==== 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 3UHX . 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) . 13854.0 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 56.9 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 2 0 0 0 0 2 3 1 2 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 84 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 161.3 13.6 -11.6 24.0 2 3 A V H > + 0 0 11 141,-0.3 4,-2.3 1,-0.2 5,-0.2 0.835 360.0 56.8 -65.2 -31.6 11.7 -8.4 24.4 3 4 A Y H > S+ 0 0 145 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.876 109.7 44.0 -67.5 -37.8 8.7 -10.4 25.7 4 5 A D H 4 S+ 0 0 113 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.829 113.8 50.9 -75.2 -32.9 10.8 -11.9 28.4 5 6 A A H >< S+ 0 0 18 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.862 105.0 55.7 -72.6 -35.8 12.4 -8.6 29.3 6 7 A A H >< S+ 0 0 15 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.750 99.0 63.3 -67.7 -22.5 9.0 -6.9 29.5 7 8 A A T 3< S+ 0 0 71 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.623 87.9 71.0 -76.4 -12.8 8.1 -9.5 32.1 8 9 A Q T < S+ 0 0 114 -3,-1.4 2,-1.8 -4,-0.2 -1,-0.2 0.523 70.3 98.3 -80.3 -6.7 10.8 -8.2 34.4 9 10 A L < - 0 0 15 -3,-1.1 -1,-0.1 -4,-0.2 -3,-0.0 -0.611 64.1-173.6 -84.4 81.9 8.8 -5.0 35.0 10 11 A T > - 0 0 74 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.062 39.2 -90.4 -69.7 174.7 7.4 -6.1 38.3 11 12 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.907 126.3 42.1 -54.4 -50.3 4.7 -4.2 40.4 12 13 A D H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.786 111.7 55.7 -71.5 -27.2 7.2 -2.1 42.4 13 14 A V H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.934 109.5 46.3 -69.1 -44.9 9.4 -1.4 39.4 14 15 A K H X S+ 0 0 60 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.907 113.1 51.0 -62.3 -40.3 6.4 0.0 37.5 15 16 A K H X S+ 0 0 110 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.921 109.8 47.9 -64.1 -45.0 5.5 2.0 40.6 16 17 A D H X S+ 0 0 20 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.848 109.9 54.0 -65.7 -32.7 9.0 3.5 41.0 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.937 111.2 45.3 -65.4 -45.8 9.1 4.4 37.3 18 19 A R H X S+ 0 0 75 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 111.4 51.0 -64.1 -47.1 5.8 6.3 37.7 19 20 A D H X S+ 0 0 58 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.884 115.8 41.5 -60.2 -40.3 6.8 8.1 40.9 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 3,-0.7 0.854 111.4 55.3 -76.7 -34.6 10.1 9.3 39.4 21 22 A W H 3X S+ 0 0 15 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.853 95.7 67.9 -65.5 -32.5 8.6 10.2 36.0 22 23 A K H 3< S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 114.1 29.6 -53.8 -36.5 6.1 12.4 37.8 23 24 A V H X< S+ 0 0 61 -3,-0.7 3,-1.2 -4,-0.6 4,-0.4 0.908 123.3 46.5 -88.6 -51.7 9.0 14.6 38.7 24 25 A I H >< S+ 0 0 13 -4,-2.9 3,-1.1 1,-0.3 7,-0.2 0.891 112.2 50.7 -59.7 -43.0 11.4 14.0 35.7 25 26 A G G >< S+ 0 0 8 -4,-3.1 3,-0.5 1,-0.2 -1,-0.3 0.514 89.9 81.7 -75.8 -3.7 8.7 14.4 33.1 26 27 A S G < S+ 0 0 98 -3,-1.2 2,-0.2 1,-0.3 -1,-0.2 0.723 101.9 34.0 -72.5 -22.4 7.5 17.7 34.6 27 28 A D G <> + 0 0 77 -3,-1.1 4,-2.7 -4,-0.4 5,-0.5 -0.665 68.7 165.6-133.5 76.1 10.3 19.5 32.7 28 29 A K H <> S+ 0 0 36 -3,-0.5 4,-1.4 -2,-0.2 5,-0.2 0.861 78.0 47.4 -61.3 -38.0 10.8 17.7 29.5 29 30 A K H > S+ 0 0 64 3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.968 117.8 39.4 -69.6 -52.1 12.9 20.5 27.9 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.940 123.2 38.7 -63.4 -50.3 15.2 21.0 30.9 31 32 A N H X S+ 0 0 11 -4,-2.7 4,-2.0 -7,-0.2 -1,-0.2 0.823 114.0 56.4 -71.5 -31.3 15.6 17.3 31.9 32 33 A G H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.5 -2,-0.2 0.940 110.9 42.3 -65.2 -47.0 15.8 16.2 28.2 33 34 A V H X S+ 0 0 10 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.871 112.8 54.3 -67.0 -36.4 18.7 