==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-MAY-08 3D7I . COMPND 2 MOLECULE: CARBOXYMUCONOLACTONE DECARBOXYLASE FAMILY PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 291 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 77.3 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 . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 2 0 0 0 6 3 6 0 0 0 0 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 8 A G > 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 172.2 7.9 49.1 48.0 2 9 A E H > + 0 0 62 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.927 360.0 55.5 -60.4 -45.4 8.7 52.1 50.1 3 10 A G H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.930 112.6 41.2 -49.7 -51.7 5.4 53.6 48.8 4 11 A X H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.783 105.8 62.4 -75.1 -29.1 3.4 50.6 50.0 5 12 A K H X S+ 0 0 64 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.915 110.0 41.5 -61.9 -39.0 5.2 50.2 53.3 6 13 A V H X S+ 0 0 55 -4,-1.8 4,-3.4 2,-0.2 5,-0.4 0.880 111.7 54.3 -79.7 -35.7 4.0 53.7 54.3 7 14 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 8,-0.4 0.953 109.8 49.3 -57.0 -50.6 0.5 53.2 52.9 8 15 A A H < S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 117.4 40.6 -54.3 -43.3 0.3 50.0 55.0 9 16 A A H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.931 129.3 26.5 -69.8 -46.4 1.4 51.9 58.1 10 17 A A H < S+ 0 0 52 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.769 129.0 33.4 -94.3 -32.6 -0.5 55.1 57.6 11 18 A Y X + 0 0 40 -4,-3.0 4,-2.8 -5,-0.4 -1,-0.2 -0.584 62.0 167.3-130.3 70.3 -3.6 54.1 55.5 12 19 A P H > S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.833 77.0 50.2 -64.3 -35.3 -4.6 50.5 56.5 13 20 A D H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 114.0 45.5 -65.3 -44.6 -8.0 50.5 54.8 14 21 A L H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 114.0 49.7 -62.6 -43.8 -6.5 51.8 51.5 15 22 A Y H X S+ 0 0 91 -4,-2.8 4,-2.5 -8,-0.4 5,-0.2 0.934 109.2 52.8 -58.8 -45.0 -3.7 49.3 51.9 16 23 A D H X S+ 0 0 77 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.916 110.9 45.1 -58.3 -49.0 -6.2 46.5 52.5 17 24 A I H X S+ 0 0 3 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.894 110.2 55.6 -67.4 -35.2 -8.2 47.2 49.4 18 25 A I H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.929 109.3 46.1 -59.5 -46.6 -5.0 47.6 47.3 19 26 A V H X S+ 0 0 46 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.928 114.9 47.1 -61.7 -45.9 -3.9 44.1 48.3 20 27 A K H X S+ 0 0 74 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.894 111.0 52.2 -64.0 -40.4 -7.4 42.7 47.6 21 28 A L H X S+ 0 0 28 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.958 111.0 47.3 -56.6 -52.0 -7.4 44.5 44.3 22 29 A N H X S+ 0 0 60 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.922 113.3 48.2 -55.4 -47.9 -4.1 43.0 43.3 23 30 A D H < S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 115.4 43.9 -63.3 -40.7 -5.2 39.5 44.4 24 31 A T H >< S+ 0 0 36 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.888 110.7 53.8 -73.5 -40.7 -8.5 39.7 42.5 25 32 A V H 3< S+ 0 0 63 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.934 111.2 47.1 -57.0 -44.5 -7.0 41.2 39.4 26 33 A F T 3< S+ 0 0 39 -4,-2.2 2,-0.6 -5,-0.3 -1,-0.3 0.199 92.6 83.2 -89.4 17.0 -4.5 38.3 39.3 27 34 A T S < S- 0 0 109 -3,-1.5 -1,-0.2 -5,-0.1 5,-0.1 -0.813 73.0-172.3-113.2 81.2 -7.2 35.6 39.8 28 35 A G - 0 0 33 -2,-0.6 5,-0.1 3,-0.4 -2,-0.1 -0.303 32.6-131.8 -76.0 157.3 -8.3 35.4 36.2 29 36 A K S S- 0 0 167 3,-0.1 -1,-0.1 -2,-0.0 3,-0.1 0.853 99.6 -10.0 -72.3 -36.6 -11.3 33.4 35.0 30 37 A T S S+ 0 0 132 1,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.586 116.1 81.6-131.4 -49.8 -9.2 31.8 32.2 31 38 A L S S- 0 0 90 1,-0.1 -3,-0.4 2,-0.0 -1,-0.1 -0.496 73.9-126.3 -72.7 142.0 -5.8 33.4 31.9 32 39 A D > - 0 0 95 -2,-0.2 4,-2.2 -5,-0.1 5,-0.2 -0.279 24.9-103.3 -81.9 169.1 -3.1 32.3 34.3 33 40 A Y H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 118.5 