==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 19-SEP-12 4H6H . COMPND 2 MOLECULE: FIBRINOGEN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR B.L.GARCIA,B.V.GEISBRECHT . 319 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 82.1 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 . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 4 0 0 0 0 0 0 0 0 2 2 0 0 4 0 4 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 7 A L > 0 0 173 0, 0.0 4,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.9 15.4 -4.8 -17.0 2 8 A T T 4 + 0 0 114 2,-0.2 4,-0.3 1,-0.2 0, 0.0 0.644 360.0 47.2 -88.8 -15.4 16.6 -1.2 -16.6 3 9 A E T >> S+ 0 0 126 2,-0.2 4,-3.6 3,-0.1 3,-0.8 0.795 103.5 64.8 -87.3 -32.2 13.2 0.5 -16.1 4 10 A S H 3> S+ 0 0 52 1,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.932 99.7 52.7 -45.1 -50.3 12.4 -2.3 -13.5 5 11 A Q H 3X S+ 0 0 136 -4,-1.3 4,-1.0 1,-0.2 -1,-0.3 0.809 113.4 44.2 -61.0 -27.0 15.2 -0.8 -11.5 6 12 A F H <> S+ 0 0 108 -3,-0.8 4,-2.0 -4,-0.3 -2,-0.2 0.929 107.5 56.2 -80.2 -50.4 13.5 2.6 -11.9 7 13 A H H X S+ 0 0 64 -4,-3.6 4,-2.1 1,-0.2 5,-0.3 0.903 104.7 55.1 -45.0 -50.0 10.0 1.4 -11.2 8 14 A D H X S+ 0 0 48 -4,-2.2 4,-2.0 1,-0.3 5,-0.2 0.939 107.1 48.0 -53.2 -54.2 11.2 0.0 -7.8 9 15 A K H X S+ 0 0 160 -4,-1.0 4,-1.8 -5,-0.2 -1,-0.3 0.869 111.6 56.7 -51.7 -34.3 12.6 3.4 -6.7 10 16 A R H X S+ 0 0 79 -4,-2.0 4,-2.5 -3,-0.2 -2,-0.2 0.943 108.6 37.8 -70.2 -54.2 9.2 4.8 -7.9 11 17 A I H X S+ 0 0 4 -4,-2.1 4,-3.5 2,-0.2 5,-0.3 0.873 113.8 58.5 -68.0 -32.7 6.6 2.9 -5.8 12 18 A A H X S+ 0 0 6 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.943 110.9 42.0 -60.4 -45.3 8.9 2.9 -2.8 13 19 A E H X S+ 0 0 107 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.944 118.0 45.6 -62.8 -48.9 9.0 6.7 -2.9 14 20 A E H X S+ 0 0 64 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.829 113.8 49.6 -67.0 -34.0 5.2 6.9 -3.6 15 21 A L H X S+ 0 0 0 -4,-3.5 4,-2.8 2,-0.2 3,-0.3 0.940 109.5 49.9 -71.1 -47.0 4.4 4.4 -0.9 16 22 A R H X S+ 0 0 109 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.909 107.0 57.0 -56.3 -42.4 6.5 6.1 1.8 17 23 A T H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 110.6 43.1 -57.4 -39.7 4.8 9.3 0.9 18 24 A L H >< S+ 0 0 20 -4,-1.3 3,-1.7 -3,-0.3 -2,-0.2 0.872 109.2 57.1 -73.2 -40.0 1.5 7.7 1.7 19 25 A L H >< S+ 0 0 17 -4,-2.8 3,-1.9 1,-0.3 4,-0.3 0.897 100.0 61.0 -52.0 -42.8 2.8 6.0 4.8 20 26 A N T 3< S+ 0 0 84 -4,-2.5 4,-0.3 1,-0.3 -1,-0.3 0.495 99.6 55.1 -66.6 -6.4 3.7 9.5 6.0 21 27 A K T <> S+ 0 0 29 -3,-1.7 4,-1.7 -5,-0.1 -1,-0.3 0.304 81.4 93.5-103.7 6.4 0.1 10.6 5.9 22 28 A S H <> S+ 0 0 2 -3,-1.9 4,-2.2 2,-0.2 -2,-0.1 0.838 82.4 48.8 -76.1 -32.5 -1.1 7.8 8.1 23 29 A N H > S+ 0 0 58 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.971 109.2 53.2 -67.3 -53.0 -0.9 9.6 11.5 24 30 A V H > S+ 0 0 0 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.904 114.8 43.1 -41.8 -48.3 -2.8 12.6 10.1 25 31 A Y H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.844 109.2 55.2 -75.2 -33.5 -5.5 10.1 9.0 26 32 A A H < S+ 0 0 12 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.935 108.0 51.7 -63.0 -43.5 -5.5 8.1 12.2 27 33 A L H >< S+ 0 0 91 -4,-2.9 3,-1.8 1,-0.2 4,-0.5 0.955 110.2 47.5 -53.1 -52.8 -6.2 11.3 14.1 28 34 A A H 3< S+ 0 0 3 -4,-1.8 3,-0.5 1,-0.3 4,-0.4 0.855 113.2 48.7 -61.1 -36.1 -9.1 12.2 11.8 29 35 A A T 3< S+ 0 0 1 -4,-2.1 8,-0.4 1,-0.2 -1,-0.3 0.309 83.5 95.7 -86.7 6.7 -10.5 8.7 12.2 30 36 A G S < S+ 0 0 45 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.950 89.8 