18.5 27.4 34 35 A A H X S+ 0 0 32 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.885 107.2 52.1 -63.9 -38.2 20.4 17.6 30.7 35 36 A L H X S+ 0 0 10 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.929 113.1 43.4 -63.8 -46.5 20.1 14.0 29.7 36 37 A M H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 112.8 49.6 -67.4 -45.8 21.7 14.5 26.3 37 38 A T H X S+ 0 0 52 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.823 111.0 51.9 -64.1 -31.0 24.5 16.9 27.5 38 39 A T H X S+ 0 0 31 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.899 108.6 50.6 -71.7 -40.5 25.4 14.4 30.2 39 40 A L H X S+ 0 0 15 -4,-1.8 4,-2.4 1,-0.2 7,-0.2 0.940 112.2 46.5 -61.2 -47.4 25.6 11.5 27.7 40 41 A F H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.777 113.4 50.0 -66.8 -26.9 27.9 13.6 25.4 41 42 A A H < S+ 0 0 76 -4,-1.3 3,-0.4 -5,-0.2 -2,-0.2 0.897 118.3 35.6 -78.4 -42.5 30.1 14.6 28.4 42 43 A D H < S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.743 132.0 28.4 -84.0 -26.0 30.5 11.0 29.8 43 44 A N >< + 0 0 39 -4,-2.4 3,-2.3 -5,-0.3 4,-0.3 -0.564 65.1 170.4-136.3 71.6 30.7 9.2 26.5 44 45 A Q G > S+ 0 0 150 -3,-0.4 3,-1.4 1,-0.3 4,-0.3 0.695 71.0 73.8 -54.7 -23.0 32.1 11.6 23.9 45 46 A E G > S+ 0 0 98 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.652 86.0 64.8 -69.4 -12.6 32.4 8.8 21.4 46 47 A T G X S+ 0 0 7 -3,-2.3 3,-1.5 -7,-0.2 4,-0.4 0.629 79.0 83.5 -83.2 -13.4 28.6 8.8 21.0 47 48 A I G X S+ 0 0 68 -3,-1.4 3,-1.7 -4,-0.3 -1,-0.2 0.812 75.6 71.5 -59.0 -30.9 28.7 12.3 19.5 48 49 A G G X S+ 0 0 41 -3,-0.5 3,-0.8 -4,-0.3 -1,-0.3 0.792 91.6 57.5 -56.6 -29.6 29.5 10.8 16.1 49 50 A Y G < S+ 0 0 102 -3,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.693 103.6 54.7 -74.1 -19.3 26.0 9.5 15.8 50 51 A F G X + 0 0 43 -3,-1.7 3,-1.4 -4,-0.4 4,-0.5 -0.092 63.0 131.9-107.9 34.7 24.6 13.0 16.2 51 52 A K G X + 0 0 178 -3,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.846 68.9 61.1 -52.1 -40.3 26.5 14.8 13.4 52 53 A R G 3 S+ 0 0 95 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.773 93.2 64.8 -61.0 -29.0 23.3 16.4 12.2 53 54 A L G < S- 0 0 8 -3,-1.4 12,-0.3 1,-0.2 -1,-0.3 0.690 92.1-155.2 -70.1 -19.1 22.7 18.2 15.4 54 55 A G < + 0 0 47 -3,-1.4 2,-1.3 -4,-0.5 -1,-0.2 -0.535 60.6 14.0 82.2-146.0 25.9 20.3 15.0 55 56 A D > - 0 0 88 -2,-0.2 3,-1.3 1,-0.2 4,-0.1 -0.522 64.0-177.9 -71.2 95.3 27.8 21.8 17.9 56 57 A V G > S+ 0 0 12 -2,-1.3 3,-1.6 1,-0.2 -1,-0.2 0.660 70.8 76.4 -68.9 -17.3 26.2 19.9 20.8 57 58 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.684 79.2 74.2 -68.7 -15.5 28.3 21.9 23.4 58 59 A Q G X S- 0 0 107 -3,-1.3 3,-1.6 1,-0.2 -1,-0.3 0.678 80.1-177.8 -70.0 -17.3 25.9 24.8 22.9 59 60 A G G X + 0 0 11 -3,-1.6 3,-2.0 1,-0.3 7,-0.2 -0.306 63.7 8.8 59.4-129.8 23.3 22.9 24.8 60 61 A M G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.747 125.2 63.9 -54.8 -29.6 19.9 24.6 25.1 61 62 A A G < S+ 0 0 73 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.643 82.2 89.1 -72.6 -15.3 21.0 27.3 22.6 62 63 A N <> - 0 0 22 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.768 66.3-159.6 -86.3 108.5 21.3 24.7 19.9 63 64 A D H > S+ 0 0 85 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.875 89.7 49.9 -56.2 -42.3 17.8 24.5 18.3 64 65 A K H > S+ 0 0 90 -11,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 112.1 47.3 -66.3 -38.3 18.4 21.1 16.8 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.896 112.5 49.7 -69.6 -40.0 19.6 19.6 20.1 66 67 A R H X S+ 0 0 17 -4,-2.5 4,-2.3 -7,-0.2 5,-0.3 0.905 110.2 51.0 -65.6 -40.3 16.7 21.1 22.0 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.902 113.5 44.7 -63.5 -40.7 14.3 19.7 19.4 68 69 A H H X S+ 0 0 25 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 112.7 51.3 -68.1 -45.7 15.8 16.3 19.7 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.887 110.8 46.7 -60.3 -44.2 15.9 16.4 23.5 