56.6 -62.3 -40.7 -1.0 34.5 36.5 34 41 A K H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 108.8 46.7 -54.7 -48.9 2.1 34.3 34.3 35 42 A T H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 113.1 49.1 -59.1 -49.3 0.2 35.6 31.2 36 43 A Q H X S+ 0 0 34 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.888 109.8 51.1 -56.2 -40.2 -1.4 38.4 33.3 37 44 A K H X S+ 0 0 13 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.879 108.7 51.6 -69.5 -35.4 2.0 39.4 34.6 38 45 A L H X S+ 0 0 37 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.910 109.0 51.4 -64.4 -40.4 3.5 39.5 31.0 39 46 A I H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 107.9 52.5 -58.9 -44.6 0.5 41.7 30.1 40 47 A A H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.908 107.7 51.2 -59.7 -44.6 1.4 44.0 33.1 41 48 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.928 109.8 50.7 -55.2 -47.1 5.0 44.2 31.8 42 49 A G H X S+ 0 0 14 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.921 110.7 48.2 -60.7 -44.5 3.8 45.2 28.4 43 50 A I H >< S+ 0 0 85 -4,-2.5 3,-0.6 2,-0.2 4,-0.3 0.969 115.8 41.1 -64.8 -51.2 1.5 47.9 29.7 44 51 A V H >< S+ 0 0 8 -4,-2.4 3,-1.7 1,-0.2 5,-0.3 0.899 111.8 57.2 -67.3 -34.3 4.1 49.6 32.0 45 52 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.3 45,-0.2 0.765 97.9 62.8 -64.1 -23.6 6.8 49.2 29.3 46 53 A S T << S+ 0 0 44 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.611 104.4 58.7 -76.2 -9.8 4.6 51.2 26.9 47 54 A R S < S- 0 0 103 -3,-1.7 6,-0.0 -4,-0.3 35,-0.0 -0.437 92.6-104.6-114.7-176.6 4.9 54.2 29.3 48 55 A C S S+ 0 0 92 -2,-0.1 2,-1.1 1,-0.0 3,-0.1 0.424 76.1 110.2 -98.9 0.9 7.7 56.3 30.7 49 56 A D > - 0 0 15 -5,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.657 42.2-173.5 -84.1 101.2 8.1 55.2 34.4 50 57 A E H > S+ 0 0 40 -2,-1.1 4,-2.8 1,-0.2 5,-0.2 0.834 81.9 56.6 -58.8 -34.9 11.5 53.3 34.5 51 58 A V H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 106.4 47.7 -68.0 -43.3 10.9 52.2 38.1 52 59 A A H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.895 113.0 49.8 -61.8 -42.0 7.6 50.5 37.3 53 60 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 -9,-0.2 5,-0.3 0.975 112.6 45.8 -63.3 -51.9 9.2 48.8 34.3 54 61 A E H X S+ 0 0 33 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.919 115.1 49.0 -59.1 -41.2 12.2 47.5 36.4 55 62 A K H X S+ 0 0 57 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.905 111.1 47.2 -65.8 -44.6 9.9 46.4 39.2 56 63 A Q H X S+ 0 0 44 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.925 117.3 44.2 -62.4 -44.4 7.4 44.5 37.0 57 64 A X H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.956 114.7 47.2 -67.1 -49.7 10.3 42.8 35.2 58 65 A K H X S+ 0 0 40 -4,-3.0 4,-2.6 -5,-0.3 5,-0.2 0.917 114.5 46.6 -58.6 -45.4 12.3 42.0 38.3 59 66 A S H X S+ 0 0 32 -4,-2.4 4,-3.6 -5,-0.2 5,-0.5 0.904 111.5 52.7 -64.1 -39.7 9.3 40.6 40.2 60 67 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 6,-1.4 0.912 112.5 43.6 -58.9 -45.7 8.3 38.5 37.1 61 68 A X H X S+ 0 0 59 -4,-2.4 4,-1.6 4,-0.2 -2,-0.2 0.962 121.9 39.6 -67.1 -48.2 11.7 37.0 36.9 62 69 A K H < S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.910 123.6 36.5 -66.1 -51.6 11.9 36.3 40.7 63 70 A E H < S+ 0 0 114 -4,-3.6 -3,-0.2 -5,-0.2 -1,-0.2 0.880 134.6 19.7 -69.8 -39.8 8.3 35.3 41.3 64 71 A L H < S- 0 0 57 -4,-1.8 -3,-0.2 -5,-0.5 -2,-0.2 0.430 95.4-117.0-119.8 -6.1 7.6 33.3 38.2 65 72 A G < + 0 0 54 -4,-1.6 -4,-0.2 -5,-0.4 2,-0.2 0.824 50.6 171.0 69.4 27.1 11.0 32.4 36.7 66 73 A I - 0 0 3 -6,-1.4 -1,-0.2 -9,-0.1 2,-0.2 -0.537 24.5-135.1 -70.5 137.6 10.2 34.5 33.6 67 74 A T > - 0 0 63 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.502 17.8-112.1 -94.2 163.0 13.3 34.8 31.3 68 75 A K H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.892 119.0 55.4 -61.4 -37.0 14.8 37.8 29.5 69 76 A E H > S+ 0 0 151 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 106.6 50.8 -65.0 -34.6 13.8 36.3 26.2 70 77 A E H > S+ 0 0 50 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.921 