42.8 -58.9 -48.2 -10.2 8.8 16.0 31 37 A S S S+ 0 0 104 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.879 104.5 80.2 -63.0 -41.5 -13.8 9.8 16.2 32 38 A L S S- 0 0 36 -4,-0.4 5,-0.1 1,-0.1 41,-0.0 -0.058 98.3 -67.5 -66.7 173.7 -15.1 7.4 13.6 33 39 A N >> - 0 0 99 1,-0.1 3,-1.1 3,-0.1 4,-0.7 -0.137 52.1-107.3 -55.6 147.5 -15.9 3.7 14.0 34 40 A P H 3> S+ 0 0 92 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.668 109.0 79.6 -61.6 -16.8 -12.9 1.5 14.6 35 41 A Y H 3> S+ 0 0 95 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.947 94.6 49.3 -51.0 -50.0 -13.1 0.0 11.1 36 42 A Y H <> S+ 0 0 46 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.968 114.1 41.9 -54.4 -62.0 -11.4 3.1 9.8 37 43 A K H X S+ 0 0 79 -4,-0.7 4,-2.4 -8,-0.4 -1,-0.2 0.903 116.3 50.9 -55.9 -41.6 -8.6 3.2 12.3 38 44 A R H X S+ 0 0 164 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.932 108.1 50.0 -64.7 -46.8 -8.1 -0.5 12.0 39 45 A T H X S+ 0 0 18 -4,-3.1 4,-2.8 -5,-0.3 5,-0.3 0.918 111.0 50.5 -55.0 -48.1 -7.9 -0.6 8.3 40 46 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.942 112.0 48.6 -50.2 -50.1 -5.3 2.2 8.4 41 47 A M H X S+ 0 0 98 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.885 113.5 45.3 -64.6 -39.0 -3.4 0.2 10.9 42 48 A M H X S+ 0 0 92 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.900 114.1 47.7 -72.3 -40.7 -3.5 -3.0 8.9 43 49 A N H X S+ 0 0 32 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.820 108.0 57.8 -65.6 -30.6 -2.6 -1.4 5.6 44 50 A E H X S+ 0 0 37 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.916 105.7 49.6 -66.0 -40.3 0.2 0.4 7.4 45 51 A Y H X S+ 0 0 159 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.948 111.6 47.5 -62.4 -48.8 1.6 -3.0 8.4 46 52 A R H X S+ 0 0 168 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.913 110.9 52.2 -57.3 -47.4 1.4 -4.3 4.9 47 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.942 111.1 45.8 -55.5 -51.4 3.0 -1.2 3.5 48 54 A K H X S+ 0 0 110 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 112.0 51.9 -60.5 -43.2 6.0 -1.3 5.8 49 55 A A H X S+ 0 0 40 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.917 110.6 48.6 -59.7 -41.4 6.4 -5.1 5.1 50 56 A A H X>S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 5,-0.9 0.861 107.7 53.8 -67.8 -36.3 6.4 -4.4 1.4 51 57 A L H <5S+ 0 0 37 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.897 111.2 48.0 -62.3 -40.1 9.0 -1.6 1.8 52 58 A K H <5S+ 0 0 188 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.950 112.5 46.0 -65.5 -51.5 11.2 -4.0 3.6 53 59 A K H <5S- 0 0 160 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.866 95.3-146.6 -56.0 -35.8 10.8 -6.8 1.0 54 60 A N T <5 + 0 0 86 -4,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.774 41.5 156.8 64.2 29.9 11.4 -4.2 -1.7 55 61 A D >< - 0 0 64 -5,-0.9 4,-2.5 1,-0.1 -1,-0.2 -0.785 40.7-146.9 -90.8 117.6 9.0 -6.2 -3.8 56 62 A F H > S+ 0 0 59 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.808 95.6 48.7 -53.6 -37.2 7.4 -4.1 -6.5 57 63 A V H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 111.4 47.1 -71.6 -47.9 4.1 -5.9 -6.5 58 64 A S H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 113.6 50.1 -57.7 -46.2 3.6 -5.8 -2.7 59 65 A M H X S+ 0 0 1 -4,-2.5 4,-2.2 -9,-0.3 -1,-0.2 0.905 110.3 49.2 -59.1 -42.5 4.5 -2.2 -2.7 60 66 A A H X S+ 0 0 29 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.842 111.6 49.3 -70.6 -34.4 2.0 -1.4 -5.5 61 67 A D H X S+ 0 0 106 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.923 111.5 48.3 -65.0 -48.2 -0.8 -3.3 -3.8 62 