==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 04-MAR-11 3QYX . COMPND 2 MOLECULE: ESX-1 SECRETION-ASSOCIATED REGULATOR ESPR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR B.BLASCO,F.POJER,S.T.COLE . 520 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 71.5 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 . 2 0.4 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 . 1 0.2 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 4 0 0 0 4 6 5 5 0 0 0 0 4 1 3 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 . 1 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 3 A S 0 0 140 0, 0.0 2,-0.4 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 -54.0 -19.5 43.9 20.8 2 4 A T - 0 0 54 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.787 360.0-112.3 -87.9 137.6 -17.1 46.2 19.1 3 5 A T > - 0 0 82 -2,-0.4 4,-0.8 1,-0.1 -1,-0.1 0.035 20.3-116.1 -66.7 176.9 -18.9 49.2 17.7 4 6 A F H >> S+ 0 0 22 2,-0.2 4,-2.3 1,-0.1 3,-0.8 0.959 109.4 53.7 -76.7 -53.5 -19.2 49.7 14.0 5 7 A A H 3> S+ 0 0 12 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.768 111.6 48.0 -58.4 -25.3 -17.3 52.9 13.5 6 8 A A H 3> S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.815 105.5 56.7 -83.2 -31.5 -14.4 51.3 15.3 7 9 A R H - 0 0 15 0, 0.0 3,-1.0 0, 0.0 183,-0.1 -0.167 48.1 -90.9 -78.5 155.2 -1.1 48.8 0.1 18 20 A P T 3 S+ 0 0 29 0, 0.0 3,-0.1 0, 0.0 197,-0.1 -0.209 102.8 26.3 -65.2 149.3 2.7 48.4 0.2 19 21 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 182,-0.1 182,-0.0 0.331 114.8 66.5 79.5 -3.3 5.2 51.3 -0.4 20 22 A R S < S- 0 0 86 -3,-1.0 -1,-0.2 1,-0.1 -4,-0.0 -0.845 81.6 -96.8-141.0 176.2 2.7 53.8 0.8 21 23 A G - 0 0 37 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.067 58.3 -65.7 -86.3-172.1 0.7 55.2 3.8 22 24 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.124 58.2 -83.3 -82.4 176.1 -2.9 54.4 4.7 23 25 A H - 0 0 8 -11,-0.6 2,-0.1 -8,-0.5 -8,-0.0 -0.600 43.5-143.2 -79.7 128.0 -6.0 55.2 2.8 24 26 A T > - 0 0 70 -2,-0.4 4,-0.8 -3,-0.1 -1,-0.0 -0.274 25.7-105.0 -78.4 177.1 -7.3 58.6 3.5 25 27 A S H >> S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.933 117.8 46.6 -73.3 -43.3 -10.9 59.3 3.8 26 28 A A H 3> S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.882 98.1 68.9 -68.8 -36.6 -11.3 61.0 0.5 27 29 A E H 3> S+ 0 0 64 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.867 103.9 49.4 -46.2 -37.6 -9.3 58.4 -1.5 28 30 A V H S+ 0 0 1 -4,-1.0 5,-1.7 -5,-0.2 -1,-0.3 0.849 106.4 49.9 -82.0 -33.4 -16.0 54.9 -4.8 33 35 A K H ><5S+ 0 0 151 -4,-1.3 3,-2.4 -3,-0.4 -2,-0.2 0.952 108.7 50.0 -64.0 -53.2 -17.1 57.5 -7.4 34 36 A A T 3<5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.609 105.0 57.5 -66.5 -12.4 -15.2 55.9 -10.2 35 37 A E T 3 5S- 0 0 56 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.335 127.9-103.4 -92.9 4.4 -16.6 52.5 -9.4 36 38 A G T < 5S+ 0 0 68 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.899 80.5 124.0 78.3 45.0 -20.0 54.2 -10.0 37 39 A I < - 0 0 65 -5,-1.7 -1,-0.2 -4,-0.2 2,-0.2 -0.945 46.8-147.9-137.3 118.4 -21.2 54.7 -6.4 38 40 A T + 0 0 139 -2,-0.4 2,-0.3 -5,-0.1 -8,-0.1 -0.536 24.7 164.5 -75.4 142.5 -22.2 58.0 -4.9 39 41 A M - 0 0 34 -2,-0.2 2,-0.1 -10,-0.1 -6,-0.1 -0.849 39.2-111.3-154.2 139.4 -21.7 58.6 -1.2 40 42 A S > - 0 0 61 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.397 18.3-144.7 -62.4 133.5 -21.7 61.7 0.9 41 43 A A H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 101.8 47.4 -66.1 -45.8 -18.2 62.6 2.3 42 44 A P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.724 106.4 59.5 -69.6 -17.7 -19.6 64.0 5.5 43 45 A Y H > S+ 0 0 58 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.888 108.4 45.5 -72.5 -37.7 -21.7 60.9 5.8 44 46 A L H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.999 113.0 47.8 -58.1 -66.1 -18.4 59.1 5.8 45 47 A S H X S+ 0 0 59 -4,-2.8 4,-2.8 1,-0.2 6,-0.3 0.838 113.8 49.7 -47.3 -44.0 -16.8 61.4 8.3 46 48 A Q H X>S+ 0 0 50 -4,-2.4 5,-1.1 2,-0.2 4,-0.5 0.991 113.7 43.6 -53.3 -65.7 -19.9 61.1 10.5 47 49 A L H ><5S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.865 116.6 47.5 -45.8 -48.8 -19.9 57.3 10.3 48 50 A R H 3<5S+ 0 0 55 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 116.8 43.0 -61.0 -46.9 -16.1 57.1 10.8 49 51 A S H 3<5S- 0 0 88 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.172 114.5-111.2 -94.0 11.7 -16.2 59.5 13.7 50 52 A G T <<5S+ 0 0 49 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.346 83.0 123.3 85.4 -8.5 -19.2 58.1 15.4 51 53 A N S -A 318 0A 31 262,-0.2 4,-1.1 1,-0.1 262,-0.2 -0.104 38.8-111.5 -62.2 158.7 -27.6 50.9 5.3 57 59 A G H >> S+ 0 0 22 260,-1.2 4,-1.4 1,-0.2 3,-0.8 0.967 121.3 41.6 -51.0 -52.0 -27.1 47.4 4.3 58 60 A A H 3> S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.782 101.3 68.6 -73.9 -28.5 -25.4 48.5 1.1 59 61 A T H 3> S+ 0 0 17 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.822 106.7 43.1 -56.9 -32.8 -23.4 51.4 2.8 60 62 A M H S+ 0 0 1 -4,-2.4 5,-2.0 1,-0.2 4,-0.5 0.855 109.2 51.5 -69.6 -32.3 -16.1 46.5 2.7 65 67 A N H <5S+ 0 0 99 -4,-1.4 3,-0.3 -5,-0.3 -2,-0.2 0.811 101.8 60.8 -75.1 -26.4 -15.7 46.2 -1.1 66 68 A F H <5S+ 0 0 4 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 110.4 38.9 -64.6 -36.1 -13.3 49.0 -1.2 67 69 A F T <5S- 0 0 5 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.453 114.1-117.8 -94.7 -1.6 -10.7 47.3 1.1 68 70 A R T 5S+ 0 0 60 -4,-0.5 2,-0.3 -3,-0.3 -3,-0.2 0.782 72.4 122.5 69.2 30.6 -11.4 44.0 -0.5 69 71 A I S - 0 0 79 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.258 26.7-132.7 -66.9 142.3 -16.1 40.5 3.1 71 73 A A T >> S+ 0 0 25 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.648 99.8 79.1 -68.5 -13.6 -19.0 42.7 4.2 72 74 A A H 3> S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 8,-0.3 0.724 75.0 77.8 -67.6 -23.1 -19.8 40.1 6.9 73 75 A Y H <4 S+ 0 0 1 -3,-1.5 -1,-0.2 1,-0.2 7,-0.2 0.945 97.9 41.8 -44.5 -60.1 -17.0 41.6 8.8 74 76 A F H <4 S+ 0 0 9 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.915 127.8 29.9 -57.2 -46.7 -19.2 44.5 9.9 75 77 A T H < S+ 0 0 31 -4,-1.1 2,-0.2 1,-0.1 -2,-0.2 0.987 106.0 60.7 -84.8 -67.8 -22.3 42.3 10.5 76 78 A D X - 0 0 27 -4,-1.0 4,-1.1 1,-0.2 5,-0.1 -0.472 63.6-157.3 -65.0 126.5 -21.5 38.7 11.6 77 79 A D H > S+ 0 0 70 -2,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 86.8 58.6 -75.2 -40.6 -19.6 38.9 14.9 78 80 A E H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.963 106.8 43.7 -50.6 -64.3 -18.0 35.5 14.5 79 81 A Y H > S+ 0 0 26 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.823 110.4 57.3 -55.9 -36.6 -16.2 36.1 11.2 80 82 A Y H X S+ 0 0 13 -4,-1.1 4,-1.4 -8,-0.3 -1,-0.3 0.939 108.0 47.6 -56.8 -52.4 -15.0 39.5 12.4 81 83 A E H >X S+ 0 0 80 -4,-2.4 3,-2.1 -3,-0.3 4,-1.0 0.988 112.0 49.5 -45.8 -67.4 -13.4 37.7 15.3 82 84 A K H 3< S+ 0 0 136 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.712 115.7 43.6 -46.3 -33.1 -11.8 35.2 12.9 83 85 A L H 3X S+ 0 0 6 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.3 0.586 98.6 71.6 -93.9 -10.8 -10.5 38.0 10.7 84 86 A D H S+ 0 0 65 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.899 103.5 43.9 -62.8 -55.0 -5.2 39.0 10.8 87 89 A L H X S+ 0 0 3 -4,-1.1 4,-2.4 1,-0.2 5,-0.3 0.922 111.0 57.4 -60.9 -39.7 -5.1 42.7 10.8 88 90 A Q H X S+ 0 0 115 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.924 105.4 55.3 -53.2 -40.1 -3.3 42.5 14.1 89 91 A W H >X S+ 0 0 28 -4,-1.6 4,-1.8 -5,-0.3 3,-1.3 0.949 106.5 44.5 -59.1 -55.4 -0.9 40.5 12.2 90 92 A L H 3X S+ 0 0 23 -4,-2.2 4,-0.8 1,-0.3 -1,-0.2 0.830 106.4 60.8 -67.5 -24.2 -0.1 43.0 9.5 91 93 A C H 3X S+ 0 0 51 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.3 0.799 108.6 49.3 -62.9 -26.3 0.1 45.7 12.1 92 94 A T H X< S+ 0 0 18 -3,-1.3 3,-0.5 -4,-1.0 -2,-0.2 0.899 102.5 54.7 -77.9 -45.7 2.9 43.4 13.3 93 95 A M H 3< S+ 0 0 16 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.549 108.7 53.4 -71.6 -9.0 4.8 42.8 10.1 94 96 A R H 3< S+ 0 0 56 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.714 79.4 101.6 -86.5 -30.8 5.1 46.6 9.7 95 97 A D S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.797 91.0 58.7 -74.1 -31.3 10.3 47.7 12.4 97 99 A G H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.970 105.8 49.8 -58.4 -53.4 11.7 46.3 15.6 98 100 A V H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.865 111.0 52.9 -53.0 -37.4 10.0 43.0 14.9 99 101 A R H X S+ 0 0 23 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.996 106.5 47.5 -61.8 -61.4 11.5 43.1 11.4 100 102 A R H < S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 115.9 49.2 -59.9 -24.0 15.1 43.6 12.4 101 103 A I H >X S+ 0 0 2 -4,-2.1 4,-2.7 -5,-0.2 3,-1.7 0.940 111.4 45.8 -70.4 -55.2 14.6 40.8 14.9 102 104 A A H 3X S+ 0 0 8 -4,-2.7 4,-1.1 1,-0.3 -2,-0.2 0.853 106.3 58.9 -61.5 -33.4 13.0 38.3 12.4 103 105 A Q H 3< S+ 0 0 87 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.481 113.7 40.3 -78.9 -0.9 15.5 39.0 9.7 104 106 A R H <4 S+ 0 0 109 -3,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.737 111.4 52.1-107.3 -54.5 18.2 37.9 12.2 105 107 A A H >< S+ 0 0 2 -4,-2.7 3,-1.1 2,-0.1 2,-0.4 0.562 90.8 99.1 -58.8 -11.4 16.4 35.0 13.8 106 108 A H T 3< S+ 0 0 92 -4,-1.1 118,-0.0 -5,-0.3 -3,-0.0 -0.689 79.1 35.5 -75.1 129.1 15.9 33.7 10.2 107 109 A G T 3 S+ 0 0 56 1,-0.5 -1,-0.2 -2,-0.4 -2,-0.1 0.325 90.5 121.8 107.0 -6.5 18.5 31.1 9.5 108 110 A L < - 0 0 16 -3,-1.1 -1,-0.5 1,-0.1 148,-0.0 -0.643 61.4-108.7 -88.3 155.3 18.5 29.6 12.9 109 111 A P > - 0 0 55 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.006 37.1 -87.5 -75.4 172.8 17.7 26.0 13.8 110 112 A S H > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.825 119.6 29.9 -60.1 -43.0 14.7 24.4 15.5 111 113 A A H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.511 112.6 63.0-100.4 -0.1 15.6 24.5 19.2 112 114 A A H > S+ 0 0 10 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.873 101.8 52.3 -79.5 -41.9 17.7 27.6 19.0 113 115 A Q H X S+ 0 0 32 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.905 108.6 52.4 -55.4 -42.7 14.7 29.6 17.9 114 116 A Q H X S+ 0 0 94 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.938 104.5 52.9 -60.5 -50.5 12.9 28.1 21.0 115 117 A K H X S+ 0 0 113 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.809 