111.6 47.3 -64.8 -41.7 10.2 36.0 27.4 71 78 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.4 0.913 107.9 55.7 -65.9 -40.8 10.3 39.6 28.4 72 79 A A H X S+ 0 0 21 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.866 101.8 57.4 -58.5 -35.1 11.8 40.6 25.1 73 80 A D H X S+ 0 0 89 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.843 106.9 49.5 -62.8 -35.5 8.8 38.9 23.3 74 81 A V H >X S+ 0 0 20 -4,-1.3 4,-1.6 -3,-0.4 3,-0.6 0.931 107.2 54.1 -63.2 -46.3 6.6 41.3 25.3 75 82 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.810 97.0 64.9 -63.5 -28.0 8.8 44.2 24.2 76 83 A R H 3X S+ 0 0 174 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.946 105.2 45.8 -54.9 -45.8 8.3 43.2 20.6 77 84 A V H S+ 0 0 2 -4,-1.6 4,-2.4 1,-0.2 5,-0.5 0.940 106.0 51.2 -58.8 -44.6 5.6 47.3 22.9 79 86 A L H X5S+ 0 0 64 -4,-2.5 4,-2.2 3,-0.2 -2,-0.2 0.942 113.0 44.1 -56.5 -51.3 7.5 48.3 19.8 80 87 A L H <5S+ 0 0 155 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 123.9 34.3 -63.8 -41.7 4.6 47.7 17.4 81 88 A T H <5S+ 0 0 99 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.689 134.5 20.9 -85.9 -21.5 1.9 49.3 19.7 82 89 A S H <5S- 0 0 49 -4,-2.4 4,-0.3 -5,-0.3 -3,-0.2 0.541 99.5-117.0-135.4 -12.9 4.0 52.1 21.1 83 90 A G X< - 0 0 28 -4,-2.2 4,-2.0 -5,-0.5 -1,-0.1 -0.171 39.7 -57.3 99.5 173.0 7.1 52.9 19.1 84 91 A X H > S+ 0 0 113 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.855 121.1 58.8 -63.9 -43.7 10.9 53.0 19.3 85 92 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.930 111.8 41.5 -55.7 -45.8 11.4 55.2 22.3 86 93 A A H > S+ 0 0 15 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.923 116.7 49.6 -65.9 -43.9 9.4 52.9 24.6 87 94 A F H X S+ 0 0 41 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.940 113.3 44.2 -59.7 -50.3 10.9 49.8 23.0 88 95 A T H X S+ 0 0 70 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.886 113.6 50.1 -67.7 -38.9 14.5 51.0 23.4 89 96 A K H X S+ 0 0 86 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.939 115.3 43.7 -60.3 -47.8 14.1 52.3 27.0 90 97 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -45,-0.2 -2,-0.2 0.861 111.5 53.0 -71.3 -35.0 12.5 49.0 28.1 91 98 A X H X S+ 0 0 39 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.905 109.6 49.1 -68.1 -39.5 15.1 46.9 26.2 92 99 A K H X S+ 0 0 67 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.929 111.2 50.2 -62.7 -43.0 17.9 48.8 28.0 93 100 A I H X S+ 0 0 30 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.943 112.4 47.7 -58.0 -47.1 16.2 48.2 31.3 94 101 A L H < S+ 0 0 5 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.904 111.1 50.0 -58.6 -47.3 15.8 44.5 30.6 95 102 A E H < S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.875 115.3 43.0 -62.0 -40.9 19.4 44.1 29.5 96 103 A K H < 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.621 360.0 360.0 -82.2 -15.4 20.8 45.8 32.6 97 104 A L < 0 0 90 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.894 360.0 360.0 -59.0 360.0 18.4 44.0 35.0 98 !* 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 99 7 B F 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.7 9.1 78.9 39.2 100 8 B G > - 0 0 49 3,-0.0 4,-1.6 1,-0.0 5,-0.1 0.153 360.0 -70.3 -86.7-161.7 11.9 76.3 38.9 101 9 B E H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.851 126.6 57.8 -62.4 -39.7 15.1 75.9 36.8 102 10 B G H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 108.0 46.5 -56.5 -50.4 13.2 75.3 33.6 103 11 B X H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.810 108.0 56.1 -65.8 -31.8 11.5 78.7 33.9 104 12 B K H X S+ 0 0 153 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.875 106.3 51.7 -66.4 -34.0 14.7 80.5 34.7 105 13 B V H X S+ 0 0 96 -4,-1.9 4,-2.9 -3,-0.2 5,-0.3 0.925 110.1 49.3 -64.1 -42.1 16.2 79.1 31.5 106 14 B V H X S+ 0 0 35 -4,-1.9 4,-3.0 1,-0.2 8,-0.4 0.925 108.8 52.2 -65.0 -44.5 13.1 80.5 29.7 107 15 B A H < S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.912 114.5 43.8 -56.0 -43.4 13.6 