68 A A H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.877 107.6 56.1 -62.1 -39.2 -0.2 -1.5 -0.4 63 69 A K H X S+ 0 0 41 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.912 108.9 46.8 -61.5 -40.1 -0.1 1.9 -2.1 64 70 A V H X S+ 0 0 88 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.887 111.0 53.1 -67.4 -37.5 -3.6 1.2 -3.6 65 71 A A H X S+ 0 0 28 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.947 109.6 45.9 -65.1 -49.6 -4.9 0.0 -0.3 66 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.903 112.1 51.9 -59.8 -44.7 -3.8 3.1 1.7 67 73 A E H X S+ 0 0 90 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.895 109.0 52.2 -57.5 -42.6 -5.2 5.4 -1.1 68 74 A K H X S+ 0 0 130 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.966 113.1 41.7 -57.1 -56.3 -8.5 3.6 -0.9 69 75 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.891 113.4 52.8 -63.5 -39.9 -8.9 4.0 2.9 70 76 A Y H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.942 109.5 50.0 -60.0 -45.8 -7.6 7.6 2.9 71 77 A K H X S+ 0 0 157 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.875 109.7 50.6 -59.0 -40.1 -10.2 8.3 0.3 72 78 A E H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.880 110.5 49.0 -66.2 -39.9 -13.0 6.7 2.4 73 79 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.925 107.8 55.0 -66.6 -43.8 -12.0 8.7 5.5 74 80 A D H X S+ 0 0 8 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.914 108.0 50.7 -49.1 -47.5 -12.0 11.9 3.4 75 81 A E H < S+ 0 0 102 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.947 110.8 45.6 -63.3 -50.6 -15.6 11.0 2.4 76 82 A I H >< S+ 0 0 22 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.974 114.3 48.3 -52.1 -61.3 -17.0 10.4 5.9 77 83 A I H 3< S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 104.9 61.9 -50.1 -32.9 -15.3 13.5 7.3 78 84 A N T 3< 0 0 62 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.484 360.0 360.0 -83.3 0.2 -16.7 15.6 4.4 79 85 A R < 0 0 205 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.910 360.0 360.0 -74.6 360.0 -20.3 14.9 5.3 80 !* 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 81 6 B Y 0 0 216 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 127.1 4.1 30.4 -7.8 82 7 B L + 0 0 109 1,-0.2 4,-0.4 2,-0.1 0, 0.0 -0.618 360.0 154.8 -73.6 101.5 3.7 33.5 -5.7 83 8 B T S S+ 0 0 61 -2,-1.1 -1,-0.2 2,-0.2 4,-0.2 0.397 70.0 60.9-111.8 -3.1 7.3 33.8 -4.6 84 9 B E S >> S+ 0 0 105 2,-0.2 4,-3.1 -3,-0.1 3,-2.0 0.843 92.7 65.4 -84.7 -42.4 6.9 37.5 -4.0 85 10 B S H 3> S+ 0 0 46 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.904 98.4 53.6 -41.7 -50.7 4.3 36.8 -1.4 86 11 B Q H 3> S+ 0 0 126 -4,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.754 114.1 43.0 -60.6 -23.9 7.0 35.2 0.7 87 12 B F H <> S+ 0 0 102 -3,-2.0 4,-1.9 -4,-0.2 -2,-0.2 0.895 106.4 57.7 -85.5 -49.2 9.0 38.4 0.4 88 13 B H H X S+ 0 0 52 -4,-3.1 4,-2.0 1,-0.2 5,-0.3 0.885 104.9 55.2 -47.8 -41.6 6.2 40.9 0.9 89 14 B D H X S+ 0 0 43 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.926 105.5 48.7 -64.0 -48.9 5.6 39.3 4.3 90 15 B K H X S+ 0 0 102 -4,-0.8 4,-1.9 -5,-0.2 -1,-0.3 0.861 111.0 58.6 -52.8 -32.1 9.2 39.7 5.5 91 16 B R H X S+ 0 0 85 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.933 107.8 37.0 -71.1 -52.1 8.7 43.3 4.3 92 17 B I H X S+ 0 0 3 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.863 115.1 57.6 -69.9 -31.2 5.7 44.5 6.4 93 18 B A H X S+ 0 0 6 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.944 110.9 42.1 -62.4 -45.9 7.0 42.6 9.4 94 19 B E H X S+ 0 0 104 