.3 167.4-131.2 69.6 18.6 -1.8 -0.2 190 45 B Q G > + 0 0 123 -3,-0.3 3,-1.6 1,-0.3 4,-0.4 0.718 69.8 73.5 -57.3 -24.8 19.6 -5.3 -1.5 191 46 B E G 3 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.602 90.5 59.4 -66.4 -12.8 22.6 -3.7 -3.4 192 47 B T G X> S+ 0 0 9 -3,-2.3 3,-1.5 -7,-0.2 4,-0.5 0.607 78.5 88.6 -90.9 -12.6 24.4 -3.2 -0.1 193 48 B I G X4 S+ 0 0 71 -3,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.893 80.5 60.5 -52.5 -43.7 24.4 -6.9 0.8 194 49 B G G >4 S+ 0 0 58 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.728 94.2 63.7 -55.2 -30.2 27.7 -7.5 -1.0 195 50 B Y G <4 S+ 0 0 111 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.769 100.4 54.5 -65.5 -23.8 29.5 -5.0 1.3 196 51 B F G X< + 0 0 50 -3,-1.9 3,-1.9 -4,-0.5 -1,-0.2 -0.026 64.0 128.8-104.5 30.1 28.8 -7.2 4.2 197 52 B K G X + 0 0 178 -3,-1.0 3,-1.9 1,-0.3 -1,-0.2 0.786 64.5 68.2 -59.7 -30.0 30.4 -10.4 3.0 198 53 B R G 3 S+ 0 0 91 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.819 93.4 60.4 -56.2 -29.6 32.4 -10.8 6.2 199 54 B L G < S- 0 0 5 -3,-1.9 12,-0.4 1,-0.3 -1,-0.3 0.464 98.3-145.0 -80.6 -7.3 29.2 -11.4 8.1 200 55 B G < + 0 0 49 -3,-1.9 2,-1.2 -4,-0.2 -1,-0.3 -0.483 65.9 6.6 81.4-142.9 28.2 -14.5 6.0 201 56 B N > - 0 0 84 -2,-0.2 3,-1.9 1,-0.2 10,-0.1 -0.637 61.5-175.2 -86.3 98.9 24.6 -15.1 5.3 202 57 B V G > S+ 0 0 13 -2,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.578 75.5 77.0 -69.9 -9.1 22.8 -12.1 6.6 203 58 B S G 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.663 79.0 75.2 -74.0 -13.5 19.4 -13.6 5.8 204 59 B Q G X S- 0 0 108 -3,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.531 80.7-173.7 -70.8 -12.7 19.9 -15.8 9.0 205 60 B G G X + 0 0 13 -3,-1.2 3,-2.0 1,-0.3 7,-0.2 -0.199 63.4 2.6 56.8-137.5 19.1 -12.7 11.1 206 61 B M G 3 S+ 0 0 81 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.774 126.9 65.6 -54.7 -28.5 19.6 -13.1 14.9 207 62 B A G < S+ 0 0 77 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.678 80.6 88.8 -70.1 -21.5 20.9 -16.6 14.4 208 63 B N <> - 0 0 13 -3,-2.0 4,-2.5 1,-0.2 5,-0.1 -0.765 65.4-161.3 -83.1 111.7 23.9 -15.3 12.6 209 64 B D H > S+ 0 0 57 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.833 88.9 51.0 -63.6 -39.4 26.5 -14.7 15.4 210 65 B K H > S+ 0 0 95 -11,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 112.3 46.8 -67.0 -39.7 28.7 -12.4 13.2 211 66 B L H > S+ 0 0 0 -12,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.916 112.9 49.1 -65.1 -41.6 25.6 -10.3 12.2 212 67 B R H X S+ 0 0 29 -4,-2.5 4,-2.5 -7,-0.2 5,-0.3 0.947 112.3 48.2 -66.4 -43.0 24.4 -10.1 15.9 213 68 B G H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.898 114.3 46.3 -64.2 -41.5 27.9 -9.0 17.1 214 69 B H H X S+ 0 0 34 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.920 113.1 49.8 -62.1 -47.6 28.2 -6.4 14.3 215 70 B S H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.887 110.7 47.7 -65.2 -41.0 24.6 -5.1 15.0 216 71 B I H X S+ 0 0 1 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.926 113.4 50.0 -60.3 -46.5 25.1 -4.8 18.8 217 72 B T H X S+ 0 0 21 -4,-2.0 4,-1.4 -5,-0.3 3,-0.3 0.903 104.8 56.1 -62.1 -39.0 28.4 -3.0 18.2 218 73 B L H >X S+ 0 0 48 -4,-2.5 4,-1.9 1,-0.2 3,-0.5 0.924 103.2 56.4 -58.3 -39.9 26.8 -0.6 15.7 219 74 B M H 3X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.837 103.5 53.9 -63.9 -27.4 24.3 0.4 18.5 220 75 B Y H 3X S+ 0 0 12 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.3 0.741 102.4 57.2 -77.3 -24.4 27.3 1.3 20.7 221 76 B A H < S+ 0 0 13 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.936 112.0 50.6 -60.1 -48.5 27.4 9.8 19.4 226 81 B I H >< S+ 0 0 6 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.921 109.3 