83.9 31.4 108 16 B A H < S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.910 124.3 32.6 -66.0 -45.2 17.2 84.0 30.2 109 17 B A H < S+ 0 0 52 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.883 132.2 18.9 -83.6 -40.2 16.5 82.8 26.6 110 18 B Y X + 0 0 152 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 -0.729 60.7 175.7-141.6 75.5 13.1 84.2 25.7 111 19 B P H > S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.868 82.3 48.6 -55.7 -41.3 12.0 87.1 28.0 112 20 B D H > S+ 0 0 129 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.903 113.4 47.4 -69.8 -38.1 8.8 87.9 26.1 113 21 B L H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 110.6 53.2 -64.5 -44.5 7.7 84.3 26.1 114 22 B Y H X S+ 0 0 61 -4,-2.8 4,-2.6 -8,-0.4 -2,-0.2 0.937 107.9 50.9 -51.6 -50.3 8.6 84.1 29.8 115 23 B D H X S+ 0 0 88 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.872 109.8 48.5 -60.2 -38.5 6.4 87.1 30.5 116 24 B I H X S+ 0 0 117 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.906 110.7 52.0 -71.1 -37.8 3.4 85.6 28.7 117 25 B I H X S+ 0 0 51 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.929 108.8 50.3 -62.9 -43.3 3.8 82.3 30.5 118 26 B V H X S+ 0 0 30 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.943 111.6 47.7 -60.9 -46.2 3.8 84.2 33.9 119 27 B K H X S+ 0 0 76 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.917 112.2 50.3 -60.0 -42.7 0.6 86.0 32.9 120 28 B L H X S+ 0 0 69 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.942 111.9 48.0 -59.0 -48.3 -1.0 82.7 31.8 121 29 B N H X S+ 0 0 23 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.938 112.1 48.0 -57.6 -49.7 0.0 81.1 35.1 122 30 B D H < S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.1 45.5 -64.6 -37.7 -1.3 84.0 37.2 123 31 B T H >< S+ 0 0 85 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.915 109.3 54.5 -69.3 -46.1 -4.6 84.0 35.3 124 32 B V H 3< S+ 0 0 4 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.918 110.4 48.1 -52.0 -42.2 -5.0 80.2 35.4 125 33 B F T 3< S+ 0 0 17 -4,-2.2 2,-0.7 -5,-0.2 -1,-0.3 0.231 90.0 85.4 -93.1 15.8 -4.6 80.4 39.2 126 34 B T S < S- 0 0 91 -3,-1.8 -1,-0.2 -5,-0.1 5,-0.1 -0.782 71.7-170.7-107.3 80.3 -7.1 83.2 39.6 127 35 B G - 0 0 21 -2,-0.7 5,-0.1 3,-0.3 139,-0.1 -0.284 28.4-135.9 -68.8 154.9 -10.2 81.0 39.8 128 36 B K S S- 0 0 141 137,-0.3 -1,-0.1 3,-0.1 138,-0.1 0.832 98.2 -7.5 -78.5 -32.7 -13.7 82.4 39.6 129 37 B T S S+ 0 0 71 136,-0.3 2,-0.1 1,-0.1 137,-0.1 0.635 118.0 78.4-127.4 -48.3 -14.9 80.1 42.4 130 38 B L S S- 0 0 17 135,-0.2 -3,-0.3 1,-0.1 -1,-0.1 -0.438 76.5-126.9 -70.7 140.4 -12.2 77.6 43.4 131 39 B D > - 0 0 96 -2,-0.1 4,-2.0 -5,-0.1 5,-0.2 -0.301 24.8-101.7 -84.5 171.2 -9.4 78.9 45.6 132 40 B Y H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 119.6 55.8 -62.2 -42.3 -5.7 78.7 44.8 133 41 B K H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 108.3 48.5 -54.0 -47.9 -5.1 75.8 47.3 134 42 B T H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 111.9 49.1 -60.8 -44.7 -7.8 73.7 45.5 135 43 B Q H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.870 109.8 50.9 -62.9 -39.7 -6.3 74.4 42.1 136 44 B K H X S+ 0 0 20 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.867 108.1 53.0 -66.4 -36.4 -2.8 73.5 43.3 137 45 B L H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.906 109.5 49.5 -61.6 -41.2 -4.2 70.2 44.7 138 46 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.920 108.3 52.9 -61.1 -44.1 -5.7 69.6 41.2 139 47 B A H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.910 107.9 51.1 -60.2 -42.8 -2.3 70.4 39.6 140 48 B I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.938 109.8 51.0 -58.1 -48.4 -0.6 67.8 41.9 141 49 B G H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.907 111.7 46.2 -54.2 -46.9 -3.2 65.2 40.9 142 50 B I H >< S+ 0 0 0 -4,-2.4 3,-0.5 2,-0.2 4,-0.4 0.941 115.9 43.6 -65.1 -50.1 -2.6 65.8 37.2 143 51 B V H >< S+ 0 0 12 -4,-2.6 3,-1.4 1,-0.2 5,-0.3 0.897 112.4 53.5 -63.5 -39.8 1.2 65.8 37.4 