==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-FEB-10 3LOC . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR RUTR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.V.PATSKOVSKY,A.A.KNAPIK,V.MENNELLA,S.K.BURLEY,W.MINOR,S.C. . 802 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 79.3 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 . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 523 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 5 0 4 8 0 0 1 4 0 0 0 0 4 8 3 0 3 2 0 0 3 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 11 A R 0 0 161 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.7 7.4 53.4 -4.1 2 12 A S > - 0 0 76 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.969 360.0-151.5-130.5 116.3 7.5 51.0 -1.1 3 13 A R H > S+ 0 0 95 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.871 89.2 34.5 -60.0 -55.6 9.5 47.7 -1.5 4 14 A A H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.770 116.7 56.9 -76.1 -25.5 8.0 45.1 0.8 5 15 A V H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.973 105.8 47.6 -66.7 -57.0 4.5 46.5 0.3 6 16 A S H X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.931 113.5 51.4 -46.8 -49.3 4.5 46.1 -3.5 7 17 A A H X S+ 0 0 58 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.858 110.0 46.6 -64.1 -39.8 5.8 42.6 -3.0 8 18 A K H X S+ 0 0 71 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.922 109.5 53.1 -68.8 -44.6 3.1 41.5 -0.5 9 19 A K H X S+ 0 0 90 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.962 113.3 45.3 -54.3 -49.1 0.3 42.9 -2.6 10 20 A K H X S+ 0 0 77 -4,-2.4 4,-2.4 -5,-0.3 5,-0.3 0.913 111.8 51.1 -64.5 -39.5 1.6 40.9 -5.6 11 21 A A H X S+ 0 0 34 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.911 112.6 47.1 -62.7 -39.2 2.1 37.8 -3.4 12 22 A I H X S+ 0 0 0 -4,-3.0 4,-3.4 2,-0.2 -2,-0.2 0.958 112.4 47.9 -68.3 -49.2 -1.5 38.1 -2.2 13 23 A L H X S+ 0 0 22 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.909 115.7 45.4 -59.5 -40.3 -3.1 38.7 -5.7 14 24 A S H X S+ 0 0 69 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.943 114.6 46.7 -69.9 -45.6 -1.2 35.7 -7.1 15 25 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.3 5,-0.3 0.904 113.7 50.8 -59.6 -41.4 -2.0 33.5 -4.1 16 26 A A H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 5,-0.3 0.974 109.8 49.3 -61.8 -50.2 -5.6 34.7 -4.5 17 27 A L H X S+ 0 0 35 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.948 114.7 44.0 -54.2 -57.6 -5.7 33.9 -8.2 18 28 A D H X S+ 0 0 61 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.815 117.4 44.0 -54.3 -40.7 -4.3 30.4 -7.7 19 29 A T H >X S+ 0 0 8 -4,-2.1 4,-2.6 -5,-0.2 3,-0.6 0.917 112.7 49.5 -78.3 -42.9 -6.5 29.5 -4.7 20 30 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 -2,-0.2 0.909 109.1 53.1 -61.6 -39.1 -9.7 30.9 -6.1 21 31 A S H 3< S+ 0 0 18 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.687 114.0 43.1 -76.1 -15.4 -9.3 29.1 -9.4 22 32 A Q H << S+ 0 0 153 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.910 132.5 16.9 -83.2 -53.2 -8.8 25.7 -7.6 23 33 A F H X S- 0 0 109 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.388 98.4-127.3-109.3 -3.5 -11.5 26.0 -4.9 24 34 A G H X - 0 0 28 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 -0.095 42.9 -64.2 76.4 173.6 -13.9 28.7 -6.1 25 35 A