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.937 113.5 50.2 -64.1 -45.1 12.3 17.4 24.0 71 72 A T H >X S+ 0 0 42 -4,-1.8 3,-0.9 -5,-0.3 4,-0.6 0.869 103.6 58.7 -61.0 -39.4 11.2 14.7 21.5 72 73 A L H >X S+ 0 0 40 -4,-2.4 4,-1.3 1,-0.3 3,-1.1 0.872 100.1 58.2 -58.9 -37.4 13.2 12.0 23.3 73 74 A M H 3X S+ 0 0 2 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.3 0.756 98.9 58.1 -66.5 -24.8 11.2 12.7 26.5 74 75 A Y H < S+ 0 0 7 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.917 111.4 49.3 -56.5 -47.1 6.7 3.9 27.5 80 81 A I H >< S+ 0 0 5 -4,-2.5 3,-1.4 1,-0.2 4,-0.2 0.911 108.2 53.8 -60.4 -42.8 5.5 4.9 30.9 81 82 A D H 3< S+ 0 0 61 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.751 107.4 52.7 -64.6 -22.8 1.9 5.3 29.6 82 83 A Q T X< S+ 0 0 19 -4,-1.2 3,-1.1 -3,-0.6 7,-0.5 0.446 76.2 101.3 -93.1 -0.2 2.1 1.7 28.3 83 84 A L T < S+ 0 0 5 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.790 74.9 61.2 -55.2 -30.6 3.2 0.0 31.6 84 85 A D T 3 S+ 0 0 122 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.855 105.8 47.8 -65.7 -35.6 -0.3 -1.2 32.3 85 86 A N <> - 0 0 53 -3,-1.1 4,-2.4 1,-0.2 3,-0.5 -0.892 62.5-166.8-115.7 107.0 -0.5 -3.3 29.1 86 87 A P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.878 91.2 57.0 -54.2 -41.7 2.5 -5.6 28.3 87 88 A D H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.883 111.3 41.7 -58.8 -41.6 1.2 -6.2 24.8 88 89 A D H > S+ 0 0 8 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.856 110.9 55.4 -76.6 -35.8 1.2 -2.4 24.1 89 90 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 -7,-0.5 -2,-0.2 0.942 109.0 49.1 -61.4 -45.2 4.5 -1.8 25.7 90 91 A V H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.927 110.8 47.9 -61.2 -46.3 6.2 -4.4 23.6 91 92 A C H X S+ 0 0 8 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.823 113.1 48.7 -67.9 -27.7 4.7 -3.1 20.3 92 93 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.838 111.7 49.8 -78.2 -31.9 5.7 0.5 21.1 93 94 A V H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.921 111.3 47.7 -71.1 -43.6 9.2 -0.7 22.1 94 95 A E H X S+ 0 0 61 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.894 112.1 50.7 -63.3 -40.0 9.7 -2.6 18.8 95 96 A K H X S+ 0 0 46 -4,-1.6 4,-0.7 -5,-0.2 3,-0.3 0.935 111.0 48.9 -61.9 -46.5 8.4 0.4 16.9 96 97 A F H X S+ 0 0 45 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.871 107.3 56.3 -59.9 -39.3 10.9 2.6 18.7 97 98 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.820 89.2 76.3 -65.6 -32.8 13.7 0.2 18.0 98 99 A V H X S+ 0 0 39 -4,-1.4 4,-2.1 -3,-0.3 3,-0.3 0.912 98.2 41.5 -44.0 -61.5 13.2 0.3 14.2 99 100 A A H < S+ 0 0 35 -4,-0.7 4,-0.3 -3,-0.3 -1,-0.2 0.854 116.2 50.1 -59.4 -35.9 14.8 3.7 13.6 100 101 A H H ><>S+ 0 0 48 -4,-0.8 5,-2.3 1,-0.2 3,-0.5 0.819 108.4 52.7 -74.7 -28.0 17.6 2.9 16.1 101 102 A I H ><5S+ 0 0 82 -4,-2.7 3,-1.5 -3,-0.3 -2,-0.2 0.888 106.4 53.1 -71.4 -37.7 18.4 -0.4 14.4 102 103 A T T 3<5S+ 0 0 108 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.542 106.4 53.8 -74.1 -6.0 18.7 1.3 11.1 103 104 A R T < 5S- 0 0 122 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.349 116.3-118.9-103.2 0.3 21.2 3.7 12.7 104 105 A K T < 5 + 0 0 170 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.870 54.6 161.6 63.8 41.8 23.2 0.6 13.8 105 106 A I < - 0 0 21 -5,-2.3 -1,-0.2 4,-0.0 -2,-0.1 -0.841 27.0-148.6 -94.9 113.1 22.8 1.4 17.5 106 107 A S > - 0 0 51 -2,-0.7 4,-1.8 39,-0.1 5,-0.2 -0.250 25.8-107.7 -77.4 168.2 23.6 -1.8 19.4 107 108 A A H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.872 122.9 52.0 -62.7 -35.6 22.1 -2.8 22.8 108 109 A A H 4 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.929 110.1 47.0 -67.1 -43.6 25.5 -2.0 24.4 109 110 A E H 4 S+ 0 0 52 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.766 111.6 51.8 -68.8 -26.1 25.6 1.5 22.8 110 111 A F H >< S+ 0 0 35 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.867 