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.904 118.6 45.2 -65.0 -42.5 10.3 44.4 9.2 95 20 B E H X S+ 0 0 62 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.823 113.8 49.5 -71.5 -33.7 8.6 47.8 8.6 96 21 B L H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 3,-0.3 0.936 109.5 50.0 -72.3 -47.0 6.0 47.2 11.3 97 22 B R H X S+ 0 0 64 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.912 106.9 56.9 -56.0 -42.6 8.5 46.2 14.0 98 23 B T H < S+ 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.894 110.6 43.1 -57.1 -39.7 10.5 49.3 13.1 99 24 B L H >< S+ 0 0 18 -4,-1.2 3,-1.6 -3,-0.3 -2,-0.2 0.867 109.1 57.0 -73.0 -39.4 7.4 51.4 13.8 100 25 B L H >< S+ 0 0 17 -4,-2.8 3,-1.8 1,-0.3 4,-0.3 0.894 100.2 61.2 -53.1 -42.2 6.6 49.4 17.0 101 26 B N T 3< S+ 0 0 131 -4,-2.5 4,-0.3 1,-0.3 -1,-0.3 0.511 99.6 54.9 -66.1 -7.4 10.1 50.4 18.2 102 27 B K T <> S+ 0 0 98 -3,-1.6 4,-1.6 -5,-0.1 -1,-0.3 0.305 81.4 93.7-102.8 6.4 9.2 54.1 18.1 103 28 B S H <> S+ 0 0 4 -3,-1.8 4,-2.2 2,-0.2 -2,-0.1 0.834 82.3 48.7 -76.7 -31.9 6.1 53.7 20.3 104 29 B N H > S+ 0 0 115 -4,-0.3 4,-3.0 2,-0.2 5,-0.2 0.973 109.3 53.1 -67.4 -53.9 7.8 54.5 23.7 105 30 B V H > S+ 0 0 99 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.891 114.8 43.2 -41.1 -47.1 9.5 57.6 22.3 106 31 B Y H X S+ 0 0 41 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.842 109.3 54.9 -76.7 -33.6 6.0 58.7 21.1 107 32 B A H < S+ 0 0 11 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.936 108.0 51.8 -63.2 -43.5 4.2 57.6 24.3 108 33 B L H >< S+ 0 0 135 -4,-3.0 3,-2.0 1,-0.2 4,-0.5 0.960 110.1 47.2 -53.0 -54.1 6.7 59.8 26.2 109 34 B A H 3< S+ 0 0 39 -4,-1.8 3,-0.5 1,-0.3 4,-0.4 0.844 113.1 49.0 -60.2 -35.7 6.0 62.8 24.0 110 35 B A T 3< S+ 0 0 0 -4,-2.1 8,-0.4 1,-0.2 -1,-0.3 0.310 83.5 95.5 -86.5 6.6 2.2 62.3 24.3 111 36 B G S < S+ 0 0 45 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.955 89.7 42.8 -59.5 -48.6 2.5 62.0 28.1 112 37 B S S S+ 0 0 106 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.880 103.7 80.7 -62.2 -41.9 1.6 65.7 28.4 113 38 B L S S- 0 0 32 -4,-0.4 5,-0.1 1,-0.1 41,-0.0 -0.057 98.6 -74.1 -65.5 170.2 -1.2 65.6 25.8 114 39 B N >> - 0 0 96 1,-0.1 3,-1.3 3,-0.1 4,-0.6 -0.260 51.7-102.5 -66.5 154.2 -4.7 64.5 26.4 115 40 B P H 3> S+ 0 0 84 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.568 108.7 80.5 -61.5 -15.4 -5.1 60.7 26.7 116 41 B Y H 3> S+ 0 0 87 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.957 95.8 48.5 -52.1 -49.8 -6.6 60.2 23.3 117 42 B Y H <> S+ 0 0 41 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.964 115.4 40.5 -55.2 -61.0 -3.0 60.3 21.9 118 43 B K H X S+ 0 0 76 -4,-0.6 4,-2.5 -8,-0.4 -1,-0.2 0.905 116.3 52.5 -56.8 -41.3 -1.5 57.9 24.4 119 44 B R H X S+ 0 0 145 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.962 108.5 48.7 -60.8 -53.0 -4.6 55.7 24.2 120 45 B T H X S+ 0 0 17 -4,-3.2 4,-2.8 -5,-0.2 5,-0.3 0.884 110.9 51.2 -53.2 -47.0 -4.5 55.4 20.4 121 46 B I H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.943 112.0 48.0 -52.3 -49.6 -0.8 54.5 20.5 122 47 B M H X S+ 0 0 95 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.891 113.6 45.5 -63.9 -40.5 -1.6 51.8 23.1 123 48 B M H X S+ 0 0 90 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.915 114.6 47.7 -69.9 -42.6 -4.5 50.4 21.1 124 49 B N H X S+ 0 0 32 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.832 107.8 57.7 -65.2 -31.7 -2.5 50.4 17.8 125 50 B E H X S+ 0 0 36 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.916 105.6 49.8 -64.8 -40.5 0.4 48.8 19.6 126 51 B Y H X S+ 0 0 167 