144 52 B A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.733 97.9 65.2 -68.3 -20.7 1.2 62.8 39.6 145 53 B S T << S+ 0 0 18 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.638 104.0 56.3 -74.1 -15.0 -1.0 60.9 37.1 146 54 B R S < S- 0 0 96 -3,-1.4 6,-0.0 -4,-0.4 35,-0.0 -0.353 95.1-104.8-109.3-173.5 2.0 61.1 34.7 147 55 B C S S+ 0 0 44 -2,-0.1 2,-1.8 1,-0.1 -97,-0.1 0.526 73.7 117.0 -99.7 -4.5 5.6 59.9 34.9 148 56 B D > - 0 0 97 -5,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.470 37.5-178.9 -75.0 90.2 7.6 63.1 35.4 149 57 B E H > S+ 0 0 53 -2,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.832 82.1 50.4 -51.0 -42.3 9.1 62.4 38.9 150 58 B V H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 110.1 49.7 -68.7 -42.4 10.8 65.8 39.0 151 59 B A H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.890 112.4 48.8 -59.3 -41.4 7.6 67.6 38.1 152 60 B I H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.962 111.5 47.6 -65.1 -52.1 5.8 65.6 40.8 153 61 B E H X S+ 0 0 43 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.908 114.5 48.3 -54.2 -43.1 8.5 66.4 43.5 154 62 B K H X S+ 0 0 58 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.894 110.9 48.3 -68.5 -42.7 8.4 70.1 42.5 155 63 B Q H X S+ 0 0 38 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.919 116.0 45.1 -62.1 -43.7 4.6 70.5 42.5 156 64 B X H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.938 114.1 48.1 -65.9 -46.6 4.5 68.9 45.9 157 65 B K H X S+ 0 0 50 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.936 113.5 46.8 -60.0 -49.9 7.4 70.9 47.4 158 66 B S H X>S+ 0 0 49 -4,-2.5 4,-3.2 1,-0.2 5,-0.6 0.895 111.2 52.0 -61.1 -43.0 6.0 74.2 46.1 159 67 B A H X5S+ 0 0 0 -4,-2.1 6,-1.8 -5,-0.3 4,-1.3 0.902 113.7 43.1 -58.8 -43.2 2.5 73.4 47.4 160 68 B X H X5S+ 0 0 59 -4,-2.1 4,-0.9 4,-0.2 -2,-0.2 0.932 122.0 40.0 -70.8 -42.3 3.8 72.6 50.9 161 69 B K H <5S+ 0 0 87 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.965 125.7 31.9 -72.2 -56.0 6.2 75.6 50.9 162 70 B E H <5S+ 0 0 78 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.911 134.7 23.0 -71.8 -45.5 4.1 78.3 49.3 163 71 B L H < - 0 0 63 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.534 14.2-118.2 -91.4 162.7 0.1 69.0 54.2 167 75 B K H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 118.0 57.3 -63.9 -33.5 1.4 65.6 53.4 168 76 B E H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 58,-0.3 0.893 106.6 47.7 -62.7 -40.8 -2.0 64.2 54.5 169 77 B E H > S+ 0 0 17 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.920 112.0 49.8 -64.9 -43.6 -3.8 66.5 52.0 170 78 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.924 106.2 56.0 -60.4 -41.1 -1.4 65.3 49.3 171 79 B A H X S+ 0 0 4 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.900 104.4 53.4 -60.0 -37.4 -2.0 61.7 50.2 172 80 B D H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.854 107.0 51.7 -65.9 -34.5 -5.8 62.3 49.7 173 81 B V H X S+ 0 0 0 -4,-1.5 4,-1.8 -3,-0.3 3,-0.5 0.931 106.9 54.4 -60.6 -43.0 -4.9 63.7 46.2 174 82 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.810 97.0 63.9 -68.0 -26.7 -3.0 60.5 45.6 175 83 B R H X S+ 0 0 14 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.946 105.8 46.1 -58.6 -42.6 -6.0 58.3 46.5 176 84 B V H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.5 5,-0.3 0.899 107.4 56.8 -67.7 -40.3 -7.7 59.9 43.4 177 85 B V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.5 0.915 105.8 52.1 -53.8 -45.3 -4.5 59.3 41.3 178 86 B L H X S+ 0 0 7 -4,-2.5 4,-2.2 3,-0.2 -2,-0.2 0.950 112.6 43.8 -56.3 -50.1 -4.8 55.5 42.2 179 87 B L H < S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 123.6 35.4 -65.4 -39.5 -8.4 55.3 41.1 180 88 B T H < S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.690 134.1 20.4 -83.1 -22.8 -7.9 57.4 37.9 181 89 B S H < S- 0 0 22 -4,-2.2 4,-0.3 -5,-0.3 -3,-0.2 0.523 99.3-116.8-136.0 -15.5 -4.5 56.2 36.9 182 90 B G X - 0 0 28 -4,-2.2 4,-1.7 -5,-0.5 -1,-0.2 -0.195 41.5 -55.4 101.2 173.7 -3.5 52.9 