F H 4 S+ 0 0 31 1,-0.2 -1,-0.1 2,-0.2 -4,-0.0 0.935 136.3 35.9 -62.8 -51.0 -15.0 31.7 -4.1 26 36 A H H 4 S+ 0 0 159 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.2 0.667 113.6 57.1 -81.6 -21.8 -16.8 29.8 -1.4 27 37 A G H < S+ 0 0 44 -4,-0.7 -3,-0.2 -7,-0.1 -1,-0.2 0.786 95.4 84.9 -77.1 -28.9 -14.4 26.9 -1.3 28 38 A T < - 0 0 0 -4,-1.4 2,-0.3 -5,-0.1 3,-0.1 -0.445 62.7-158.3 -73.3 144.2 -11.6 29.3 -0.6 29 39 A R >> - 0 0 154 -2,-0.1 4,-1.4 1,-0.1 3,-0.5 -0.930 24.2-129.3-117.1 143.8 -10.6 30.5 2.9 30 40 A L H 3> S+ 0 0 22 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.928 109.3 64.5 -58.3 -42.4 -8.6 33.7 3.5 31 41 A E H 3> S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.889 101.0 52.2 -42.9 -46.1 -6.3 31.7 5.8 32 42 A Q H <> S+ 0 0 37 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.944 110.5 45.1 -62.0 -48.9 -5.3 29.7 2.6 33 43 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.953 115.1 48.3 -57.5 -51.6 -4.5 32.7 0.5 34 44 A A H X>S+ 0 0 3 -4,-2.8 5,-2.7 2,-0.2 4,-0.7 0.909 113.5 47.9 -53.1 -48.7 -2.5 34.3 3.4 35 45 A E H ><5S+ 0 0 157 -4,-2.9 3,-1.8 -5,-0.3 -2,-0.2 0.974 112.0 47.6 -57.3 -58.7 -0.7 31.0 4.0 36 46 A L H 3<5S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 114.9 48.6 -53.4 -35.5 0.2 30.5 0.4 37 47 A A H 3<5S- 0 0 18 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.501 110.4-118.8 -85.5 -7.4 1.3 34.2 0.2 38 48 A G T <<5S+ 0 0 70 -3,-1.8 2,-0.3 -4,-0.7 -3,-0.2 0.871 77.2 109.8 67.9 35.0 3.5 34.1 3.4 39 49 A V S - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.471 31.4-113.4 -78.7 164.9 -0.9 36.7 8.2 41 51 A K H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.897 119.0 50.5 -63.9 -41.8 -4.6 36.9 7.7 42 52 A T H > S+ 0 0 93 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.894 109.0 51.2 -61.9 -46.3 -4.7 40.3 9.5 43 53 A N H >> S+ 0 0 39 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.950 109.5 50.3 -55.2 -51.1 -1.9 41.5 7.2 44 54 A L H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-1.1 0.924 103.8 59.7 -53.2 -47.0 -3.9 40.4 4.2 45 55 A L H 3< S+ 0 0 61 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.686 98.1 58.8 -59.5 -23.4 -7.0 42.2 5.5 46 56 A Y H << S+ 0 0 203 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.825 110.9 41.3 -74.6 -34.6 -5.1 45.5 5.4 47 57 A Y H << S+ 0 0 45 -3,-1.1 -2,-0.2 -4,-1.1 -1,-0.1 0.856 137.3 12.5 -75.5 -41.0 -4.5 45.1 1.7 48 58 A F S < S- 0 0 15 -4,-2.6 -1,-0.3 -5,-0.2 6,-0.1 -0.945 70.0-150.1-140.1 119.0 -8.0 43.8 1.1 49 59 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.393 74.7 13.0 -78.1 3.7 -10.7 44.1 3.7 50 60 A S S > S- 0 0 46 1,-0.1 4,-2.1 -20,-0.0 5,-0.2 -0.969 75.1-106.8-165.2 166.9 -12.7 41.0 2.8 51 61 A K H > S+ 0 0 49 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.850 121.4 54.0 -63.4 -36.7 -12.7 37.9 0.7 52 62 A E H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.940 106.7 50.6 -62.7 -48.1 -15.1 39.6 -1.6 53 63 A A H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 110.6 48.3 -58.3 -44.1 -12.8 42.6 -2.1 54 64 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.938 111.7 50.3 -65.1 -42.3 -9.8 40.4 -2.9 55 65 A Y H X S+ 0 0 9 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.878 110.2 48.4 -64.8 -42.3 -11.8 38.4 -5.4 56 66 A I H X S+ 0 0 33 