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.948 111.4 47.8 -62.8 -50.2 -1.8 45.9 20.6 127 52 B R H X S+ 0 0 164 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.951 111.1 51.7 -51.2 -55.7 -3.0 45.4 17.0 128 53 B A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 111.4 45.9 -51.3 -51.6 0.5 45.6 15.6 129 54 B K H X S+ 0 0 110 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.927 112.1 51.8 -60.3 -44.5 1.8 43.0 18.0 130 55 B A H X S+ 0 0 44 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.915 110.8 48.5 -58.3 -41.3 -1.2 40.7 17.3 131 56 B A H X>S+ 0 0 5 -4,-2.9 4,-2.2 2,-0.2 5,-0.9 0.856 107.7 53.9 -68.7 -35.5 -0.6 41.0 13.6 132 57 B L H <5S+ 0 0 19 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.897 111.2 48.0 -62.6 -40.2 3.1 40.2 13.9 133 58 B K H <5S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.951 112.6 45.8 -65.1 -51.6 2.1 37.1 15.8 134 59 B K H <5S- 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.870 95.5-146.4 -56.3 -36.0 -0.5 36.1 13.2 135 60 B N T <5 + 0 0 32 -4,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.765 41.6 156.8 64.6 29.4 2.1 36.8 10.5 136 61 B D >< - 0 0 45 -5,-0.9 4,-2.4 1,-0.1 -1,-0.2 -0.776 40.5-147.1 -89.9 117.4 -0.9 37.9 8.3 137 62 B F H > S+ 0 0 59 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.814 95.5 48.7 -53.2 -38.0 0.2 40.4 5.6 138 63 B V H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 111.4 47.2 -71.2 -48.2 -3.1 42.3 5.7 139 64 B S H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 113.5 50.2 -57.4 -45.4 -3.3 42.8 9.4 140 65 B M H X S+ 0 0 1 -4,-2.4 4,-2.1 -9,-0.3 -1,-0.2 0.906 110.3 49.0 -59.8 -42.3 0.3 43.9 9.5 141 66 B A H X S+ 0 0 28 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.843 111.5 49.5 -71.3 -34.3 -0.2 46.4 6.7 142 67 B D H X S+ 0 0 108 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.929 111.4 48.4 -64.3 -48.7 -3.2 47.9 8.4 143 68 B A H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.871 107.5 56.2 -61.4 -39.0 -1.4 48.3 11.7 144 69 B K H X S+ 0 0 42 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.908 108.8 46.7 -62.3 -39.2 1.5 49.9 10.0 145 70 B V H X S+ 0 0 90 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.883 111.0 53.2 -68.8 -36.9 -0.7 52.5 8.5 146 71 B A H X S+ 0 0 28 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.946 109.6 45.8 -64.9 -49.5 -2.4 53.1 11.9 147 72 B L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.907 112.1 51.9 -60.5 -44.8 0.8 53.7 13.8 148 73 B E H X S+ 0 0 91 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.895 108.9 52.3 -57.7 -42.9 2.1 56.0 11.1 149 74 B K H X S+ 0 0 126 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.966 113.1 41.7 -55.6 -56.6 -1.2 58.0 11.3 150 75 B I H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 113.4 52.5 -63.8 -40.6 -1.0 58.5 15.1 151 76 B Y H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.940 109.7 50.2 -59.7 -45.6 2.7 59.2 15.1 152 77 B K H X S+ 0 0 160 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.875 109.7 50.3 -59.0 -40.7 2.1 61.9 12.5 153 78 B E H X S+ 0 0 53 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.875 110.7 49.1 -65.8 -39.8 -0.7 63.4 14.5 154 79 B I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.923 107.7 54.9 -67.1 -43.5 1.5 63.6 17.6 155 80 B D H X S+ 0 0 65 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.915 108.0 50.9 -49.3 -47.9 4.2 65.2 15.5 156 81 B E H < S+ 0 0 100 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.950 110.7 45.6 -62.3 -50.7 1.7 67.9 14.5 157 82 B I H >< S+ 0 0 24 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.975 114.2 48.4 -52.4 -61.0 0.5 68.8 18.1 158 83 B I H 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.8 61.8 -50.1 -32.6 4.1 68.9 19.5 159 84 B N T 3< 0 0 130 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.485 360.0 360.0 -83.8 -0.2 5.1 71.0 16.6 160 85 B R < 0 0 207 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.913 360.0 360.0 -74.2 360.0 2.8 73.9 17.5 161 !