51.5 -56.7 -44.0 24.4 10.4 21.7 227 82 B D H 3< S+ 0 0 67 -4,-2.9 3,-0.3 1,-0.3 -1,-0.3 0.727 110.0 50.4 -65.4 -27.6 26.7 10.7 24.7 228 83 B Q T X< S+ 0 0 24 -4,-1.5 3,-2.3 -3,-0.6 7,-0.5 0.360 75.8 108.2 -90.8 4.1 28.9 13.3 22.9 229 84 B L T < S+ 0 0 2 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.761 76.1 52.2 -56.2 -33.0 26.1 15.7 21.8 230 85 B D T 3 S+ 0 0 109 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.473 106.4 55.7 -86.2 -2.5 26.9 18.5 24.2 231 86 B N X> - 0 0 57 -3,-2.3 4,-2.8 1,-0.1 3,-0.8 -0.827 62.3-172.8-130.7 90.8 30.6 18.7 23.2 232 87 B P H 3> S+ 0 0 28 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.815 86.2 59.3 -47.1 -36.4 31.0 19.2 19.5 233 88 B D H 3> S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 -5,-0.0 0.895 110.8 40.0 -65.4 -41.5 34.8 18.8 19.8 234 89 B D H <> S+ 0 0 11 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.833 113.9 54.0 -73.2 -42.3 34.3 15.3 21.2 235 90 B L H X S+ 0 0 2 -4,-2.8 4,-2.9 -7,-0.5 3,-0.2 0.929 108.2 51.3 -54.2 -48.6 31.4 14.5 18.8 236 91 B V H X S+ 0 0 19 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.908 107.8 50.1 -56.5 -45.5 33.7 15.4 15.9 237 92 B C H X S+ 0 0 5 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.824 114.1 44.3 -69.7 -28.3 36.6 13.2 16.9 238 93 B V H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.2 5,-0.2 0.898 112.8 51.8 -80.5 -36.8 34.4 10.1 17.3 239 94 B V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.932 109.5 50.7 -59.1 -44.7 32.5 10.8 14.0 240 95 B E H X S+ 0 0 84 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.871 107.8 53.4 -59.7 -37.8 35.9 11.1 12.2 241 96 B K H X S+ 0 0 32 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.959 113.2 41.7 -60.8 -51.4 37.0 7.8 13.7 242 97 B F H X S+ 0 0 33 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.827 108.7 60.7 -66.5 -34.1 33.9 6.0 12.4 243 98 B A H >X S+ 0 0 2 -4,-2.8 4,-3.2 -5,-0.2 3,-1.0 0.926 101.5 53.9 -54.0 -47.0 34.1 7.8 9.1 244 99 B V H 3X S+ 0 0 45 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.891 101.7 58.2 -56.1 -38.6 37.5 6.2 8.6 245 100 B N H 3< S+ 0 0 38 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.782 115.2 37.9 -58.7 -31.2 36.0 2.8 9.1 246 101 B H H X<>S+ 0 0 64 -3,-1.0 5,-2.2 -4,-1.0 3,-0.8 0.816 109.9 57.4 -91.7 -38.8 33.7 3.5 6.2 247 102 B I H ><5S+ 0 0 73 -4,-3.2 3,-2.0 1,-0.3 -2,-0.2 0.894 103.6 55.6 -55.5 -42.0 36.0 5.4 3.9 248 103 B T T 3<5S+ 0 0 94 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.751 107.6 49.7 -66.3 -21.6 38.3 2.4 3.9 249 104 B R T < 5S- 0 0 137 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.208 118.4-114.2 -96.0 6.7 35.4 0.3 2.7 250 105 B K T < 5 + 0 0 156 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.816 58.2 160.3 66.4 33.2 34.6 2.9 -0.1 251 106 B I < - 0 0 26 -5,-2.2 -1,-0.2 4,-0.0 -2,-0.1 -0.834 28.0-147.7 -89.8 116.7 31.3 3.9 1.4 252 107 B S > - 0 0 44 -2,-0.7 4,-2.7 39,-0.1 5,-0.2 -0.343 25.9-106.1 -76.6 165.5 30.3 7.3 0.0 253 108 B A H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.908 122.5 50.8 -57.1 -43.0 28.3 10.1 1.8 254 109 B A H 4 S+ 0 0 79 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.897 111.0 46.9 -63.8 -41.8 25.3 9.2 -0.4 255 110 B E H >4 S+ 0 0 51 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.877 107.8 56.3 -69.2 -36.6 25.5 5.5 0.4 256 111 B F H >< S+ 0 0 37 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.883 99.0 62.3 -58.4 -42.1 25.9 6.2 4.1 257 112 B G G >< S+ 0 0 15 -4,-1.7 3,-1.9 1,-0.3 4,-0.3 0.614 79.0 85.0 -59.7 -11.4 22.6 8.1 3.9 258 113 B K G X S+ 0 0 60 -3,-1.5 3,-0.8 1,-0.3 -1,-0.3 0.742 76.6 71.8 -63.0 -16.2 20.8 4.9 2.9 259 114 B I G <> S+ 0 0 31 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.690 