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.917 109.7 56.7 -66.4 -36.5 -13.1 41.4 -7.2 57 67 A A H X S+ 0 0 25 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.925 106.6 45.6 -62.3 -45.9 -9.5 42.7 -7.2 58 68 A V H X S+ 0 0 7 -4,-2.5 4,-1.2 1,-0.2 3,-0.2 0.944 116.7 45.2 -65.8 -39.1 -8.0 39.8 -9.0 59 69 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.839 107.7 58.6 -70.7 -31.0 -10.9 39.7 -11.6 60 70 A R H X S+ 0 0 53 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.853 100.4 59.5 -66.6 -31.3 -10.6 43.5 -12.0 61 71 A Q H X S+ 0 0 90 -4,-1.7 4,-1.7 -3,-0.2 -1,-0.2 0.934 108.7 40.4 -59.9 -52.6 -6.9 43.0 -13.0 62 72 A I H X S+ 0 0 3 -4,-1.2 4,-3.1 1,-0.2 5,-0.2 0.855 111.2 59.3 -69.4 -33.8 -7.7 40.8 -16.0 63 73 A L H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.921 107.8 45.9 -56.4 -42.7 -10.7 43.0 -16.9 64 74 A D H X S+ 0 0 67 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.857 112.7 49.2 -73.6 -34.8 -8.3 46.0 -17.2 65 75 A I H >< S+ 0 0 63 -4,-1.7 3,-0.5 2,-0.2 -2,-0.2 0.968 114.8 45.6 -66.7 -52.8 -5.8 44.1 -19.3 66 76 A W H 3< S+ 0 0 12 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.886 117.4 43.6 -49.2 -45.0 -8.6 42.8 -21.6 67 77 A L H >X S+ 0 0 4 -4,-2.1 4,-2.6 -5,-0.2 3,-0.6 0.652 85.6 93.4 -85.4 -18.0 -10.2 46.2 -21.9 68 78 A A H S+ 0 0 26 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.824 113.2 52.0 -50.6 -38.6 -7.2 48.1 -26.2 70 80 A L H X4 S+ 0 0 0 -3,-0.6 3,-0.7 -4,-0.4 -2,-0.2 0.886 104.9 53.7 -71.8 -38.5 -11.0 48.9 -26.3 71 81 A K H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 -3,-0.5 -3,-0.1 0.860 102.8 62.5 -59.0 -33.9 -10.7 52.0 -24.1 72 82 A A H 3< S+ 0 0 48 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.820 77.9 112.5 -59.2 -35.2 -8.1 53.1 -26.7 73 83 A F << - 0 0 7 -4,-0.8 2,-0.3 -3,-0.7 60,-0.1 -0.089 45.5-178.8 -46.6 134.5 -10.7 53.2 -29.5 74 84 A R > - 0 0 127 59,-0.0 3,-2.0 56,-0.0 -2,-0.0 -0.971 40.2-104.5-135.9 157.0 -11.5 56.7 -30.9 75 85 A E T 3 S+ 0 0 157 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.685 115.8 49.4 -39.9 -38.1 -13.9 58.2 -33.5 76 86 A D T 3 S+ 0 0 123 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.389 83.8 117.9 -95.7 0.8 -11.1 58.8 -36.1 77 87 A F S < S- 0 0 79 -3,-2.0 3,-0.1 1,-0.1 -4,-0.0 -0.360 77.8-106.3 -72.2 148.0 -9.5 55.4 -36.1 78 88 A A > - 0 0 66 1,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.659 37.0-148.9 -71.3 109.6 -9.4 53.1 -39.1 79 89 A P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 89.7 42.0 -58.6 -46.0 -12.1 50.6 -37.9 80 90 A L H > S+ 0 0 36 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.956 114.2 52.6 -60.8 -54.4 -10.8 47.4 -39.6 81 91 A A H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 113.2 45.4 -43.0 -47.0 -7.2 48.2 -38.7 82 92 A A H X S+ 0 0 13 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.861 112.7 47.9 -74.1 -41.0 -8.3 48.7 -35.0 83 93 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.919 109.2 56.3 -64.6 -39.7 -10.4 45.6 -34.8 84 94 A K H X S+ 0 0 64 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.957 111.7 41.9 -53.9 -54.2 -7.5 43.6 -36.4 85 95 A E H X S+ 0 0 103 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.824 108.9 58.6 -66.3 -34.9 -5.2 44.7 -33.7 86 96 A Y H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.932 106.2 49.6 -61.3 -42.8 -7.7 44.2 -30.9 87 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.922 111.0 49.9 -61.0 -45.8 -8.0 40.6 -31.9 88 98 A R H X S+ 0 0 89 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.941 112.6 45.3 -57.2 -53.0 -4.2 40.2 -31.9 89 99 A L H X S+ 0 0 47 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 111.0 54.2 -61.8 -41.8 -3.8 41.8 -28.4 90 100 A K H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.906 109.1 47.5 -60.4 -42.3 -6.7 39.7 -27.0 91 101 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.846 106.5 59.2 -66.8 -35.3 -5.2 36.4 -28.1 92 102 A E H X S+ 0 0 47 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.915 106.6 47.1 -55.4 -42.7 -1.8 37.6 -26.6 93 103 A V H X S+ 0 0 18 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.836 108.1 55.2 -78.0 -28.6 -3.5 37.9 -23.2 94 104 A S H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.875 111.5 46.1 -60.5 -41.2 -5.1 34.4 -23.7 95 105 A R H < S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.936 123.6 32.2 -64.6 -45.4 -1.6 33.2 -24.3 96 106 A D H < S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.722 128.3 30.7 -90.7 -25.3 -0.0 35.0 -21.3 97 107 A Y X + 0 0 114 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 -0.286 65.3 140.7-132.5 49.3 -2.8 35.1 -18.7 98 108 A P H > S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.850 73.3 54.8 -66.9 -32.6 -4.9 32.0 -19.2 99 109 A Q H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.929 109.3 47.8 -65.0 -44.5 -5.4 31.3 -15.5 100 110 A A H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 111.7 51.5 -58.8 -42.2 -6.8 34.8 -15.0 101 111 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.933 107.9 52.1 -62.4 -44.0 -9.0 34.2 -18.0 102 112 A R H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.877 107.0 51.6 -60.3 -40.2 -10.2 30.9 -16.6 103 113 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.912 108.7 51.3 -65.3 -38.6 -11.2 32.5 -13.3 104 114 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.964 110.5 49.6 -62.8 -48.9 -13.2 35.2 -15.1 105 115 A C H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.897 107.4 53.5 -53.2 -45.7 -15.0 32.6 -17.0 106 116 A X H X S+ 0 0 52 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.926 106.4 52.7 -57.9 -46.3 -15.8 30.6 -13.7 107 117 A E H <>S+ 0 0 3 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.879 109.0 51.0 -55.6 -39.3 -17.3 33.7 -12.2 108 118 A X H ><5S+ 0 0 2 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.943 107.6 52.0 -62.4 -48.1 -19.5 33.9 -15.3 109 119 A L H 3<5S+ 0 0 8 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.847 104.4 58.3 -57.7 -29.9 -20.5 30.3 -15.0 110 120 A A T 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.520 127.7 -97.9 -79.8 -1.1 -21.5 31.0 -11.4 111 121 A G T < 5 - 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0 0 24 -4,-2.6 4,-2.3 -5,-0.4 -1,-0.2 0.089 42.0 -63.7 67.3 170.4 0.3 -31.8 -8.0 428 35 C F H 4 S+ 0 0 30 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.909 134.8 34.8 -55.4 -50.7 -1.0 -32.3 -4.4 429 36 C H H 4 S+ 0 0 154 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.941 117.4 50.3 -78.4 -48.9 -3.1 -35.3 -5.1 430 37 C G H < S+ 0 0 47 -4,-0.7 -3,-0.2 -7,-0.1 -1,-0.2 0.809 95.3 90.5 -56.4 -32.9 -1.0 -37.0 -7.7 431 38 C T < - 0 0 1 -4,-2.3 2,-0.4 -5,-0.2 -8,-0.1 -0.394 63.7-156.0 -68.3 140.5 2.1 -36.7 -5.5 432 39 C R >> - 0 0 142 -2,-0.1 4,-1.1 1,-0.1 3,-0.9 -0.928 22.2-126.6-114.9 145.9 3.0 -39.5 -3.1 433 40 C L H 3> S+ 0 0 19 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.792 108.8 61.4 -58.6 -31.3 5.1 -39.0 0.0 434 41 C E H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.843 99.4 56.0 -67.9 -32.5 7.4 -41.9 -1.0 435 42 C Q H <> S+ 0 0 45 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.907 110.4 44.7 -62.8 -39.9 8.3 -39.9 -4.1 436 43 C I H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 5,-0.2 0.965 112.2 50.6 -70.7 -51.6 9.4 -37.0 -2.0 437 44 C A H X>S+ 0 0 3 -4,-2.7 5,-2.7 2,-0.2 4,-0.9 0.903 111.1 49.0 -51.2 -47.1 11.3 -39.1 0.5 438 45 C E H ><5S+ 0 0 168 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.974 113.2 45.8 -60.5 -54.3 13.2 -40.8 -2.2 439 46 C L H 3<5S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 114.0 50.0 -56.1 -36.9 14.2 -37.5 -3.9 440 47 C A H 3<5S- 0 0 16 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.632 114.1-117.7 -77.6 -12.5 15.1 -36.0 -0.6 441 48 C G T <<5S+ 0 0 66 -3,-1.4 2,-0.3 -4,-0.9 -3,-0.2 0.879 76.7 107.3 70.4 40.6 17.3 -39.0 0.4 442 49 C V S - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.556 32.4-117.9 -80.7 154.4 12.9 -42.7 4.4 444 51 C K H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.868 117.2 54.1 -57.6 -40.3 9.1 -42.1 4.4 445 52 C T H > S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.852 108.3 47.7 -67.4 -37.7 9.1 -42.6 8.1 446 53 C N H >> S+ 0 0 46 2,-0.2 3,-1.2 1,-0.2 4,-0.8 0.939 109.2 53.5 -68.9 -45.2 11.7 -40.1 8.7 447 54 C L H >X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 3,-1.3 0.899 104.0 57.3 -51.4 -44.2 9.9 -37.5 6.4 448 55 C L H 3< S+ 0 0 62 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.699 99.0 59.7 -67.6 -21.0 6.8 -38.0 8.6 449 56 C Y H << S+ 0 0 208 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.719 111.4 40.8 -75.1 -21.3 8.8 -37.0 11.7 450 57 C Y H << S+ 0 0 55 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.1 0.814 135.1 14.9 -89.7 -37.3 9.4 -33.7 10.0 451 58 C F S < S- 0 0 14 -4,-2.2 -1,-0.3 -5,-0.2 6,-0.1 -0.950 70.3-150.8-143.5 114.5 6.0 -33.2 8.6 452 59 C P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.487 74.6 13.7 -75.9 -3.7 3.2 -35.4 9.9 453 60 C S S > S- 0 0 43 1,-0.1 4,-1.9 -20,-0.0 5,-0.1 -0.983 73.7-109.2-158.6 163.6 1.1 -35.5 6.7 454 61 C K H > S+ 0 0 52 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.908 119.6 54.2 -61.3 -44.2 1.2 -34.6 3.0 455 62 C E H > S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.949 107.7 49.7 -53.4 -49.5 -1.2 -31.7 3.6 456 63 C A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 111.5 48.4 -62.3 -37.8 1.2 -30.3 6.3 457 64 C L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.941 111.4 50.0 -67.6 -45.3 4.2 -30.6 4.0 458 65 C Y H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 112.1 46.0 -59.6 -47.9 2.3 -28.9 1.1 459 66 C I H X S+ 0 0 32 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.875 110.1 58.0 -64.7 -33.6 1.2 -26.0 3.3 460 67 C A H X S+ 0 0 23 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.940 107.0 44.5 -65.1 -41.5 4.7 -25.8 4.6 461 68 C V H X S+ 0 0 6 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.920 116.2 47.7 -71.9 -34.3 