* 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 0.0 162 6 C Y 0 0 161 0, 0.0 2,-0.2 0, 0.0 -72,-0.0 0.000 360.0 360.0 360.0 -50.3 15.2 35.3 9.2 163 7 C L - 0 0 29 1,-0.2 5,-0.0 2,-0.0 0, 0.0 -0.687 360.0 -87.4-113.6 166.2 13.1 32.4 10.5 164 8 C T > - 0 0 64 -2,-0.2 4,-2.2 1,-0.1 -1,-0.2 -0.145 35.9-115.8 -59.2 159.5 10.0 30.5 9.3 165 9 C E H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.927 121.7 47.7 -58.9 -46.0 6.6 31.7 10.3 166 10 C S H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 110.0 51.0 -64.2 -43.0 6.3 28.4 12.2 167 11 C Q H > S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.880 105.8 56.8 -61.0 -39.8 9.7 28.8 13.7 168 12 C F H X S+ 0 0 47 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.966 108.7 45.7 -56.1 -51.6 8.7 32.2 14.9 169 13 C H H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.905 111.8 52.1 -56.5 -45.3 5.7 30.8 16.7 170 14 C D H X S+ 0 0 21 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.965 111.6 46.6 -53.4 -53.9 7.9 28.0 18.2 171 15 C K H X S+ 0 0 92 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.816 110.0 56.1 -62.5 -31.1 10.4 30.6 19.4 172 16 C R H X S+ 0 0 41 -4,-2.0 4,-2.2 -5,-0.2 3,-0.5 0.965 107.8 42.8 -68.5 -55.1 7.5 32.7 20.9 173 17 C I H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.883 110.0 59.7 -62.6 -35.6 5.9 30.2 23.2 174 18 C A H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.3 0.907 107.3 47.1 -52.7 -41.4 9.3 29.1 24.3 175 19 C E H X S+ 0 0 95 -4,-1.3 4,-2.2 -3,-0.5 -2,-0.2 0.953 112.9 47.1 -66.7 -49.1 9.8 32.7 25.4 176 20 C E H X S+ 0 0 63 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.830 113.3 49.5 -64.5 -32.1 6.5 32.8 27.2 177 21 C L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.911 109.2 49.9 -75.2 -43.6 7.1 29.5 28.9 178 22 C R H X S+ 0 0 110 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.909 106.6 57.5 -58.3 -41.9 10.5 30.3 30.2 179 23 C T H < S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 110.4 43.0 -57.1 -40.9 9.1 33.5 31.6 180 24 C L H >< S+ 0 0 19 -4,-1.3 3,-1.6 1,-0.2 -1,-0.2 0.859 109.3 56.8 -72.7 -37.9 6.7 31.5 33.6 181 25 C L H >< S+ 0 0 18 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.871 100.3 61.4 -55.5 -37.0 9.3 29.0 34.6 182 26 C N T 3< S+ 0 0 136 -4,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.547 99.1 55.1 -70.2 -9.5 11.2 31.9 36.0 183 27 C K T <> S+ 0 0 96 -3,-1.6 4,-1.5 -5,-0.1 -1,-0.3 0.230 81.2 93.8-101.3 11.3 8.4 32.6 38.4 184 28 C S H <> S+ 0 0 4 -3,-1.6 4,-2.3 2,-0.2 -2,-0.1 0.863 82.2 49.0 -81.3 -34.3 8.5 29.2 39.9 185 29 C N H > S+ 0 0 114 -4,-0.3 4,-2.9 2,-0.2 5,-0.3 0.980 109.1 52.6 -63.3 -56.0 10.8 29.8 42.8 186 30 C V H > S+ 0 0 101 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.902 114.9 43.9 -41.4 -47.8 8.9 32.9 43.9 187 31 C Y H X S+ 0 0 40 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.840 108.8 55.0 -74.4 -33.0 5.8 30.7 43.9 188 32 C A H < S+ 0 0 11 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.947 107.9 51.6 -62.7 -45.9 7.4 27.8 45.6 189 33 C L H >< S+ 0 0 135 -4,-2.9 3,-1.9 1,-0.2 4,-0.5 0.947 110.0 48.1 -51.3 -53.0 