111.7 50.4 -55.4 -28.6 15.6 29.2 23.4 116 118 A V H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.954 106.3 51.6 -71.4 -54.1 15.0 32.7 21.8 117 119 A L H X S+ 0 0 25 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.865 106.9 55.6 -49.1 -42.8 11.2 32.7 22.1 118 120 A D H X S+ 0 0 77 -4,-2.5 4,-1.8 2,-0.2 3,-0.4 0.971 104.5 51.2 -59.9 -52.8 11.6 31.9 25.8 119 121 A R H >X S+ 0 0 67 -4,-1.3 4,-2.1 1,-0.3 3,-0.6 0.917 108.6 53.8 -46.4 -47.2 13.9 34.9 26.4 120 122 A I H 3X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.3 -1,-0.3 0.904 108.0 49.8 -56.1 -41.1 11.2 37.0 24.7 121 123 A D H 3X S+ 0 0 45 -4,-2.0 4,-2.0 -3,-0.4 -1,-0.3 0.749 108.5 51.6 -73.1 -25.0 8.6 35.6 27.1 122 124 A E H <>S+ 0 0 40 -4,-1.9 5,-1.9 -5,-0.3 6,-1.7 0.914 112.9 47.1 -66.7 -44.8 7.5 40.1 28.5 125 127 A R H ><5S+ 0 0 149 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.942 113.8 49.2 -56.2 -45.6 7.0 38.6 31.9 126 128 A A T 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.354 104.7 59.4 -83.5 1.9 9.4 41.2 33.2 127 129 A E T < 5S- 0 0 82 -3,-1.1 -1,-0.3 3,-0.2 -2,-0.2 0.468 110.4-112.0-101.0 -4.1 7.8 44.1 31.5 128 130 A G T < 5S+ 0 0 70 -3,-1.3 -3,-0.2 -4,-0.4 3,-0.1 0.886 95.9 105.2 66.4 38.4 4.4 43.8 33.1 129 131 A I S S+ 0 0 25 2,-0.1 4,-1.8 43,-0.1 3,-0.3 0.736 103.4 55.9-101.5 -58.2 7.8 42.0 -17.2 137 7 D A H > S+ 0 0 18 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.821 112.8 46.9 -47.5 -30.3 5.5 38.9 -17.2 138 8 D A H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.891 106.3 55.6 -79.7 -40.2 7.5 37.8 -14.2 139 9 D R H > S+ 0 0 7 -3,-0.3 4,-1.1 1,-0.2 -2,-0.2 0.718 108.0 53.7 -57.0 -24.1 7.3 41.2 -12.4 140 10 D L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.915 105.9 47.6 -79.6 -47.2 3.5 40.8 -12.8 141 11 D N H X S+ 0 0 42 -4,-1.5 4,-2.6 -5,-0.2 5,-0.3 0.843 102.0 67.2 -63.5 -29.6 3.2 37.4 -11.2 142 12 D R H X S+ 0 0 73 -4,-2.0 4,-2.6 1,-0.2 3,-0.4 0.984 107.2 40.1 -45.7 -63.6 5.4 38.8 -8.4 143 13 D L H X S+ 0 0 1 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.902 110.6 56.5 -52.1 -51.4 2.4 41.0 -7.6 144 14 D F H < S+ 0 0 3 -4,-2.4 11,-0.6 1,-0.2 -1,-0.2 0.899 116.5 37.2 -52.4 -41.2 -0.2 38.4 -8.2 145 15 D D H < S+ 0 0 101 -4,-2.6 -1,-0.2 -3,-0.4 -2,-0.2 0.814 124.6 34.3 -82.7 -39.9 1.4 36.2 -5.6 146 16 D T H < S+ 0 0 14 -4,-2.6 2,-0.8 -5,-0.3 -3,-0.2 0.886 106.7 68.0 -84.1 -41.0 2.6 38.5 -3.0 147 17 D V < + 0 0 19 -4,-2.1 8,-0.4 -5,-0.3 -1,-0.1 -0.702 62.6 122.2 -92.3 108.8 -0.1 41.2 -3.0 148 18 D Y - 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0 0 137 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.646 26.9-140.0 -83.4 134.9 2.8 52.8 -8.6 203 73 D A T >> S+ 0 0 37 -2,-0.3 3,-2.1 1,-0.3 4,-0.8 0.772 99.5 76.8 -66.4 -21.6 3.0 51.9 -12.3 204 74 D A H 3> S+ 0 0 36 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.632 76.1 80.5 -59.5 -13.0 6.6 53.0 -12.2 205 75 D Y H <4 S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.885 95.0 42.4 -59.4 -38.0 7.0 49.6 -10.5 206 76 D F H <4 S+ 0 0 13 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.817 124.8 32.3 -79.9 -35.5 6.9 48.0 -14.0 207 77 D T H < S+ 0 0 78 -4,-0.8 -2,-0.1 -71,-0.0 -3,-0.1 0.952 101.1 72.6 -88.2 -66.4 9.2 50.5 -15.8 208 78 D D < - 0 0 60 -4,-1.1 4,-0.4 1,-0.1 5,-0.0 -0.321 61.7-159.3 -57.4 127.9 11.8 51.8 -13.3 209 79 D D S S+ 0 0 82 2,-0.1 4,-0.4 3,-0.1 -1,-0.1 0.489 87.0 47.8 -92.1 -4.6 14.3 49.1 -12.5 210 80 D E S > S+ 0 0 146 2,-0.2 4,-2.5 3,-0.1 3,-0.4 0.860 111.1 44.3 -95.0 -55.2 15.4 50.7 -9.2 211 81 D Y H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -2,-0.1 0.684 106.4 66.5 -63.9 -21.5 12.2 51.5 -7.5 212 82 D Y H 4 S+ 0 0 28 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.963 107.9 38.2 -59.6 -50.7 11.2 48.0 -8.6 213 83 D E H > S+ 0 0 102 -4,-0.4 4,-1.9 -3,-0.4 3,-0.4 0.881 114.7 54.3 -67.2 -44.1 13.9 46.7 -6.3 214 84 D K H X S+ 0 0 141 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.885 116.5 37.3 -54.9 -46.1 13.1 49.3 -3.6 215 85 D L H < S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.425 108.6 66.0 -90.5 1.7 9.5 48.3 -3.5 216 86 D D H >> S+ 0 0 14 -3,-0.4 4,-2.8 2,-0.2 3,-1.9 0.812 93.0 61.4 -81.9 -35.6 10.4 44.7 -4.0 217 87 D K H 3X S+ 0 0 80 -4,-1.9 4,-1.2 1,-0.3 -2,-0.2 0.963 98.7 54.8 -51.6 -50.1 12.0 44.8 -0.6 218 88 D E H 3X S+ 0 0 53 -4,-0.8 4,-1.0 1,-0.2 -1,-0.3 0.675 115.1 42.1 -60.3 -12.5 8.7 45.6 0.8 219 89 D L H <> S+ 0 0 4 -3,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.890 108.2 51.6 -96.3 -57.1 7.4 42.4 -0.9 220 90 D Q H X S+ 0 0 63 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.628 113.0 59.5 -54.7 -13.0 10.2 39.9 -0.3 221 91 D W H X S+ 0 0 33 -4,-1.2 4,-1.1 -5,-0.4 -1,-0.2 0.953 95.9 50.5 -80.2 -62.0 9.5 41.2 3.1 222 92 D L H X S+ 0 0 11 -4,-1.0 4,-1.2 1,-0.2 -2,-0.2 0.835 115.5 50.3 -47.2 -34.2 5.8 40.3 3.6 223 93 D C H X S+ 0 0 47 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.959 94.6 61.3 -74.5 -53.1 6.8 36.8 2.5 224 94 D T H < S+ 0 0 47 -4,-1.3 6,-0.2 1,-0.2 -1,-0.2 0.784 110.1 51.0 -51.0 -25.7 9.9 35.8 4.6 225 95 D M H < S+ 0 0 9 -4,-1.1 -1,-0.2 1,-0.2 5,-0.2 0.968 90.7 66.3 -73.8 -60.1 7.5 36.2 7.5 