38.5 183 91 B X H > S+ 0 0 56 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.877 121.3 58.9 -60.3 -48.3 -0.9 51.4 40.9 184 92 B P H > S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.934 110.8 41.2 -54.6 -46.1 2.3 52.6 39.1 185 93 B A H > S+ 0 0 14 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.912 116.8 50.0 -66.6 -43.2 1.5 56.3 39.3 186 94 B F H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.938 113.0 44.1 -58.9 -50.8 0.1 55.9 42.9 187 95 B T H X S+ 0 0 43 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.908 113.4 50.7 -70.0 -38.0 3.1 54.1 44.3 188 96 B K H X S+ 0 0 31 -4,-2.2 4,-1.8 -5,-0.4 -1,-0.2 0.941 114.5 44.6 -60.1 -48.5 5.7 56.4 42.5 189 97 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.884 110.6 53.2 -65.4 -40.2 3.9 59.5 43.9 190 98 B X H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.899 108.7 50.6 -63.2 -41.8 3.5 58.0 47.4 191 99 B K H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.886 110.7 48.5 -62.4 -41.6 7.3 57.3 47.5 192 100 B I H X S+ 0 0 20 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.926 111.9 49.7 -62.2 -45.6 8.1 60.9 46.5 193 101 B L H >< S+ 0 0 5 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.901 109.1 52.6 -59.9 -43.8 5.7 62.2 49.1 194 102 B E H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.3 48.6 -59.5 -41.4 7.3 60.1 51.8 195 103 B K H 3< 0 0 107 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.610 360.0 360.0 -79.2 -11.4 10.8 61.3 51.0 196 104 B L << 0 0 83 -4,-0.9 -29,-0.0 -3,-0.7 -3,-0.0 -0.360 360.0 360.0 -72.7 360.0 9.7 65.0 51.0 197 !* 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 0.0 198 9 C E 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 -24.4 49.8 32.9 199 10 C G > + 0 0 46 0, 0.0 4,-1.0 0, 0.0 5,-0.0 -0.498 360.0 49.1 115.4 -55.9 -21.0 48.4 31.8 200 11 C X H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.1 5,-0.2 0.696 100.2 69.2 -75.0 -23.3 -20.3 48.0 35.4 201 12 C K H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.899 100.8 44.8 -61.0 -38.7 -23.7 46.3 35.5 202 13 C V H > S+ 0 0 95 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.896 109.2 55.4 -70.6 -41.5 -22.2 43.4 33.4 203 14 C V H X S+ 0 0 19 -4,-1.0 4,-3.0 1,-0.2 8,-0.4 0.934 105.4 54.3 -57.0 -46.0 -19.1 43.3 35.6 204 15 C A H < S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.1 38.9 -53.5 -44.5 -21.5 42.9 38.6 205 16 C A H < S+ 0 0 89 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.887 127.3 31.3 -73.1 -41.8 -23.2 39.9 37.0 206 17 C A H < S+ 0 0 41 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.814 131.4 26.7 -88.5 -36.2 -20.2 38.2 35.4 207 18 C Y X + 0 0 113 -4,-3.0 4,-2.7 -5,-0.4 -1,-0.2 -0.622 65.3 168.1-133.5 67.2 -17.3 39.0 37.8 208 19 C P H > S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.834 77.2 49.3 -59.3 -39.0 -18.8 39.6 41.3 209 20 C D H > S+ 0 0 117 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 113.2 47.2 -65.2 -46.9 -15.5 39.6 43.2 210 21 C L H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 112.9 50.1 -56.7 -47.0 -14.0 42.1 40.8 211 22 C Y H X S+ 0 0 78 -4,-2.7 4,-2.4 -8,-0.4 -2,-0.2 0.941 109.4 51.2 -57.6 -46.7 -17.1 44.2 41.0 212 23 C D H X S+ 0 0 86 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.897 110.9 47.4 -61.4 -41.5 -17.1 44.1 44.8 213 24 C I H X S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.879 109.6 53.8 -71.4 -33.5 -13.4 45.2 45.0 214 25 C I H X S+ 0 0 53 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.926 108.9 49.0 -63.7 -42.8 -14.0 48.0 42.5 215 26 C V H X S+ 0 0 48 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.953 114.4 45.6 -60.1 -47.2 -16.9 49.4 44.7 216 27 C K H X S+ 0 0 105 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.887 110.7 52.5 -63.2 -40.6 -14.7 49.2 47.7 217 28 C L H X S+ 0 0 17 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.939 112.4 46.6 -58.3 -48.4 -11.7 50.8 45.9 218 29 C N H X S+ 0 0 53 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.944 114.6 46.0 -57.7 -50.3 -14.0 53.7 44.9 219 30 C D H < S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.7 45.5 -64.7 -40.0 -15.5 54.1 48.3 220 31 C T H >< S+ 0 0 29 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.916 110.6 52.9 -71.6 -44.1 -12.2 54.0 50.1 221 32 C V H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.922 111.3 47.5 -52.7 -45.4 -10.5 56.3 47.7 222 33 C F T 3< S+ 0 0 19 -4,-2.1 2,-0.7 -5,-0.2 -1,-0.3 0.195 89.9 86.9 -91.4 13.1 -13.2 58.9 48.2 223 34 C T S < S- 0 0 93 -3,-1.7 -1,-0.2 -5,-0.1 5,-0.1 -0.756 72.4-169.6-104.5 80.5 -13.1 58.6 52.0 224 35 C G - 0 0 24 -2,-0.7 5,-0.1 3,-0.3 -2,-0.1 -0.292 29.0-136.8 -70.7 154.1 -10.4 61.2 52.4 225 36 C K S S- 0 0 61 -57,-0.3 -1,-0.1 3,-0.1 -56,-0.1 0.817 97.4 -10.4 -75.8 -33.2 -8.5 61.8 55.7 226 37 C T S S+ 0 0 66 -58,-0.3 2,-0.2 1,-0.1 -57,-0.1 0.581 117.4 78.4-137.3 -40.8 -8.7 65.5 55.3 227 38 C L S S- 0 0 16 -59,-0.2 -3,-0.3 -58,-0.1 -1,-0.1 -0.560 76.7-122.8 -77.0 144.6 -9.9 66.6 51.8 228 39 C D > - 0 0 94 -2,-0.2 4,-2.2 -5,-0.1 5,-0.2 -0.247 23.3-103.2 -83.3 171.1 -13.7 66.3 51.2 229 40 C Y H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 118.9 54.9 -60.8 -43.5 -15.4 64.4 48.5 230 41 C K H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 109.1 47.8 -58.7 -46.7 -16.2 67.4 46.4 231 42 C T H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 112.0 49.9 -59.9 -44.9 -12.5 68.4 46.3 232 43 C Q H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.889 109.8 50.7 -61.0 -38.1 -11.5 64.8 45.4 233 44 C K H X S+ 0 0 24 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.875 107.9 52.5 -70.5 -35.6 -14.1 64.8 42.6 234 45 C L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.902 109.3 50.1 -63.7 -41.9 -12.7 68.1 41.2 235 46 C I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 108.8 52.3 -57.3 -47.4 -9.2 66.5 41.2 236 47 C A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.909 107.9 51.6 -57.3 -43.6 -10.7 63.5 39.3 237 48 C I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.927 109.7 50.3 -59.8 -44.9 -12.2 65.8 36.7 238 49 C G H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.917 111.2 47.7 -60.3 -42.1 -8.8 67.5 36.2 239 50 C I H < S+ 0 0 0 -4,-2.4 3,-0.4 2,-0.2 4,-0.3 0.958 115.1 43.8 -66.1 -48.5 -7.0 64.2 35.8 240 51 C V H >< S+ 0 0 10 -4,-2.5 3,-1.5 1,-0.2 5,-0.3 0.906 112.4 53.4 -64.6 -41.5 -9.5 62.8 33.2 241 52 C A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.765 97.0 66.3 -66.3 -23.2 -9.7 66.1 31.3 242 53 C S T 3< S+ 0 0 17 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.617 101.8 61.1 -72.9 -12.7 -5.9 66.2 31.0 243 54 C R S < S- 0 0 90 -3,-1.5 35,-0.0 -4,-0.3 6,-0.0 -0.369 93.9-107.2-104.1-174.0 -6.3 63.1 28.8 244 55 C C S S+ 0 0 119 -2,-0.1 2,-1.5 1,-0.1 3,-0.1 0.473 75.6 113.5 -99.8 -1.3 -8.0 62.4 25.4 245 56 C D > - 0 0 90 -5,-0.3 4,-1.9 1,-0.2 3,-0.2 -0.534 40.5-176.0 -79.5 93.2 -11.0 60.3 26.5 246 57 C E H > S+ 0 0 103 -2,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.774 81.3 53.6 -54.3 -32.2 -14.0 62.6 25.7 247 58 C V H > S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.896 107.3 48.6 -74.4 -43.5 -16.5 60.1 27.2 248 59 C A H > S+ 0 0 25 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 114.8 48.3 -58.9 -38.0 -14.7 59.8 30.5 249 60 C I H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.973 113.8 43.7 -70.6 -51.4 -14.6 63.6 30.6 250 61 C E H X S+ 0 0 41 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.910 117.6 46.6 -59.2 -44.6 -18.3 64.2 29.7 251 62 C K H X S+ 0 0 56 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.934 112.1 50.3 -64.1 -46.3 -19.3 61.4 32.2 252 63 C Q H X S+ 0 0 36 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.903 114.8 43.9 -56.6 -48.1 -17.1 62.7 34.9 253 64 C X H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 114.4 49.2 -64.4 -48.5 -18.4 66.2 34.5 254 65 C K H X S+ 0 0 55 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.934 112.8 46.5 -58.0 -50.3 -22.1 65.1 34.2 255 66 C S H X>S+ 0 0 50 -4,-2.9 4,-3.7 