77.3 78.5 -71.3 -20.3 20.6 4.2 6.6 260 115 B N H <> S+ 0 0 45 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.857 89.6 53.5 -58.5 -38.9 18.0 6.9 7.0 261 116 B G H <> S+ 0 0 37 -3,-0.8 4,-2.2 -4,-0.3 -1,-0.2 0.973 110.8 44.4 -60.2 -52.6 15.2 4.7 5.7 262 117 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.905 113.3 52.4 -58.0 -39.0 15.8 1.9 8.1 263 118 B I H X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.935 107.9 50.9 -65.4 -43.9 16.2 4.4 11.0 264 119 B K H X S+ 0 0 101 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 112.4 47.2 -58.0 -40.4 12.8 5.9 10.1 265 120 B K H X S+ 0 0 110 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.912 111.8 48.7 -68.9 -41.4 11.2 2.5 10.1 266 121 B V H X S+ 0 0 6 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.923 113.2 48.0 -64.8 -43.9 12.7 1.4 13.4 267 122 B L H ><>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 3,-1.8 0.916 109.7 52.7 -59.0 -45.4 11.6 4.6 15.0 268 123 B A H ><5S+ 0 0 52 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.829 98.4 64.3 -62.7 -31.0 8.1 4.3 13.6 269 124 B S H 3<5S+ 0 0 73 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.677 108.4 42.0 -63.3 -19.7 7.9 0.8 15.1 270 125 B K T <<5S- 0 0 81 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.086 125.4-104.3-111.7 17.1 8.1 2.5 18.5 271 126 B N T < 5S+ 0 0 152 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.675 73.6 141.8 63.4 26.8 5.8 5.3 17.4 272 127 B F < - 0 0 29 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.907 37.9-157.8 -92.0 121.0 8.4 8.0 16.9 273 128 B G >> - 0 0 39 -2,-0.7 4,-2.1 -3,-0.1 3,-1.0 0.188 35.3 -59.5 -87.6-160.6 7.2 9.9 13.9 274 129 B D H 3> S+ 0 0 101 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.786 125.6 61.2 -58.3 -37.9 8.7 12.2 11.2 275 130 B K H 3> S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.920 109.5 43.7 -55.2 -41.1 10.0 14.8 13.6 276 131 B Y H <> S+ 0 0 50 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.899 111.3 52.9 -73.4 -41.2 12.2 12.1 15.2 277 132 B A H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 108.5 51.7 -63.7 -36.4 13.3 10.7 11.8 278 133 B N H X S+ 0 0 95 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.868 107.7 51.7 -63.6 -40.8 14.3 14.3 10.8 279 134 B A H X S+ 0 0 2 -4,-1.7 4,-1.5 1,-0.2 3,-0.2 0.938 110.8 48.6 -62.0 -45.9 16.4 14.7 14.0 280 135 B W H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.877 106.6 55.7 -62.4 -39.0 18.2 11.4 13.2 281 136 B A H X S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.843 104.5 54.7 -61.4 -31.8 18.8 12.4 9.6 282 137 B K H X S+ 0 0 88 -4,-1.6 4,-0.9 -3,-0.2 -1,-0.2 0.891 108.9 46.9 -69.7 -31.7 20.6 15.5 11.0 283 138 B L H >X S+ 0 0 2 -4,-1.5 4,-1.2 1,-0.2 3,-0.7 0.936 111.6 50.9 -72.4 -43.1 22.9 13.3 13.1 284 139 B V H 3X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.897 103.3 61.1 -57.6 -35.1 23.6 11.1 10.1 285 140 B A H 3X S+ 0 0 40 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.797 95.3 61.1 -65.9 -26.3 24.4 14.3 8.2 286 141 B V H << S+ 0 0 0 -4,-0.9 4,-0.4 -3,-0.7 -1,-0.3 0.921 107.5 44.1 -63.4 -46.3 27.2 15.0 10.6 287 142 B V H >< S+ 0 0 2 -4,-1.2 3,-2.0 -3,-0.4 4,-0.5 0.911 108.7 57.3 -63.3 -42.5 28.9 11.7 9.6 288 143 B Q H >< S+ 0 0 51 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.847 97.2 63.1 -56.8 -32.0 28.1 12.5 5.9 289 144 B A T 3< S+ 0 0 49 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.678 103.7 49.5 -64.5 -20.0 30.1 15.7 6.3 290 145 B A T < 0 0 24 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.456 360.0 360.0 -98.2 -1.4 33.1 13.5 7.1 291 146 B L < 0 0 68 -3,-1.4 -39,-0.1 -4,-0.5 -47,-0.1 -0.566 360.0 360.0-107.2 360.0 32.7 11.3 4.0