226 96 D R H < S+ 0 0 82 -4,-1.2 2,-0.3 -3,-0.1 -1,-0.2 0.754 78.9 99.3 -47.0 -26.0 4.4 34.2 6.7 227 97 D D S >X S- 0 0 80 -4,-1.1 3,-0.9 1,-0.1 4,-0.5 -0.495 79.8-138.3 -56.4 125.0 6.7 31.2 7.0 228 98 D D H 3> S+ 0 0 106 -2,-0.3 4,-0.8 1,-0.3 5,-0.2 0.296 87.8 84.2 -88.3 5.5 5.8 30.1 10.6 229 99 D G H 3> S+ 0 0 31 1,-0.2 4,-0.6 2,-0.1 -1,-0.3 0.964 113.0 24.8 -58.4 -49.3 9.2 29.3 11.9 230 100 D V H <> S+ 0 0 5 -3,-0.9 4,-2.6 -5,-0.2 5,-0.2 0.582 104.4 83.0 -91.3 -13.8 9.3 33.0 12.7 231 101 D R H X S+ 0 0 61 -4,-0.5 4,-2.0 -6,-0.2 -1,-0.2 0.971 96.4 44.2 -55.7 -54.6 5.6 33.7 12.9 232 102 D R H X S+ 0 0 166 -4,-0.8 4,-1.2 1,-0.2 3,-0.4 0.928 115.3 47.6 -53.8 -56.8 5.4 32.6 16.4 233 103 D I H X S+ 0 0 8 -4,-0.6 4,-0.6 1,-0.2 -1,-0.2 0.837 110.9 52.6 -50.5 -41.3 8.6 34.4 17.5 234 104 D A H < S+ 0 0 8 -4,-2.6 4,-0.5 1,-0.2 3,-0.4 0.813 100.5 59.3 -78.8 -30.1 7.5 37.6 15.8 235 105 D Q H >< S+ 0 0 74 -4,-2.0 3,-1.0 -3,-0.4 -1,-0.2 0.909 104.1 51.0 -61.4 -40.2 4.1 37.9 17.4 236 106 D R H 3< S+ 0 0 76 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.692 99.4 65.9 -72.4 -18.9 5.6 38.0 20.9 237 107 D A T >< S+ 0 0 2 -4,-0.6 3,-0.8 -3,-0.4 -1,-0.2 0.637 76.0 101.9 -81.9 -13.5 8.1 40.8 20.1 238 108 D H T < S+ 0 0 82 -3,-1.0 -146,-0.1 -4,-0.5 -3,-0.0 -0.478 85.0 18.9 -73.5 138.8 5.5 43.4 19.5 239 109 D G T 3 S+ 0 0 49 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.104 82.3 133.6 93.2 -23.4 5.0 45.9 22.3 240 110 D L S < S- 0 0 3 -3,-0.8 -1,-0.3 -4,-0.1 5,-0.2 -0.475 71.9 -99.4 -59.1 122.3 8.3 45.2 24.0 241 111 D P > - 0 0 53 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.027 31.0-111.0 -46.0 144.4 9.7 48.7 24.8 242 112 D S H > S+ 0 0 92 1,-0.3 4,-0.7 2,-0.2 -2,-0.1 0.675 121.9 57.9 -59.9 -12.0 12.3 49.6 22.2 243 113 D A H > S+ 0 0 76 2,-0.1 4,-0.9 3,-0.1 3,-0.5 0.950 106.6 43.1 -73.9 -53.9 14.7 49.2 25.1 244 114 D A H > S+ 0 0 5 -3,-0.3 4,-0.9 1,-0.3 3,-0.5 0.868 104.9 64.1 -64.9 -39.5 13.8 45.6 25.9 245 115 D Q H >X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 3,-2.0 0.922 95.4 60.6 -47.5 -47.6 13.8 44.6 22.3 246 116 D Q H 3X S+ 0 0 77 -4,-0.7 4,-1.7 -3,-0.5 -1,-0.2 0.916 98.6 56.3 -48.1 -48.2 17.5 45.4 22.2 247 117 D K H 3X S+ 0 0 130 -4,-0.9 4,-1.2 -3,-0.5 -1,-0.3 0.726 108.6 48.5 -59.8 -22.6 18.1 42.8 24.9 248 118 D V H - 0 0 96 -2,-0.5 4,-1.4 1,-0.1 3,-0.2 -0.019 23.8-115.5 -60.9 160.8 -33.1 41.2 -3.5 266 6 B F H >> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.985 110.1 52.4 -61.5 -58.4 -33.4 41.7 0.3 267 7 B A H 3> S+ 0 0 10 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.666 111.6 49.0 -60.8 -16.6 -37.2 41.5 0.7 268 8 B A H 3> S+ 0 0 47 2,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.817 106.9 53.8 -83.8 -40.6 -37.2 38.2 -1.1 269 9 B R H X S+ 0 0 0 -4,-2.5 3,-1.4 2,-0.2 4,-1.0 0.972 108.4 50.7 -70.7 -56.5 -36.7 37.9 3.8 271 11 B N H 3X S+ 0 0 47 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.875 100.6 65.7 -52.4 -34.1 -40.0 36.4 2.6 272 12 B R H 3X S+ 0 0 57 -4,-2.1 4,-1.4 1,-0.2 5,-0.3 0.933 100.0 55.2 -51.2 -41.9 -38.2 33.2 2.0 273 13 B L H XX S+ 0 0 2 -3,-1.4 4,-1.9 -4,-0.8 3,-0.6 0.911 108.1 41.0 -61.0 -57.1 -37.8 33.1 5.8 274 14 B F H 3< S+ 0 0 1 -4,-1.0 11,-0.5 1,-0.2 -1,-0.2 0.937 115.7 54.6 -55.2 -44.5 -41.3 33.4 7.0 275 15 B D H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.734 125.9 16.4 -67.1 -23.3 -42.4 31.1 4.2 276 16 B T H << S+ 0 0 10 -4,-1.4 2,-0.6 -3,-0.6 -3,-0.2 0.764 108.5 70.5-117.4 -53.1 -40.0 28.3 5.2 277 17 B V < + 0 0 12 -4,-1.9 8,-0.6 -5,-0.3 -1,-0.2 -0.696 62.2 116.1 -74.0 121.3 -38.6 28.6 8.7 278 18 B Y - 0 0 55 -2,-0.6 4,-0.1 6,-0.2 51,-0.0 -0.844 60.4 -84.8-179.8 153.9 -41.2 28.0 11.4 279 19 B P > - 0 0 14 0, 0.0 3,-0.8 0, 0.0 183,-0.1 -0.099 47.9 -81.3 -76.6 160.7 -41.6 25.3 14.2 280 20 B P T 3 S+ 0 0 20 0, 0.0 3,-0.1 0, 0.0 201,-0.1 -0.024 105.2 20.2 -51.8 151.3 -43.2 21.8 14.3 281 21 B G T 3 S+ 0 0 53 1,-0.1 2,-0.3 195,-0.1 196,-0.0 0.577 113.3 66.6 64.9 16.2 -46.9 21.2 14.6 282 22 B R S < S- 0 0 90 -3,-0.8 -1,-0.1 1,-0.2 -4,-0.0 -0.934 81.9 -86.1-154.7 176.8 -48.0 24.6 13.4 283 23 B G - 0 0 37 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.131 58.9 -77.8 -73.5-166.6 -48.2 27.1 10.5 284 24 B P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.342 61.7 -73.8 -91.4 177.7 -45.5 29.6 9.6 285 25 B H - 0 0 12 -8,-0.6 -8,-0.0 -11,-0.5 2,-0.0 -0.596 45.3-134.9 -81.5 128.7 -44.8 32.8 11.5 286 26 B T > - 0 0 75 -2,-0.4 4,-0.9 1,-0.1 -1,-0.1 -0.275 25.6-108.8 -68.1 162.8 -47.2 35.6 11.0 287 27 B S H > S+ 0 0 31 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.909 118.7 43.7 -63.0 -39.8 -45.9 39.1 10.4 288 28 B A H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.815 96.1 72.2 -78.0 -30.9 -47.0 40.3 13.8 289 29 B E H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 103.3 50.0 -48.7 -33.6 -45.8 37.2 15.8 290 30 B V H X S+ 0 0 0 -4,-0.9 4,-1.6 -3,-0.4 -1,-0.2 0.890 107.1 46.6 -78.0 -44.8 -42.5 38.8 15.0 291 31 B I H X S+ 0 0 45 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.901 117.1 47.7 -64.8 -37.5 -42.9 42.4 16.1 292 32 B A H >X S+ 0 0 33 -4,-2.8 4,-2.6 2,-0.2 3,-1.1 0.970 113.3 45.1 -64.7 -55.0 -44.5 41.1 19.3 293 33 B A H 3X S+ 0 0 36 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.787 112.1 55.2 -58.6 -25.7 -41.7 38.6 20.0 294 34 B L H 3<>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 -1,-0.3 0.753 108.4 48.1 -79.3 -24.1 -39.3 41.4 19.1 295 35 B K H X<5S+ 0 0 126 -3,-1.1 3,-2.7 -4,-1.1 -2,-0.2 0.905 106.1 55.2 -77.8 -45.1 -40.9 43.6 21.7 296 36 B A H 3<5S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.726 105.9 53.4 -64.5 -19.7 -40.8 40.9 24.4 297 37 B E T 3<5S- 0 0 75 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.353 129.5-101.3 -94.3 4.2 -37.1 40.7 23.8 298 38 B G T < 5S+ 0 0 71 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.777 81.5 123.8 87.2 29.1 -36.9 44.4 24.3 299 39 B I < - 0 0 59 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.2 -0.949 48.4-144.7-127.6 116.3 -36.7 45.7 20.7 300 40 B T + 0 0 136 -2,-0.5 2,-0.3 -5,-0.1 -8,-0.1 -0.462 25.8 164.7 -71.5 142.7 -39.1 48.2 19.1 301 41 B M - 0 0 30 -2,-0.1 -7,-0.1 -10,-0.1 -6,-0.1 -0.894 36.5-114.8-151.5 140.0 -40.0 47.8 15.5 302 42 B S - 0 0 69 -2,-0.3 4,-0.5 1,-0.1 5,-0.0 -0.283 13.1-141.1 -63.6 150.8 -42.8 49.3 13.5 303 43 B A S > S+ 0 0 58 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.885 104.0 46.3 -71.9 -46.8 -45.5 47.0 12.1 304 44 B P H > S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.642 107.2 57.1 -71.8 -16.9 -45.7 49.0 8.8 305 45 B Y H > S+ 0 0 57 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.783 109.5 47.9 -78.5 -28.0 -42.0 49.2 8.5 306 46 B L H > S+ 0 0 0 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.959 112.9 44.7 -73.0 -48.7 -42.1 45.5 8.6 307 47 B S H X S+ 0 0 62 -4,-2.5 4,-2.5 2,-0.2 6,-0.3 0.929 115.0 52.3 -59.5 -40.2 -44.9 45.2 6.0 308 48 B Q H X>S+ 0 0 76 -4,-1.8 4,-0.9 2,-0.2 6,-0.8 0.980 113.2 41.0 -58.1 -58.4 -43.0 47.8 4.0 309 49 B L H ><5S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.914 117.0 49.4 -52.0 -48.7 -39.7 45.9 4.0 310 50 B R H 3<5S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.2 -39,-0.2 0.874 112.4 47.4 -61.5 -40.4 -41.4 42.6 3.5 311 51 B S H 3<5S- 0 0 88 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.495 113.3-112.6 -84.5 -6.5 -43.5 43.9 0.5 312 52 B G T <<5S+ 0 0 47 -4,-0.9 -3,-0.1 -3,-0.9 -4,-0.1 0.165 82.7 123.0 96.9 -17.6 -40.6 45.6 -1.3 313 53 B N S -A 56 0A 38 -262,-0.2 4,-0.9 1,-0.1 -262,-0.2 -0.164 41.2-115.4 -65.2 157.8 -30.6 49.5 9.0 319 59 B G H >> S+ 0 0 18 -264,-0.8 4,-1.2 1,-0.2 3,-0.9 0.971 119.1 38.5 -57.7 -51.1 -27.6 47.3 9.9 320 60 B A H 3> S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.811 101.6 72.8 -74.2 -28.2 -29.2 46.2 13.1 321 61 B T H 3> S+ 0 0 22 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.788 102.9 45.0 -54.1 -29.1 -32.7 46.0 11.5 322 62 B M H X S+ 0 0 0 -4,-0.8 4,-1.2 -3,-0.5 3,-0.7 0.794 110.6 61.3 -81.3 -33.2 -34.9 39.6 12.3 326 66 B A H 3<>S+ 0 0 2 -4,-2.4 5,-2.6 1,-0.3 3,-0.4 0.915 106.4 46.2 -62.9 -41.6 -32.1 37.2 11.7 327 67 B N T 3<5S+ 0 0 78 -4,-2.2 -1,-0.3 3,-0.2 -2,-0.2 0.576 101.4 67.4 -80.9 -5.5 -32.0 36.2 15.3 328 68 B F T <45S+ 0 0 5 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 111.8 32.7 -76.1 -35.3 -35.8 35.9 15.4 329 69 B F T <5S- 0 0 5 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.395 119.0-120.0 -94.3 -3.6 -35.6 32.9 13.1 330 70 B R T 5 + 0 0 67 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.870 70.0 123.1 66.4 40.1 -32.3 32.1 14.8 331 71 B I < - 0 0 14 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.923 68.9 -86.3-121.6 159.2 -30.0 32.3 11.7 332 72 B K > - 0 0 83 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.160 28.4-126.1 -62.4 153.2 -26.9 34.5 11.2 333 73 B A T >> S+ 0 0 15 1,-0.3 4,-1.6 2,-0.2 3,-1.4 0.674 103.5 80.8 -73.0 -17.3 -27.4 38.0 9.8 334 74 B A H 3> S+ 0 0 1 1,-0.3 4,-0.5 2,-0.2 8,-0.3 0.800 72.9 78.4 -55.3 -29.2 -24.9 37.1 7.2 335 75 B Y H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.915 104.2 33.4 -46.8 -45.4 -27.8 35.4 5.4 336 76 B F H <4 S+ 0 0 11 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.925 132.1 29.8 -78.2 -45.4 -28.8 38.8 4.3 337 77 B T H < S+ 0 0 36 -4,-1.6 2,-0.3 1,-0.1 -3,-0.2 0.982 105.6 69.0 -80.4 -64.0 -25.4 40.5 3.9 338 78 B D X - 0 0 22 -4,-0.5 4,-1.3 1,-0.2 -1,-0.1 -0.401 60.2-164.4 -63.4 121.8 -23.0 37.7 2.9 339 79 B D H > S+ 0 0 62 -2,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.825 87.8 54.2 -79.7 -25.5 -23.9 36.4 -0.6 340 80 B E H >> S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 3,-0.5 1.000 107.4 44.1 -66.0 -69.3 -21.8 33.3 0.1 341 81 B Y H 3> S+ 0 0 24 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.801 106.5 65.5 -48.0 -33.8 -23.3 32.1 3.3 342 82 B Y H >X S+ 0 0 13 -4,-1.3 3,-1.0 -8,-0.3 4,-0.9 0.984 106.5 39.8 -49.0 -65.0 -26.7 32.8 1.7 343 83 B E H XX S+ 0 0 95 -4,-1.4 3,-1.8 -3,-0.5 4,-1.4 0.923 112.2 55.9 -48.6 -55.0 -26.1 30.1 -0.9 344 84 B K H 3< S+ 0 0 113 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.771 118.0 36.4 -50.4 -32.4 -24.5 27.7 1.6 345 85 B L H > S+ 0 0 57 2,-0.2 4,-2.0 -5,-0.2 3,-0.5 0.938 98.8 45.0 -60.8 -59.8 -31.2 24.1 3.4 349 89 B L H 3X S+ 0 0 2 -4,-1.1 4,-2.7 1,-0.3 5,-0.3 