8.4 30.1 48.5 190 34 C A H 3< S+ 0 0 37 -4,-1.8 4,-0.4 1,-0.3 3,-0.4 0.813 112.8 48.7 -62.6 -29.7 4.8 31.4 48.8 191 35 C A T 3< S+ 0 0 1 -4,-1.7 8,-0.4 1,-0.2 -1,-0.3 0.326 83.3 95.3 -93.2 7.2 3.5 27.9 48.8 192 36 C G S < S+ 0 0 45 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.945 89.9 43.2 -60.0 -46.5 6.0 26.7 51.4 193 37 C S S S+ 0 0 105 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.877 103.0 82.3 -64.5 -41.2 3.4 27.4 54.1 194 38 C L S S- 0 0 35 -4,-0.4 5,-0.1 1,-0.1 -3,-0.0 -0.027 98.1 -73.3 -66.1 172.3 0.5 25.8 52.2 195 39 C N >> - 0 0 91 1,-0.1 3,-1.3 3,-0.1 4,-0.6 -0.271 53.3-103.5 -66.0 149.2 -0.4 22.2 52.1 196 40 C P H 3> S+ 0 0 95 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.613 108.9 80.5 -61.6 -15.7 2.0 20.1 49.9 197 41 C Y H 3> S+ 0 0 95 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.944 95.2 48.2 -50.7 -51.8 -0.4 19.9 46.9 198 42 C Y H <> S+ 0 0 33 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.955 115.0 41.7 -54.7 -58.1 0.5 23.4 45.9 199 43 C K H X S+ 0 0 79 -4,-0.6 4,-2.2 -8,-0.4 -1,-0.2 0.899 116.1 51.8 -59.6 -38.1 4.3 22.9 46.1 200 44 C R H X S+ 0 0 152 -4,-3.4 4,-2.5 2,-0.2 -2,-0.2 0.967 108.1 49.2 -63.3 -54.9 4.0 19.4 44.5 201 45 C T H X S+ 0 0 18 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.907 110.3 51.9 -48.5 -51.2 1.9 20.6 41.5 202 46 C I H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.938 111.9 46.6 -49.2 -48.9 4.5 23.4 40.9 203 47 C M H X S+ 0 0 97 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.859 113.2 49.4 -66.9 -34.7 7.2 20.9 41.0 204 48 C M H X S+ 0 0 105 -4,-2.5 4,-1.7 2,-0.2 3,-0.2 0.941 114.3 43.8 -60.6 -58.1 5.3 18.6 38.6 205 49 C N H X S+ 0 0 27 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.788 108.0 59.7 -63.8 -33.0 4.5 21.3 36.2 206 50 C E H X S+ 0 0 37 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.919 104.6 50.0 -64.7 -40.9 8.1 22.6 36.3 207 51 C Y H X S+ 0 0 184 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.941 111.6 47.4 -63.6 -47.2 9.3 19.2 35.1 208 52 C R H X S+ 0 0 81 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.977 110.7 52.1 -55.4 -60.3 6.9 19.1 32.2 209 53 C A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.901 111.6 45.7 -42.5 -54.7 7.7 22.7 31.2 210 54 C K H X S+ 0 0 108 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.927 112.5 51.6 -59.2 -42.6 11.5 22.0 31.1 211 55 C A H X S+ 0 0 39 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.910 110.6 48.6 -59.0 -43.0 10.9 18.8 29.2 212 56 C A H X>S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 5,-0.9 0.854 107.8 53.8 -67.3 -37.0 8.8 20.6 26.6 213 57 C L H <5S+ 0 0 37 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.906 110.6 48.3 -61.1 -43.0 11.5 23.4 26.2 214 58 C K H <5S+ 0 0 191 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.947 112.8 45.6 -62.5 -51.3 14.0 20.7 25.5 215 59 C K H <5S- 0 0 154 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.844 95.3-147.0 -57.4 -33.8 11.8 18.9 23.0 216 60 C N T <5 + 0 0 77 -4,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.786 41.1 156.9 60.9 31.1 11.0 22.2 21.4 217 61 C D >< - 0 0 56 -5,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.789 41.0-146.6 -90.0 115.6 7.6 20.8 20.7 218 62 C F H > S+ 0 0 26 -2,-0.7 4,-1.7 1,-0.2 -1,-0.1 0.768 95.6 49.4 -51.8 -34.3 5.0 23.6 20.3 219 63 C V H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.938 110.9 46.5 -75.0 -48.2 2.1 21.6 21.7 220 64 C S H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.935 113.8 51.1 -55.0 -49.2 3.9 20.3 24.9 221 