99.4 64.3 -77.0 -36.3 22.0 2.1 23.9 111 112 A G G >< S+ 0 0 14 -4,-1.9 3,-1.7 1,-0.3 4,-0.3 0.604 79.6 82.2 -63.1 -12.4 22.8 1.1 27.5 112 113 A K G > S+ 0 0 59 -3,-0.5 3,-0.6 -4,-0.4 -1,-0.3 0.663 77.4 72.0 -68.0 -11.4 25.2 4.1 27.8 113 114 A I G <> S+ 0 0 25 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.659 77.9 78.7 -76.2 -15.6 22.1 6.2 28.5 114 115 A N H <> S+ 0 0 49 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.885 89.1 54.0 -59.3 -41.3 21.9 4.5 31.9 115 116 A G H <> S+ 0 0 34 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.969 109.8 45.1 -58.7 -57.0 24.6 6.7 33.3 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.872 112.7 52.4 -55.2 -40.0 23.0 10.0 32.4 117 118 A I H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.926 108.4 50.2 -64.2 -43.6 19.6 8.8 33.6 118 119 A K H X S+ 0 0 90 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.899 113.3 47.1 -60.9 -40.5 21.1 7.8 37.0 119 120 A K H X S+ 0 0 112 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.891 112.5 46.4 -70.1 -41.5 22.7 11.3 37.3 120 121 A V H < S+ 0 0 10 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.896 112.5 52.9 -66.5 -38.5 19.6 13.3 36.3 121 122 A L H ><>S+ 0 0 4 -4,-2.4 5,-1.9 -5,-0.3 3,-1.1 0.907 108.3 49.8 -61.6 -43.7 17.6 11.1 38.7 122 123 A A H ><5S+ 0 0 61 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.821 100.9 62.7 -67.2 -31.3 20.0 11.9 41.5 123 124 A S T 3<5S+ 0 0 82 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.669 106.7 46.8 -68.5 -13.7 19.8 15.7 40.8 124 125 A K T < 5S- 0 0 91 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.120 126.9 -99.9-112.0 18.1 16.2 15.4 41.7 125 126 A N T < 5S+ 0 0 153 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.847 80.0 133.7 67.2 38.8 16.8 13.3 44.9 126 127 A F < - 0 0 29 -5,-1.9 -1,-0.2 -8,-0.1 -2,-0.2 -0.974 38.1-163.7-118.7 112.4 16.0 9.9 43.4 127 128 A G >> - 0 0 42 -2,-0.5 4,-1.8 -3,-0.1 3,-1.2 0.174 40.3 -56.9 -84.8-159.6 18.6 7.3 44.3 128 129 A D H 3> S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.799 123.8 65.2 -48.0 -40.7 19.8 3.9 43.3 129 130 A K H 3> S+ 0 0 128 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.898 109.6 38.5 -53.1 -43.1 16.4 2.3 43.7 130 131 A Y H <> S+ 0 0 44 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.843 111.9 56.7 -78.4 -35.2 15.0 4.4 40.9 131 132 A A H X S+ 0 0 11 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.904 108.5 48.7 -62.8 -39.6 18.1 4.2 38.7 132 133 A N H X S+ 0 0 98 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.861 108.6 53.9 -67.8 -35.4 17.8 0.4 38.8 133 134 A A H X S+ 0 0 3 -4,-1.1 4,-1.2 -5,-0.3 3,-0.3 0.943 110.8 45.5 -64.5 -46.5 14.1 0.6 38.0 134 135 A W H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.829 106.4 59.5 -66.5 -31.0 14.9 2.7 34.9 135 136 A A H X S+ 0 0 29 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.858 102.7 54.6 -64.8 -32.7 17.7 0.4 33.9 136 137 A K H X S+ 0 0 80 -4,-1.4 4,-0.7 -3,-0.3 -1,-0.2 0.864 108.4 47.2 -68.1 -36.0 15.1 -2.4 33.8 137 138 A L H >X S+ 0 0 2 -4,-1.2 3,-1.1 2,-0.2 4,-1.1 0.920 111.1 50.9 -70.3 -43.7 13.0 -0.3 31.3 138 139 A V H 3X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.3 3,-0.3 0.861 102.2 62.8 -61.0 -33.8 16.0 0.4 29.2 139 140 A A H 3X S+ 0 0 37 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.790 96.5 58.3 -62.2 -27.5 16.7 -3.3 29.2 140 141 A V H X S+ 0 0 2 -4,-1.1 3,-1.2 -3,-0.3 4,-0.7 0.905 109.2 56.9 -68.7 -40.4 14.6 -1.6 24.6 142 143 A Q H >< S+ 0 0 52 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.862 101.1 57.1 -58.5 -36.4 18.0 -3.3 24.6 143 144 A A H 3< S+ 0 0 42 -4,-1.6 -141,-0.3 1,-0.2 -1,-0.3 0.736 106.3 50.8 -67.4 -22.1 16.3 -6.7 24.0 144 145 A A H << 0 0 22 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.568 360.0 360.0 -91.8 -11.3 14.7 -5.3 20.8 145 146 A L << 0 0 61 -3,-0.8 -39,-0.1 -4,-0.7 -47,-0.1 -0.353 360.0 360.0 -88.1 360.0 17.9 -3.9 19.4 146 !