0.878 109.7 59.6 -57.8 -35.4 -34.5 25.8 3.4 350 90 B Q H 3X S+ 0 0 105 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.918 105.1 51.2 -54.5 -42.4 -35.1 24.0 0.1 351 91 B W H S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.804 93.4 58.5 -72.2 -32.9 -46.5 14.9 1.8 359 99 B G H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.985 106.6 47.9 -56.4 -57.3 -45.7 13.1 -1.4 360 100 B V H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 112.9 53.6 -50.5 -42.1 -42.0 13.0 -0.7 361 101 B R H X S+ 0 0 35 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.977 106.8 45.3 -57.4 -64.5 -43.0 11.8 2.7 362 102 B R H X S+ 0 0 118 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.898 115.7 51.4 -51.9 -42.1 -45.2 8.8 1.8 363 103 B I H >X S+ 0 0 4 -4,-2.7 4,-2.1 -5,-0.2 3,-1.5 0.989 111.0 44.0 -52.9 -67.3 -42.5 7.8 -0.7 364 104 B A H 3X S+ 0 0 5 -4,-2.8 4,-0.8 1,-0.3 -2,-0.2 0.831 106.6 61.2 -53.2 -36.6 -39.5 7.9 1.7 365 105 B Q H 3< S+ 0 0 124 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.865 112.0 39.0 -60.9 -34.9 -41.4 6.1 4.4 366 106 B R H << S+ 0 0 78 -3,-1.5 -2,-0.2 -4,-1.2 -1,-0.2 0.770 110.6 56.6 -84.0 -31.2 -41.8 3.1 2.1 367 107 B A H >< S+ 0 0 0 -4,-2.1 3,-1.0 -5,-0.1 2,-0.4 0.494 89.3 97.8 -75.7 -6.7 -38.3 3.3 0.6 368 108 B H T 3< S+ 0 0 102 -4,-0.8 118,-0.0 -5,-0.3 -3,-0.0 -0.752 79.4 35.4 -79.4 135.7 -37.2 3.0 4.1 369 109 B G T 3 S+ 0 0 56 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.447 94.5 129.4 93.2 7.9 -36.3 -0.6 4.9 370 110 B L < - 0 0 12 -3,-1.0 -1,-0.3 1,-0.1 5,-0.1 -0.880 58.6-118.2-105.6 133.1 -35.0 -0.8 1.4 371 111 B P > - 0 0 59 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.136 27.7-105.4 -63.6 159.3 -31.5 -2.2 0.5 372 112 B S H > S+ 0 0 110 1,-0.2 4,-1.0 2,-0.2 -2,-0.0 0.897 114.9 40.8 -62.7 -45.8 -28.8 -0.2 -1.3 373 113 B A H > S+ 0 0 62 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.870 117.0 51.5 -66.0 -37.8 -28.8 -1.6 -4.8 374 114 B A H > S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.775 101.5 59.2 -75.5 -30.7 -32.6 -1.7 -4.8 375 115 B Q H X S+ 0 0 30 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.848 101.7 58.8 -66.2 -32.5 -32.9 1.9 -3.7 376 116 B Q H X S+ 0 0 90 -4,-1.0 4,-1.5 2,-0.2 5,-0.2 0.967 99.3 52.3 -59.9 -57.5 -31.0 2.8 -6.9 377 117 B K H X S+ 0 0 105 -4,-1.3 4,-2.3 1,-0.2 3,-0.3 0.884 112.3 50.6 -49.9 -39.2 -33.4 1.3 -9.3 378 118 B V H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.981 108.7 47.5 -58.6 -59.5 -36.1 3.3 -7.5 379 119 B L H X S+ 0 0 33 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.584 111.1 54.0 -67.5 -8.8 -34.2 6.6 -7.7 380 120 B D H X S+ 0 0 67 -4,-1.5 4,-1.6 -3,-0.3 3,-0.4 0.860 102.8 54.4 -84.3 -45.1 -33.6 6.0 -11.4 381 121 B R H X S+ 0 0 67 -4,-2.3 4,-1.9 1,-0.2 3,-0.4 0.902 106.0 56.4 -48.4 -40.6 -37.3 5.4 -12.1 382 122 B I H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.902 105.8 49.1 -60.3 -40.4 -37.6 8.8 -10.5 383 123 B D H X S+ 0 0 43 -4,-0.6 4,-2.0 -3,-0.4 -1,-0.2 0.701 107.3 53.8 -77.1 -19.1 -35.2 10.4 -13.0 384 124 B E H X S+ 0 0 101 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.811 111.5 46.0 -80.1 -30.9 -37.0 8.8 -16.0 385 125 B L H < S+ 0 0 14 -4,-1.9 6,-0.2 -5,-0.2 -2,-0.2 0.829 113.3 49.3 -76.4 -31.5 -40.2 10.4 -14.8 386 126 B R H ><>S+ 0 0 42 -4,-2.0 6,-2.0 -5,-0.2 3,-1.4 0.942 113.6 46.5 -65.0 -49.1 -38.4 13.6 -14.2 387 127 B R H ><5S+ 0 0 154 -4,-2.0 3,-1.2 1,-0.3 6,-0.3 0.936 114.4 48.1 -55.1 -46.1 -37.0 13.4 -17.7 388 128 B A T 3<5S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.312 104.7 60.9 -83.8 2.9 -40.4 12.5 -19.1 389 129 B E T < 5S- 0 0 83 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.464 109.8-113.6-100.2 -4.6 -42.1 15.3 -17.3 390 130 B G T < 5S+ 0 0 63 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.628 96.8 104.1 72.8 9.2 -40.2 18.2 -18.9 391 131 B I S > - 0 0 98 -2,-0.4 4,-1.9 1,-0.2 3,-1.3 -0.257 26.0-132.0 -53.6 130.5 -40.2 10.8 31.9 398 6 C F H 3> S+ 0 0 31 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.875 107.6 68.6 -51.5 -38.7 -40.3 14.5 31.3 399 7 C A H 3> S+ 0 0 19 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.898 106.3 38.6 -47.6 -42.6 -36.6 14.4 31.6 400 8 C A H <> S+ 0 0 41 -3,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.851 108.5 61.4 -79.6 -34.8 -36.6 12.4 28.3 401 9 C R H X S+ 0 0 8 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.754 106.1 50.1 -61.1 -24.7 -39.4 14.5 26.7 402 10 C L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.917 107.4 49.5 -78.8 -48.1 -37.1 17.5 27.1 403 11 C N H X S+ 0 0 36 -4,-1.4 4,-2.5 -5,-0.2 5,-0.2 0.809 101.7 66.1 -64.4 -27.0 -34.0 15.9 25.5 404 12 C R H >X S+ 0 0 61 -4,-2.0 4,-1.8 2,-0.2 3,-0.6 0.996 107.2 40.2 -47.9 -67.0 -36.3 14.8 22.6 405 13 C L H >X S+ 0 0 3 -4,-1.1 4,-1.6 1,-0.3 3,-1.0 0.925 112.3 55.3 -48.6 -55.5 -36.7 18.5 21.8 406 14 C F H 3< S+ 0 0 2 -4,-2.5 11,-0.8 1,-0.3 -1,-0.3 0.862 116.1 37.0 -50.0 -41.1 -33.1 19.4 22.4 407 15 C D H << S+ 0 0 93 -4,-2.5 -1,-0.3 -3,-0.6 -2,-0.2 0.599 126.4 33.9 -92.3 -12.8 -31.9 16.8 20.0 408 16 C T H << S+ 0 0 9 -4,-1.8 2,-0.7 -3,-1.0 -3,-0.2 0.828 105.9 63.5-105.2 -55.5 -34.6 