65 C M H X S+ 0 0 3 -4,-2.4 4,-2.3 -9,-0.3 -1,-0.2 0.919 109.8 48.6 -56.4 -45.0 5.1 23.9 25.5 222 66 C A H X S+ 0 0 30 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.828 112.1 48.9 -69.2 -32.5 1.6 25.3 25.1 223 67 C D H X S+ 0 0 98 -4,-2.1 4,-2.0 2,-0.2 3,-0.4 0.943 111.3 49.3 -67.6 -50.6 0.2 22.7 27.5 224 68 C A H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.892 107.2 55.2 -56.1 -44.0 2.9 23.4 30.1 225 69 C K H X S+ 0 0 41 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.870 109.1 47.6 -60.3 -36.0 2.3 27.1 29.9 226 70 C V H X S+ 0 0 88 -4,-1.1 4,-2.1 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4,-2.3 -5,-0.3 -1,-0.2 0.917 105.5 51.2 -64.6 -37.9 -8.0 26.2 -0.2 288 51 D Y H X S+ 0 0 164 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.931 111.9 43.7 -67.8 -48.3 -9.3 29.5 -1.4 289 52 D R H X S+ 0 0 65 -4,-2.1 4,-3.1 2,-0.2 3,-0.4 0.987 110.8 56.5 -58.0 -59.0 -7.0 29.7 -4.3 290 53 D A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.3 -2,-0.2 0.853 111.6 43.1 -39.3 -46.8 -7.7 26.1 -5.2 291 54 D K H X S+ 0 0 107 -4,-2.3 4,-1.8 2,-0.2 -1,-0.3 0.884 112.1 53.1 -69.9 -38.6 -11.4 26.8 -5.3 292 55 D A H X S+ 0 0 47 -4,-2.2 4,-2.5 -3,-0.4 -2,-0.2 0.910 109.7 49.3 -59.8 -43.1 -10.9 30.0 -7.2 293 56 D A H X>S+ 0 0 4 -4,-3.1 4,-1.9 2,-0.2 5,-0.9 0.852 107.2 53.9 -67.5 -36.6 -8.8 28.2 -9.8 294 57 D L H <5S+ 0 0 37 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.905 110.6 48.2 -61.0 -42.6 -11.4 25.4 -10.3 295 58 D K H <5S+ 0 0 191 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.948 112.8 45.7 -63.4 -50.8 -14.0 28.1 -11.0 296 59 D K H <5S- 0 0 159 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.846 95.2-147.0 -57.0 -33.9 -11.7 29.9 -13.5 297 60 D N T <5 + 0 0 80 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4,-2.0 -3,-0.4 -1,-0.2 0.876 110.6 52.5 -72.2 -34.8 1.4 22.1 -5.8 308 71 D A H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.963 109.8 46.4 -65.6 -52.4 0.6 24.4 -2.9 309 72 D L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.912 111.8 51.7 -56.8 -46.2 -1.8 22.1 -1.2 310 73 D E H X S+ 0 0 91 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.902 109.1 52.1 -58.0 -41.3 0.6 19.1 -1.6 311 74 D K H X S+ 0 0 126 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.963 113.1 41.9 -59.5 -54.1 3.3 21.2 -0.0 312 75 D I H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.907 113.9 51.9 -63.0 -43.2 1.3 22.1 3.1 313 76 D Y H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.919 109.9 50.5 -57.4 -44.3 -0.1 18.7 3.5 314 77 D K H X S+ 0 0 146 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.843 109.7 50.3 -63.7 -34.9 3.4 17.3 3.3 315 78 D E H X S+ 0 0 49 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.872 110.8 48.6 -70.6 -40.2 4.6 19.8 6.0 316 79 D I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.923 107.6 55.7 -66.6 -43.9 1.7 18.8 8.3 317 80 D D H X S+ 0 0 5 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.919 107.8 50.9 -49.0 -46.6 2.5 15.1 7.8 318 81 D E H < S+ 0 0 103 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.940 110.6 45.4 -63.9 -50.6 6.1 15.9 8.9 319 82 D I H >< S+ 0 0 20 -4,-2.1 3,-2.5 1,-0.2 -2,-0.2 0.974 114.1 48.5 -52.3 -61.7 5.2 17.7 12.2 320 83 D I H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.803 104.6 62.4 -49.7 -32.9 2.6 15.1 13.2 321 84 D N T 3< 0 0 59 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.461 360.0 360.0 -83.3 2.0 5.1 12.4 12.5 322 85 D R < 0 0 177 -3,-2.5 -1,-0.2 -4,-0.3 -2,-0.2 0.912 360.0 360.0 -77.1 360.0 7.5 13.6 15.1