* 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 0 114 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -43.5 9.2 29.3 6.6 148 3 B V H > + 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.833 360.0 55.4 -70.2 -33.6 8.0 27.3 9.5 149 4 B Y H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.894 106.2 51.0 -66.0 -40.0 7.9 30.4 11.7 150 5 B D H 4 S+ 0 0 121 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.873 111.7 47.3 -64.8 -37.7 5.6 32.1 9.3 151 6 B A H >< S+ 0 0 19 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.879 107.9 55.8 -70.0 -38.8 3.3 29.0 9.3 152 7 B A H >< S+ 0 0 12 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.772 94.3 70.2 -64.1 -25.2 3.4 29.0 13.1 153 8 B A T 3< S+ 0 0 67 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.690 86.4 66.0 -66.2 -18.6 2.2 32.6 13.0 154 9 B Q T < S+ 0 0 108 -3,-1.6 2,-1.8 -4,-0.3 -1,-0.3 0.522 74.9 95.9 -80.6 -6.0 -1.2 31.3 11.8 155 10 B L < - 0 0 15 -3,-1.7 -1,-0.2 -4,-0.1 -3,-0.0 -0.597 64.8-177.8 -86.3 78.4 -1.7 29.6 15.2 156 11 B T > - 0 0 73 -2,-1.8 4,-2.8 1,-0.1 5,-0.3 -0.129 43.3 -94.2 -71.5 171.5 -3.7 32.4 16.8 157 12 B A H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.879 127.1 46.6 -54.8 -42.4 -5.0 32.4 20.3 158 13 B D H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 111.2 51.2 -70.2 -37.7 -8.4 31.0 19.2 159 14 B V H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 110.2 49.0 -65.5 -44.8 -6.8 28.3 17.1 160 15 B K H X S+ 0 0 44 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.879 109.7 53.5 -62.3 -37.0 -4.6 27.2 19.9 161 16 B K H X S+ 0 0 115 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.913 110.0 45.9 -64.2 -44.2 -7.6 27.1 22.2 162 17 B D H X S+ 0 0 16 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.837 112.3 52.3 -68.6 -32.2 -9.6 24.8 19.9 163 18 B L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 112.6 44.0 -68.0 -46.6 -6.5 22.6 19.4 164 19 B R H X S+ 0 0 73 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.903 113.9 49.9 -65.8 -41.4 -6.1 22.2 23.1 165 20 B D H X S+ 0 0 46 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.896 114.8 43.2 -64.9 -41.5 -9.8 21.6 23.8 166 21 B S H >X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.8 0.855 111.2 55.1 -73.6 -34.1 -10.1 19.0 21.1 167 22 B W H 3X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.834 94.2 68.8 -67.6 -30.7 -6.9 17.3 22.1 168 23 B K H 3< S+ 0 0 158 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.7 28.8 -55.6 -32.6 -8.1 16.9 25.7 169 24 B V H X< S+ 0 0 58 -3,-0.8 3,-1.5 -4,-0.6 4,-0.4 0.903 123.3 45.9 -92.1 -55.4 -10.6 14.4 24.2 170 25 B I H >< S+ 0 0 10 -4,-2.7 3,-1.1 1,-0.3 7,-0.3 0.900 113.4 51.5 -56.1 -43.1 -8.8 13.0 21.2 171 26 B G T 3< S+ 0 0 7 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.3 0.503 90.6 78.2 -75.3 -3.3 -5.6 12.5 23.2 172 27 B S T < S+ 0 0 92 -3,-1.5 -1,-0.2 1,-0.3 2,-0.2 0.624 103.2 35.0 -80.1 -14.7 -7.3 10.6 26.0 173 28 B D <> + 0 0 80 -3,-1.1 4,-2.6 -4,-0.4 5,-0.4 -0.665 69.7 165.6-137.7 77.9 -7.4 7.4 24.0 174 29 B K H > S+ 0 0 31 -3,-0.5 4,-1.5 -2,-0.2 5,-0.2 0.854 76.8 48.2 -64.6 -37.1 -4.2 7.5 22.0 175 30 B K H > S+ 0 0 62 3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.961 116.1 42.6 -69.2 -50.3 -4.4 3.8 21.0 176 31 B G H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.936 122.8 35.9 -62.5 -50.3 -8.1 4.0 19.9 177 32 B N H X S+ 0 0 9 -4,-2.6 4,-2.0 -7,-0.3 -1,-0.2 0.773 114.1 57.8 -77.1 -25.6 -7.9 7.2 18.0 178 33 B G H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.4 -2,-0.2 0.937 110.8 42.6 -68.2 -45.6 -4.4 6.7 16.7 179 34 B V H X S+ 0 0 9 -4,-2.1 4,-3.1 -5,-0.2 5,-0.3 0.895 111.7 55.4 -66.4 -39.2 -5.5 3.4 15.0 180 35 B A H X S+ 0 0 32 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.905 107.5 50.5 -59.9 -41.2 -8.7 5.1 13.8 181 36 B L