17.0 17.3 409 17 C V < + 0 0 20 -4,-1.6 8,-0.4 -5,-0.3 -1,-0.2 -0.692 63.5 131.1 -79.2 111.8 -35.7 20.7 17.1 410 18 C Y - 0 0 74 -2,-0.7 -3,-0.0 6,-0.1 4,-0.0 -0.951 55.7 -92.3-148.0 163.9 -33.0 23.2 16.0 411 19 C P > - 0 0 18 0, 0.0 3,-0.7 0, 0.0 2,-0.1 -0.251 50.5 -87.9 -76.2 173.7 -32.7 26.0 13.5 412 20 C P T 3 S+ 0 0 16 0, 0.0 3,-0.1 0, 0.0 -67,-0.0 -0.468 106.1 32.5 -77.2 149.6 -31.4 25.5 9.9 413 21 C G T 3 S+ 0 0 22 1,-0.3 2,-0.3 -2,-0.1 -67,-0.0 0.600 114.7 50.3 84.6 12.4 -27.7 25.8 9.1 414 22 C R S < S- 0 0 96 -3,-0.7 -1,-0.3 1,-0.1 3,-0.1 -0.919 79.4 -92.6-160.3-173.1 -26.5 24.4 12.4 415 23 C G - 0 0 31 -2,-0.3 -1,-0.1 1,-0.2 -8,-0.0 0.019 61.3 -45.4 -97.3-158.6 -26.7 21.6 15.0 416 24 C P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.260 67.3 -90.3 -75.0 163.2 -28.8 21.1 18.2 417 25 C H - 0 0 15 -11,-0.8 2,-0.1 -8,-0.4 -8,-0.0 -0.519 36.5-127.0 -76.2 130.7 -29.2 23.8 20.9 418 26 C T > - 0 0 79 -2,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.450 22.2-117.3 -75.0 155.3 -26.7 24.0 23.8 419 27 C S H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.872 115.1 49.1 -60.9 -35.3 -28.1 24.0 27.3 420 28 C A H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.780 97.3 66.1 -76.4 -29.8 -26.7 27.5 27.9 421 29 C E H > S+ 0 0 62 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.947 105.1 49.7 -49.4 -50.3 -28.1 29.0 24.7 422 30 C V H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 3,-0.2 0.960 109.9 45.9 -53.2 -63.9 -31.4 28.3 26.3 423 31 C I H X S+ 0 0 27 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.912 115.0 48.7 -49.5 -47.9 -30.8 29.9 29.7 424 32 C A H X S+ 0 0 59 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.871 110.5 50.7 -64.6 -37.1 -29.2 33.0 28.1 425 33 C A H X S+ 0 0 26 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.894 109.8 50.5 -65.2 -45.3 -32.2 33.3 25.7 426 34 C L H X>S+ 0 0 0 -4,-2.7 5,-1.4 2,-0.2 4,-1.2 0.957 108.3 52.5 -52.8 -55.1 -34.6 33.1 28.6 427 35 C K H ><5S+ 0 0 150 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.908 106.7 54.5 -49.5 -45.5 -32.6 35.8 30.4 428 36 C A H 3<5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.928 105.1 51.7 -53.2 -51.0 -33.0 37.9 27.2 429 37 C E H 3<5S- 0 0 53 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.707 125.2-105.4 -58.1 -22.1 -36.7 37.5 27.3 430 38 C G T <<5S+ 0 0 60 -4,-1.2 -3,-0.2 -3,-1.0 2,-0.2 0.231 85.2 119.2 109.5 -13.8 -36.6 38.7 31.0 431 39 C I < - 0 0 71 -5,-1.4 -1,-0.5 -6,-0.2 2,-0.4 -0.558 51.0-145.8 -81.8 152.8 -37.2 35.3 32.5 432 40 C T + 0 0 115 -2,-0.2 2,-0.3 -3,-0.1 -8,-0.1 -0.972 26.9 150.2-131.9 134.4 -34.7 33.7 34.7 433 41 C M - 0 0 22 -2,-0.4 2,-0.4 -10,-0.2 -6,-0.1 -0.942 38.4-110.8-149.9 164.3 -33.5 30.1 35.4 434 42 C S >> - 0 0 49 -2,-0.3 4,-2.7 1,-0.1 3,-0.7 -0.881 10.5-138.8-110.3 134.6 -30.3 28.4 36.5 435 43 C A H 3> S+ 0 0 47 -2,-0.4 4,-2.7 1,-0.3 5,-0.3 0.840 108.6 56.0 -55.2 -37.6 -28.2 26.2 34.3 436 44 C P H 3> S+ 0 0 85 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.882 110.3 45.9 -58.5 -38.9 -27.7 23.8 37.3 437 45 C Y H <> S+ 0 0 50 -3,-0.7 4,-2.2 2,-0.2 3,-0.3 0.986 116.1 43.6 -67.1 -58.0 -31.5 23.6 37.5 438 46 C L H >X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.3 3,-1.1 0.958 115.6 46.6 -49.0 -63.9 -32.0 23.0 33.8 439 47 C S H 3X S+ 0 0 63 -4,-2.7 4,-1.8 1,-0.3 -1,-0.3 0.796 111.1 56.3 -51.5 -29.3 -29.2 20.5 33.5 440 48 C Q H 3X>S+ 0 0 51 -4,-1.1 4,-2.1 -5,-0.3 5,-1.8 0.897 104.1 51.8 -70.7 -40.4 -30.6 19.0 36.6 441 49 C L H <<5S+ 0 0 1 -4,-2.2 -2,-0.2 -3,-1.1 -1,-0.2 0.841 113.1 43.4 -60.6 -41.4 -34.0 18.5 34.9 442 50 C R H <5S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.801 111.5 54.5 -76.0 -33.1 -32.5 16.8 31.9 443 51 C S H <5S- 0 0 74 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.903 113.1-121.8 -65.1 -40.6 -30.2 14.7 34.1 444 52 C G T <5S+ 0 0 34 -4,-2.1 -3,-0.2 2,-0.1 -4,-0.1 0.576 80.1 118.2 104.8 14.5 -33.2 13.5 36.0 445 53 C N S - 0 0 68 1,-0.2 4,-2.4 2,-0.0 5,-0.3 -0.214 30.7-125.6 -61.0 144.2 -43.2 24.4 37.7 451 59 C G H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.736 116.2 53.7 -57.6 -20.1 -46.1 25.1 35.4 452 60 C A H > S+ 0 0 70 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.828 105.8 45.9 -84.0 -39.9 -44.0 28.2 34.8 453 61 C T H > S+ 0 0 26 2,-0.2 4,-1.4 -3,-0.2 5,-0.2 0.909 109.8 56.2 -71.9 -40.6 -40.7 26.7 33.9 454 62 C M H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.882 110.1 46.9 -51.7 -39.2 -42.5 24.2 31.5 455 63 C A H X S+ 0 0 47 -4,-0.6 4,-1.9 -5,-0.3 -1,-0.2 0.919 107.0 55.9 -70.0 -41.4 -43.9 27.3 29.9 456 64 C A H < S+ 0 0 7 -4,-1.9 4,-0.2 2,-0.2 -1,-0.2 0.704 114.8 40.5 -67.3 -19.5 -40.6 29.1 29.7 457 65 C L H >X S+ 0 0 2 -4,-1.4 4,-2.0 -3,-0.2 3,-1.5 0.898 110.8 52.4 -88.6 -59.2 -39.2 26.1 27.8 458 66 C A H 3<>S+ 0 0 3 -4,-2.5 5,-2.4 1,-0.3 -2,-0.2 0.763 111.3 50.5 -49.6 -28.0 -42.0 25.3 25.5 459 67 C N T 3<5S+ 0 0 74 -4,-1.9 -1,-0.3 3,-0.2 -2,-0.1 0.680 107.7 50.9 -86.9 -18.0 -42.1 28.9 24.3 460 68 C F T <45S+ 0 0 5 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.758 113.9 45.2 -81.9 -28.7 -38.4 29.1 23.6 461 69 C F T <5S- 0 0 5 