1,-0.2 5,-0.6 0.916 112.1 52.2 -58.1 -43.9 -21.9 62.9 37.3 256 67 C A H X5S+ 0 0 0 -4,-1.9 6,-1.8 -5,-0.3 4,-1.4 0.890 112.6 43.9 -60.9 -41.9 -20.2 65.7 39.3 257 68 C X H X5S+ 0 0 56 -4,-2.2 4,-1.0 4,-0.2 -1,-0.2 0.930 122.4 38.3 -69.9 -42.5 -22.8 68.2 38.4 258 69 C K H <5S+ 0 0 90 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.899 124.8 35.4 -75.5 -48.0 -25.7 65.8 39.1 259 70 C E H <5S+ 0 0 77 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.888 134.4 20.7 -77.5 -40.9 -24.4 63.9 42.2 260 71 C L H < - 0 0 63 -2,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.506 13.4-115.6 -93.7 160.9 -21.1 74.0 39.0 264 75 C K H > S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.852 118.0 55.4 -60.4 -35.2 -19.9 74.7 35.5 265 76 C E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -137,-0.3 0.904 107.0 50.0 -65.7 -40.4 -17.8 77.6 36.8 266 77 C E H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.918 110.8 49.6 -59.1 -44.3 -16.1 75.2 39.2 267 78 C I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.952 108.1 53.0 -62.4 -44.3 -15.4 72.8 36.3 268 79 C A H X S+ 0 0 25 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.897 104.7 56.0 -57.7 -37.3 -14.0 75.7 34.3 269 80 C D H X S+ 0 0 1 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.883 107.9 48.7 -62.3 -37.1 -11.7 76.5 37.2 270 81 C V H >X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.3 3,-0.7 0.918 106.8 56.0 -62.4 -45.9 -10.4 72.9 37.0 271 82 C L H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.825 96.5 64.4 -62.9 -31.2 -9.9 73.3 33.3 272 83 C R H 3X S+ 0 0 52 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.928 104.6 46.4 -50.6 -46.1 -7.7 76.3 33.8 273 84 C V H S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.5 0.916 104.9 53.4 -56.2 -45.2 -5.6 71.5 32.7 275 86 C L H X5S+ 0 0 29 -4,-2.6 4,-2.3 3,-0.2 -2,-0.2 0.962 112.8 42.4 -55.1 -53.1 -4.5 74.2 30.3 276 87 C L H <5S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.892 123.4 36.8 -62.5 -40.2 -1.3 74.9 32.3 277 88 C T H <5S+ 0 0 27 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.699 133.9 19.5 -82.5 -22.4 -0.4 71.3 33.0 278 89 C S H <5S- 0 0 34 -4,-2.3 4,-0.3 -5,-0.2 -3,-0.2 0.526 100.4-118.5-136.0 -14.4 -1.5 69.7 29.7 279 90 C G X< - 0 0 27 -4,-2.3 4,-1.7 -5,-0.5 -1,-0.2 -0.180 40.6 -53.0 96.5 177.5 -1.8 72.3 26.9 280 91 C X H > S+ 0 0 115 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.877 120.4 58.2 -64.6 -45.3 -4.2 73.8 24.5 281 92 C P H > S+ 0 0 100 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.923 110.8 42.6 -54.4 -48.2 -5.7 70.6 22.9 282 93 C A H > S+ 0 0 15 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.894 116.7 49.1 -62.5 -43.5 -6.9 69.2 26.3 283 94 C F H X S+ 0 0 41 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.936 113.4 43.2 -62.9 -50.4 -8.2 72.5 27.4 284 95 C T H X S+ 0 0 65 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.874 113.7 52.0 -68.8 -35.0 -10.2 73.5 24.3 285 96 C K H X S+ 0 0 36 -4,-2.0 4,-2.0 -5,-0.4 -1,-0.2 0.921 112.8 45.3 -61.8 -47.6 -11.6 69.9 24.0 286 97 C A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.864 110.9 52.6 -68.9 -35.9 -12.8 70.0 27.6 287 98 C X H X S+ 0 0 80 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.902 108.6 50.9 -65.0 -41.6 -14.2 73.5 27.3 288 99 C K H X S+ 0 0 98 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.912 111.8 47.9 -59.4 -44.5 -16.2 72.4 24.2 289 100 C I H >X S+ 0 0 18 -4,-2.0 3,-0.8 1,-0.2 4,-0.6 0.941 110.8 51.0 -60.5 -47.8 -17.5 69.4 26.3 290 101 C L H >< S+ 0 0 9 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.896 103.8 58.3 -58.0 -43.5 -18.4 71.7 29.2 291 102 C E H 3< S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.786 103.5 52.8 -59.3 -31.5 -20.3 74.1 26.9 292 103 C K H << 0 0 94 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.550 360.0 360.0 -81.4 -10.1 -22.7 71.3 25.8 293 104 C L << 0 0 75 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.484 360.0 360.0 -86.7 360.0 -23.6 70.3 29.4