H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.946 114.2 43.1 -61.5 -49.7 -6.6 7.8 12.2 182 37 B M H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.914 113.6 48.9 -65.3 -46.0 -4.4 5.3 10.4 183 38 B T H X S+ 0 0 51 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.818 112.7 50.1 -65.4 -28.3 -7.2 2.9 9.3 184 39 B T H X S+ 0 0 31 -4,-1.7 4,-2.7 -5,-0.3 5,-0.3 0.887 108.2 52.5 -75.0 -39.4 -9.1 5.9 7.9 185 40 B L H X S+ 0 0 14 -4,-2.1 4,-2.5 1,-0.2 7,-0.2 0.937 111.8 46.6 -59.5 -46.7 -6.1 7.2 6.0 186 41 B F H < S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.3 48.9 -65.8 -33.8 -5.7 3.8 4.4 187 42 B A H < S+ 0 0 77 -4,-1.4 3,-0.4 -5,-0.2 -2,-0.2 0.909 119.5 35.7 -73.9 -42.9 -9.4 3.5 3.5 188 43 B D H < S+ 0 0 77 -4,-2.7 2,-0.2 1,-0.2 -2,-0.2 0.762 132.7 27.3 -83.0 -27.5 -9.7 7.0 2.0 189 44 B N >< + 0 0 39 -4,-2.5 3,-2.1 -5,-0.3 -1,-0.2 -0.636 65.8 173.5-135.6 76.1 -6.2 7.1 0.4 190 45 B Q G > S+ 0 0 154 -3,-0.4 3,-2.0 1,-0.3 4,-0.3 0.778 73.3 71.9 -53.6 -31.1 -5.2 3.5 -0.3 191 46 B E G > S+ 0 0 94 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.765 83.0 70.0 -58.9 -26.0 -2.1 4.7 -2.2 192 47 B T G X S+ 0 0 6 -3,-2.1 3,-1.4 1,-0.3 4,-0.3 0.654 79.0 78.4 -67.7 -14.6 -0.5 5.8 1.2 193 48 B I G X S+ 0 0 63 -3,-2.0 3,-1.7 1,-0.3 -1,-0.3 0.778 75.7 76.1 -64.3 -25.0 -0.2 2.1 2.0 194 49 B G G X S+ 0 0 68 -3,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.780 91.9 53.8 -56.1 -27.1 2.9 2.0 -0.2 195 50 B Y G < S+ 0 0 104 -3,-1.4 -1,-0.3 1,-0.2 3,-0.3 0.629 105.1 55.4 -82.2 -15.2 4.8 3.8 2.5 196 51 B F G X + 0 0 45 -3,-1.7 3,-1.3 -4,-0.3 4,-0.4 -0.115 56.9 129.0-113.6 37.8 3.9 1.2 5.2 197 52 B K G X S+ 0 0 183 -3,-0.6 3,-1.6 1,-0.3 -1,-0.2 0.861 71.4 64.3 -58.7 -33.7 5.1 -2.1 3.7 198 53 B R G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.772 91.2 64.3 -61.8 -26.6 7.0 -2.8 7.0 199 54 B L G < S- 0 0 5 -3,-1.3 12,-0.3 1,-0.2 -1,-0.3 0.618 91.4-157.9 -74.8 -11.7 3.7 -2.9 8.9 200 55 B G < + 0 0 48 -3,-1.6 2,-1.8 -4,-0.4 -1,-0.2 -0.496 62.0 19.9 76.3-137.0 2.5 -5.9 7.1 201 56 B D > + 0 0 86 -2,-0.2 3,-1.8 1,-0.2 4,-0.2 -0.503 63.2 174.9 -74.8 84.2 -1.2 -6.8 6.9 202 57 B V G > + 0 0 21 -2,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.605 68.0 79.2 -66.2 -11.4 -2.6 -3.4 7.7 203 58 B S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.688 80.4 70.0 -70.3 -16.1 -6.1 -4.8 7.0 204 59 B Q G X S- 0 0 110 -3,-1.8 3,-1.4 1,-0.2 -1,-0.3 0.650 82.2-176.2 -74.8 -16.4 -5.9 -6.3 10.5 205 60 B G G X + 0 0 11 -3,-1.4 3,-2.0 1,-0.3 7,-0.3 -0.301 63.8 7.4 60.1-131.8 -6.2 -2.9 12.1 206 61 B M G 3 S+ 0 0 75 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.791 126.7 62.5 -52.4 -34.6 -5.9 -2.8 15.9 207 62 B A G < S+ 0 0 74 -3,-1.4 2,-0.9 4,-0.1 -1,-0.3 0.675 81.4 92.5 -68.7 -18.5 -5.0 -6.5 16.0 208 63 B N <> - 0 0 10 -3,-2.0 4,-2.9 1,-0.2 5,-0.2 -0.702 67.1-157.0 -80.3 108.2 -1.8 -5.8 14.0 209 64 B D H > S+ 0 0 94 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.858 90.5 49.1 -54.9 -41.4 0.9 -5.2 16.6 210 65 B K H > S+ 0 0 86 -11,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 113.4 46.2 -67.5 -40.9 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 0.916 113.8 49.1 -66.9 -42.1 0.3 -1.0 13.1 212 67 B R H X S+ 0 0 17 -4,-2.9 4,-2.6 -7,-0.3 5,-0.3 0.920 110.0 51.8 -63.2 -43.4 -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 0.907 113.2 44.3 -59.4 -43.7 2.7 0.3 17.8 214 69 B H H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 112.6 52.2 -66.8 -43.4 3.0 2.9 15.1 215 70 B S H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.908 110.4 46.2 -61.5 -46.2 -0.4 4.4 15.8 216 71 B I H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 3,-0.5 0.944 113.7 50.1 -62.0 -46.3 0.1 4.9 19.5 217 72 B T H >X S+ 0 0 42 -4,-1.8 3,-0.9 -5,-0.3 4,-0.6 0.845 102.9 60.6 -61.0 -36.0 3.6 6.4 18.8 218 73 B L H >X S+ 0 0 45 -4,-2.2 4,-1.2 1,-0.2 3,-1.2 0.892 98.7 57.9 -59.6 -39.4 2.1 8.8 