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.369 112.1-131.1 -88.3 0.5 -38.8 25.9 21.6 462 70 C R T 5 + 0 0 65 -5,-0.3 -3,-0.2 1,-0.2 2,-0.2 0.725 66.8 117.2 53.0 30.1 -41.9 27.6 20.1 463 71 C I S - 0 0 135 -2,-0.2 3,-1.0 1,-0.1 4,-0.2 -0.647 27.8-135.0 -83.8 147.4 -47.2 24.0 22.8 465 73 C A T >> S+ 0 0 38 -2,-0.3 3,-1.8 1,-0.3 4,-1.0 0.743 98.0 80.7 -75.1 -20.3 -46.6 23.2 26.5 466 74 C A H 3> S+ 0 0 34 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.600 74.8 80.3 -60.7 -8.6 -49.2 20.4 26.3 467 75 C Y H <4 S+ 0 0 1 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.956 98.5 37.0 -59.0 -46.9 -46.3 18.6 24.8 468 76 C F H <4 S+ 0 0 14 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.758 129.4 31.4 -77.4 -32.4 -45.0 17.9 28.3 469 77 C T H < S+ 0 0 88 -4,-1.0 2,-0.2 -71,-0.0 -3,-0.2 0.911 104.8 66.2 -93.6 -57.7 -48.3 17.4 30.0 470 78 C D < - 0 0 58 -4,-1.0 4,-0.2 1,-0.1 -1,-0.0 -0.476 61.4-156.7 -72.1 135.8 -50.8 15.9 27.5 471 79 C D S > S+ 0 0 85 -2,-0.2 4,-1.0 2,-0.1 -1,-0.1 0.622 89.2 50.4 -86.6 -15.4 -50.0 12.3 26.4 472 80 C E H >> S+ 0 0 136 2,-0.2 4,-2.9 3,-0.1 3,-0.8 0.957 108.8 43.7 -87.0 -65.1 -51.9 12.6 23.2 473 81 C Y H 3> S+ 0 0 44 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.755 112.8 63.3 -51.4 -21.6 -50.8 15.8 21.6 474 82 C Y H 3> S+ 0 0 22 -8,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.930 108.3 34.0 -71.8 -47.4 -47.4 14.4 22.7 475 83 C E H < S+ 0 0 35 -4,-2.2 3,-1.4 2,-0.2 4,-0.5 0.973 107.8 54.4 -76.2 -60.8 -35.3 12.4 12.0 486 94 C T H >< S+ 0 0 59 -4,-1.5 3,-0.7 1,-0.3 6,-0.2 0.831 110.5 53.7 -47.4 -32.6 -36.0 9.3 9.8 487 95 C M H 3< S+ 0 0 4 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.796 89.6 66.7 -74.2 -32.9 -35.6 11.5 6.8 488 96 C R T << S+ 0 0 85 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.500 79.6 113.3 -78.2 3.0 -32.2 13.2 7.3 489 97 C D S < S- 0 0 80 -3,-0.7 4,-0.3 -4,-0.5 -3,-0.0 -0.209 73.2-127.9 -58.8 160.9 -30.9 9.7 6.8 490 98 C D S >> S+ 0 0 100 2,-0.2 4,-1.4 3,-0.1 3,-0.8 0.918 96.8 60.4 -86.7 -55.5 -28.8 9.4 3.6 491 99 C G H 3> S+ 0 0 15 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.872 119.5 36.0 -43.1 -39.4 -30.2 6.5 1.5 492 100 C V H 3> S+ 0 0 6 -6,-0.2 4,-2.4 2,-0.2 5,-0.3 0.642 103.5 71.3 -87.9 -19.7 -33.4 8.4 1.5 493 101 C R H <> S+ 0 0 64 -3,-0.8 4,-2.1 -4,-0.3 5,-0.2 0.985 98.3 49.4 -62.8 -53.9 -32.0 12.0 1.3 494 102 C R H X S+ 0 0 129 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.884 118.0 37.4 -50.2 -52.5 -30.9 11.6 -2.2 495 103 C I H X S+ 0 0 2 -4,-0.6 4,-1.3 -5,-0.3 -1,-0.2 0.859 111.4 56.4 -74.7 -38.8 -34.1 10.2 -3.6 496 104 C A H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.859 106.3 55.4 -61.8 -32.9 -36.5 12.3 -1.6 497 105 C Q H >< S+ 0 0 89 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.2 0.917 110.0 43.0 -63.9 -43.3 -34.8 15.3 -3.0 498 106 C R H 3< S+ 0 0 85 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.590 105.6 65.8 -81.2 -10.9 -35.3 14.2 -6.6 499 107 C A H >< S+ 0 0 2 -4,-1.3 3,-1.5 -5,-0.1 -1,-0.2 0.762 77.1 102.2 -79.3 -25.9 -38.9 13.2 -5.8 500 108 C H T << S+ 0 0 65 -4,-0.8 -146,-0.1 -3,-0.5 -3,-0.0 -0.332 81.7 23.1 -62.2 133.8 -40.1 16.8 -5.1 501 109 C G T 3 S+ 0 0 50 1,-0.4 -1,-0.2 -2,-0.0 -2,-0.1 0.269 78.4 133.0 98.0 -13.3 -42.0 18.4 -7.9 502 110 C L S < S- 0 0 4 -3,-1.5 -1,-0.4 1,-0.1 5,-0.2 -0.608 71.3-103.4 -66.1 124.5 -43.3 15.4 -9.7 503 111 C P >> - 0 0 60 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.164 32.5-109.7 -47.0 145.5 -47.0 16.0 -10.3 504 112 C S H 3> S+ 0 0 100 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.561 119.8 61.8 -63.5 -6.4 -49.0 14.0 -7.8 505 113 C A H 3> S+ 0 0 77 2,-0.2 4,-0.8 3,-0.1 -1,-0.3 0.883 106.8 41.1 -77.7 -45.9 -50.0 11.9 -10.8 506 114 C A H <> S+ 0 0 4 -3,-1.1 4,-1.2 1,-0.2 3,-0.5 0.877 105.4 64.9 -72.4 -39.8 -46.4 10.8 -11.6 507 115 C Q H >X S+ 0 0 14 -4,-2.2 4,-2.1 1,-0.2 3,-1.0 0.905 94.6 61.9 -47.6 -43.8 -45.6 10.3 -8.0 508 116 C Q H 3X S+ 0 0 94 -4,-0.6 4,-2.3 1,-0.3 3,-0.3 0.926 98.1 54.5 -50.4 -51.0 -48.1 7.5 -7.9 509 117 C K H 3X S+ 0 0 119 -4,-0.8 4,-2.2 -3,-0.5 -1,-0.3 0.787 107.1 52.6 -55.6 -30.6 -46.2 5.5 -10.6 510 118 C V H X S+ 0 0 64 -4,-2.2 4,-1.2 -5,-0.2 3,-1.1 0.969 105.7 52.6 -47.1 -62.0 -42.6 1.0 -8.6 514 122 C I H >X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 3,-0.6 0.901 104.0 55.6 -43.6 -52.5 -41.4 0.8 -5.1 515 123 C D H 3X S+ 0 0 59 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.867 97.7 64.3 -52.0 -36.0 -43.8 -2.0 -4.2 516 124 C E H <>S+ 0 0 64 -4,-2.7 3,-1.4 1,-0.2 5,-1.3 0.976 111.7 43.8 -44.6 -63.4 -40.7 -4.4 -1.8 519 127 C R H ><5S+ 0 0 202 -4,-3.2 3,-2.0 4,-0.3 -2,-0.2 0.870 106.2 61.1 -47.8 -48.4 -42.3 -7.5 -3.1 520 128 C A H 3<5S+ 0 0 77 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.717 107.5 44.6 -59.8 -25.0 -39.1 -8.8 -4.8 521 129 C E T <<5S- 0 0 114 -4,-1.7 -1,-0.3 -3,-1.4 -2,-0.2 0.338 120.3-105.4 -97.1 5.1 -37.3 -8.9 -1.4 522 130 C G T < 5 0 0 66 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.920 360.0 360.0 73.5 47.4 -40.2 -10.6 0.4 523 131 C I < 0 0 120 -5,-1.3 -4,-0.3 -8,-0.1 -5,-0.1 0.404 360.0 360.0-149.2 360.0 -41.4 -7.5 2.3