16.2 219 74 B M H 3X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.5 -1,-0.2 0.720 98.4 59.5 -64.8 -23.9 -0.2 10.3 18.9 220 75 B Y H < S+ 0 0 6 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.921 111.7 50.0 -55.7 -49.0 3.2 19.6 19.3 226 81 B I H >< S+ 0 0 9 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.886 108.2 53.8 -58.9 -40.5 0.2 20.5 21.5 227 82 B D H 3< S+ 0 0 79 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.742 108.7 49.3 -67.5 -24.1 2.4 20.9 24.5 228 83 B Q T X< S+ 0 0 23 -4,-1.2 3,-1.6 -3,-0.7 7,-0.5 0.366 76.7 109.4 -96.8 4.9 4.7 23.4 22.7 229 84 B L T < S+ 0 0 6 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.784 74.6 52.8 -51.7 -35.3 2.0 25.7 21.4 230 85 B D T 3 S+ 0 0 108 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.594 104.7 56.5 -81.8 -10.5 2.8 28.6 23.6 231 86 B N X> - 0 0 59 -3,-1.6 4,-2.6 1,-0.1 3,-0.8 -0.854 64.1-168.8-124.0 95.4 6.5 28.9 22.8 232 87 B P H 3> S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.827 87.5 57.6 -49.1 -38.3 6.9 29.3 19.0 233 88 B D H 3> S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.895 111.2 40.8 -63.8 -40.2 10.7 28.7 19.3 234 89 B D H <> S+ 0 0 8 -3,-0.8 4,-2.0 2,-0.2 5,-0.2 0.887 113.8 53.0 -75.3 -39.3 10.1 25.3 20.9 235 90 B L H X S+ 0 0 2 -4,-2.6 4,-2.1 -7,-0.5 5,-0.2 0.938 109.9 49.4 -60.3 -46.0 7.3 24.4 18.6 236 91 B V H X S+ 0 0 4 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.930 110.7 48.1 -60.2 -47.2 9.4 25.2 15.5 237 92 B C H X S+ 0 0 6 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.842 113.1 47.6 -66.2 -32.4 12.4 23.1 16.7 238 93 B V H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.849 112.4 49.7 -74.8 -33.2 10.3 20.1 17.5 239 94 B V H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.901 111.1 48.6 -72.5 -41.0 8.5 20.3 14.2 240 95 B E H X S+ 0 0 83 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.884 111.7 50.2 -66.2 -36.2 11.7 20.5 12.3 241 96 B K H X S+ 0 0 43 -4,-1.6 4,-0.6 -5,-0.2 3,-0.3 0.928 110.7 50.0 -64.5 -45.0 13.1 17.5 14.2 242 97 B F H X S+ 0 0 45 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.863 107.0 55.1 -61.3 -38.5 9.9 15.6 13.4 243 98 B A H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.812 89.0 77.7 -67.5 -32.3 10.2 16.5 9.7 244 99 B V H X S+ 0 0 42 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.896 98.2 41.2 -43.7 -56.7 13.7 15.1 9.3 245 100 B A H X S+ 0 0 39 -4,-0.6 4,-0.9 -3,-0.3 -1,-0.2 0.836 115.9 50.8 -65.4 -33.7 12.7 11.4 9.2 246 101 B H H <>S+ 0 0 41 -4,-0.8 5,-1.9 -3,-0.2 -1,-0.2 0.829 107.3 52.9 -74.7 -30.6 9.7 12.2 7.0 247 102 B I H ><5S+ 0 0 81 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.909 105.5 54.9 -68.5 -40.4 11.8 14.1 4.5 248 103 B T H 3<5S+ 0 0 106 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.790 104.1 55.4 -61.8 -28.1 14.2 11.1 4.3 249 104 B R T 3<5S- 0 0 123 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.442 115.7-118.9 -83.8 -0.9 11.1 9.0 3.4 250 105 B K T < 5 + 0 0 171 -3,-1.9 2,-0.8 1,-0.2 -3,-0.2 0.885 55.8 159.9 63.9 41.6 10.4 11.4 0.5 251 106 B I < - 0 0 24 -5,-1.9 -1,-0.2 4,-0.1 -2,-0.1 -0.866 27.9-149.8 -97.3 110.1 7.0 12.4 1.9 252 107 B S > - 0 0 53 -2,-0.8 4,-2.5 39,-0.1 5,-0.2 -0.193 26.8-106.0 -74.1 168.8 6.1 15.7 0.3 253 108 B A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.877 123.3 53.9 -63.5 -35.4 3.9 18.4 1.9 254 109 B A H 4 S+ 0 0 76 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.908 108.9 48.2 -65.5 -40.9 1.1 17.4 -0.5 255 110 B E H >4 S+ 0 0 45 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.957 110.6 50.4 -62.3 -50.9 1.4 13.7 0.7 256 111 B F H >< S+ 0 0 36 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.856 99.3 66.6 -56.4 -38.7 1.4 14.7 4.3 257 112 B G G >< S+ 0 0 14 -4,-2.0 3,-1.9 1,-0.3 4,-0.4 0.657 78.8 81.3 -59.4 -16.1 -1.7 16.8 3.8 258 113 B K G X S+ 0 0 51 -3,-1.9 3,-0.5 -4,-0.4 -1,-0.3 0.691 78.2 71.9 -64.4 -14.0 -3.7 13.7 3.1 259 114 B I G <> S+ 0 0 28 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.703 78.0 78.2 -73.8 -18.4 -3.9 13.3 6.8 260 115 B N H <> S+ 0 0 50 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.887 89.5 53.2 -57.8 -43.2 -6.3 16.2 7.0 261 116 B G H <> S+ 0 0 32 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.964 110.4 46.0 -57.9 -55.0 -9.3 14.2 5.9 262 117 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.879 111.7 52.4 -56.1 -40.6 -8.8 11.4 8.5 263 118 B I H X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.939 108.5 50.7 -62.6 -45.0 -8.3 14.0 11.3 264 119 B K H X S+ 0 0 110 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.920 112.8 46.4 -58.5 -44.1 -11.5 15.7 10.3 265 120 B K H X S+ 0 0 111 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.907 112.4 48.6 -67.0 -42.6 -13.4 12.4 10.4 266 121 B V H < S+ 0 0 7 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.891 112.7 49.3 -63.9 -39.6 -11.9 11.3 13.8 267 122 B L H ><>S+ 0 0 4 -4,-2.7 5,-2.3 -5,-0.2 3,-1.5 0.927 109.3 52.2 -64.2 -44.7 -12.8 14.8 15.2 268 123 B A H ><5S+ 0 0 59 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.808 100.1 61.8 -62.2 -31.3 -16.3 14.5 13.9 269 124 B S T 3<5S+ 0 0 73 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.677 107.9 45.4 -69.2 -15.4 -16.7 11.1 15.5 270 125 B K T < 5S- 0 0 75 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.205 126.3-103.5-109.3 11.4 -16.2 12.9 18.8 271 126 B N T < 5S+ 0 0 153 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.773 74.3 141.1 71.7 31.1 -18.6 15.7 17.8 272 127 B F < - 0 0 28 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.2 -0.916 38.8-151.7-105.5 111.3 -15.9 18.3 17.0 273 128 B G >> - 0 0 42 -2,-0.7 4,-1.7 -3,-0.1 3,-1.4 0.169 35.8 -70.4 -73.3-170.3 -17.0 20.2 13.9 274 129 B D H 3> S+ 0 0 101 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.770 124.1 68.1 -52.0 -33.1 -15.4 22.1 11.0 275 130 B K H 3> S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.907 107.8 38.5 -55.1 -43.3 -14.2 24.8 13.4 276 131 B Y H <> S+ 0 0 48 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.841 111.8 57.6 -77.1 -35.1 -11.9 22.3 15.0 277 132 B A H X S+ 0 0 14 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.905 106.6 49.5 -62.5 -40.9 -11.0 20.6 11.7 278 133 B N H X S+ 0 0 101 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.859 108.6 53.3 -66.7 -35.1 -9.7 24.0 10.3 279 134 B A H X S+ 0 0 4 -4,-1.1 4,-1.3 -5,-0.3 3,-0.3 0.932 110.6 46.4 -65.2 -44.4 -7.7 24.5 13.5 280 135 B W H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.847 105.8 59.6 -67.2 -31.4 -6.0 21.1 13.1 281 136 B A H X S+ 0 0 32 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.850 103.6 53.0 -64.3 -32.3 -5.4 21.9 9.4 282 137 B K H X S+ 0 0 82 -4,-1.3 4,-0.9 -3,-0.3 -1,-0.2 0.847 108.1 48.9 -71.5 -34.4 -3.4 24.9 10.5 283 138 B L H >X S+ 0 0 4 -4,-1.3 4,-1.1 2,-0.2 3,-0.8 0.927 110.9 50.2 -69.6 -44.0 -1.2 22.8 12.8 284 139 B V H 3X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.3 3,-0.3 0.859 104.1 61.0 -60.6 -33.7 -0.7 20.3 10.0 285 140 B A H 3X S+ 0 0 38 -4,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.817 96.9 58.1 -63.8 -30.8 0.3 23.2 7.8 286 141 B V H << S+ 0 0 0 -4,-0.9 4,-0.3 -3,-0.8 -1,-0.2 0.889 109.0 45.3 -66.5 -37.0 3.2 24.1 10.1 287 142 B V H >< S+ 0 0 3 -4,-1.1 3,-1.7 -3,-0.3 4,-0.4 0.911 109.2 55.3 -70.6 -42.4 4.6 20.6 9.5 288 143 B Q H >< S+ 0 0 51 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.841 99.6 61.4 -58.6 -34.8 4.0 20.9 5.7 289 144 B A T 3< S+ 0 0 31 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.687 103.5 51.3 -66.0 -18.1 6.1 24.1 5.8 290 145 B A T < 0 0 19 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.492 360.0 360.0 -97.3 -5.5 9.0 22.0 7.0 291 146 B L < 0 0 67 -3,-1.3 -39,-0.1 -4,-0.4 -47,-0.1 -0.392 360.0 360.0 -96.4 360.0 8.7 19.3 4.3