6.3 -25.3 1.1 462 69 C L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.902 108.2 54.5 -70.2 -35.4 3.6 -22.8 0.3 463 70 C R H X S+ 0 0 53 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.857 104.0 57.8 -64.4 -33.4 4.1 -21.0 3.6 464 71 C Q H X S+ 0 0 102 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.947 108.6 42.8 -60.3 -48.8 7.8 -20.7 2.7 465 72 C I H X S+ 0 0 3 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.899 111.5 54.7 -72.3 -35.1 7.2 -18.8 -0.5 466 73 C L H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.934 108.7 50.3 -54.4 -46.5 4.5 -16.6 1.1 467 74 C D H X S+ 0 0 80 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.854 110.7 46.5 -65.1 -40.0 7.0 -15.6 3.7 468 75 C I H < S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.918 115.4 48.1 -65.5 -45.1 9.8 -14.7 1.3 469 76 C W H < S+ 0 0 11 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.803 115.6 44.1 -59.6 -37.1 7.2 -12.7 -0.8 470 77 C L H X S+ 0 0 6 -4,-1.8 4,-3.2 -5,-0.2 5,-0.3 0.721 84.8 89.6 -90.5 -24.1 5.8 -10.9 2.2 471 78 C A H X S+ 0 0 53 -4,-1.7 4,-2.5 1,-0.2 -1,-0.1 0.913 93.1 46.0 -39.7 -56.7 9.0 -9.9 4.1 472 79 C P H 4 S+ 0 0 22 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.942 114.7 45.5 -56.8 -50.2 9.2 -6.6 2.2 473 80 C L H >4 S+ 0 0 0 -4,-0.5 3,-1.2 1,-0.2 -2,-0.2 0.878 111.2 54.6 -59.8 -37.0 5.5 -5.8 2.6 474 81 C K H 3< S+ 0 0 67 -4,-3.2 -1,-0.2 1,-0.2 -3,-0.2 0.949 101.6 59.4 -61.1 -44.0 5.7 -6.7 6.3 475 82 C A T 3< S+ 0 0 51 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.521 76.7 122.7 -65.3 -8.6 8.6 -4.3 6.8 476 83 C F < - 0 0 8 -3,-1.2 2,-0.3 -4,-0.4 60,-0.1 -0.363 43.6-167.1 -60.8 131.1 6.6 -1.3 5.7 477 84 C R > - 0 0 132 -2,-0.1 3,-1.7 59,-0.0 -2,-0.0 -0.910 33.8-108.3-121.3 151.0 6.4 1.4 8.3 478 85 C E T 3 S+ 0 0 91 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.681 115.5 40.7 -36.6 -34.4 4.2 4.5 8.7 479 86 C D T 3 S+ 0 0 124 2,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.339 81.6 122.1-115.8 4.7 7.1 6.9 7.9 480 87 C F S < S- 0 0 82 -3,-1.7 3,-0.1 1,-0.1 -4,-0.0 -0.182 78.4 -99.2 -58.2 158.6 9.0 5.2 5.1 481 88 C A > - 0 0 63 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.799 40.3-151.1 -80.0 108.9 9.4 7.1 1.8 482 89 C P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.828 87.7 46.6 -59.2 -41.4 6.5 5.3 0.0 483 90 C L H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.935 115.3 45.5 -69.1 -45.3 7.8 5.6 -3.5 484 91 C A H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 114.3 51.8 -59.5 -39.8 11.3 4.4 -2.6 485 92 C A H X S+ 0 0 14 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.883 109.7 46.3 -65.9 -43.5 9.7 1.6 -0.5 486 93 C I H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.874 109.8 57.0 -69.2 -33.4 7.4 0.4 -3.4 487 94 C K H X S+ 0 0 99 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 109.3 44.2 -57.0 -50.7 10.5 0.5 -5.7 488 95 C E H X S+ 0 0 98 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.859 111.9 53.8 -66.1 -34.8 12.5 -1.8 -3.4 489 96 C Y H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.934 108.5 48.1 -64.2 -47.8 9.5 -4.1 -3.0 490 97 C I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 113.1 48.8 -60.7 -43.7 9.0 -4.4 -6.8 491 98 C R H X S+ 0 0 60 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.919 111.2 48.8 -64.6 -42.7 12.7 -5.2 -7.2 492 99 C L H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.930 110.4 51.2 -64.6 -42.0 12.7 -7.8 -4.5 493 100 C K H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.910 110.4 50.1 -61.1 -39.2 9.6 -9.4 -5.9 494 101 C L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.908 107.3 53.6 -66.5 -36.8 11.4 -9.6 -9.3 495 102 C E H X S+ 0 0 62 -4,-2.5 4,-2.6 1,-0.2 3,-0.3 0.941 109.4 49.9 -59.1 -39.6 14.4 -11.1 -7.6 496 103 C V H X S+ 0 0 17 -4,-2.3 4,-3.0 1,-0.3 -2,-0.2 0.905 106.1 53.5 -71.1 -38.5 12.1 -13.8 -6.2 497 104 C S H < S+ 0 0 3 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.811 114.2 45.3 -60.1 -28.9 10.5 -14.5 -9.6 498 105 C R H < S+ 0 0 74 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.889 122.8 32.1 -80.5 -43.2 14.1 -15.0 -10.8 499 106 C D H < S+ 0 0 84 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.746 129.5 30.5 -93.0 -23.2 15.4 -17.2 -8.0 500 107 C Y X + 0 0 102 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 -0.353 66.7 142.0-131.8 53.3 12.3 -19.1 -6.9 501 108 C P H > S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.866 73.7 54.7 -65.3 -33.4 10.2 -19.5 -10.0 502 109 C Q H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 106.2 51.1 -68.9 -38.0 9.1 -23.0 -9.1 503 110 C A H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 110.5 51.0 -63.0 -41.3 7.8 -21.9 -5.7 504 111 C S H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 109.1 50.6 -58.6 -47.9 5.8 -19.2 -7.6 505 112 C R H X S+ 0 0 67 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.881 107.7 52.1 -59.5 -38.3 4.4 -21.7 -10.0 506 113 C L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.912 108.9 50.4 -67.8 -39.9 3.2 -24.0 -7.2 507 114 C F H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.919 111.2 49.4 -62.5 -43.2 1.4 -21.1 -5.4 508 115 C C H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.925 107.0 54.5 -63.5 -45.6 -0.3 -20.2 -8.7 509 116 C X H X S+ 0 0 29 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.910 106.2 53.1 -51.3 -45.1 -1.3 -23.9 -9.2 510 117 C E H <>S+ 0 0 4 -4,-2.2 5,-2.6 1,-0.2 -1,-0.2 0.911 109.0 49.8 -58.7 -42.1 -3.0 -23.8 -5.7 511 118 C X H ><5S+ 0 0 1 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.909 106.0 55.0 -62.9 -45.4 -4.9 -20.7 -6.8 512 119 C L H 3<5S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.6 55.1 -58.3 -32.4 -6.1 -22.3 -10.0 513 120 C A T 3<5S- 0 0 68 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.504 129.4 -96.6 -78.7 -4.1 -7.5 -25.2 -8.0 514 121 C G T < 5 - 0 0 33 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.2 0.541 54.3 -89.9 99.7 12.4 -9.6 -22.7 -5.9 515 122 C A S >> S+ 0 0 0 1,-0.2 4,-1.3 -8,-0.1 3,-1.2 0.536 81.5 104.4-100.7 -5.2 -4.4 -22.8 1.4 519 126 C X H >X S+ 0 0 67 -4,-1.7 4,-2.6 1,-0.3 3,-0.6 0.834 77.2 54.9 -45.8 -48.2 -7.7 -20.9 1.9 520 127 C D H 3> S+ 0 0 133 1,-0.3 4,-1.7 -4,-0.2 -1,-0.3 0.882 106.6 51.7 -60.7 -36.4 -7.4 -20.6 5.7 521 128 C E H <4>S+ 0 0 50 -3,-1.2 5,-1.9 1,-0.2 -1,-0.3 0.828 112.0 48.0 -69.3 -26.9 -4.0 -18.9 5.3 522 129 C L H <<>S+ 0 0 0 -4,-1.3 5,-0.9 -3,-0.6 -2,-0.2 0.880 116.4 39.6 -79.0 -39.4 -5.6 -16.5 2.8 523 130 C T H <5S+ 0 0 67 -4,-2.6 -2,-0.2 3,-0.1 -3,-0.2 0.698 124.9 38.0 -83.7 -18.6 -8.7 -15.5 4.9 524 131 C G T X5S+ 0 0 35 -4,-1.7 4,-2.2 -5,-0.3 5,-0.2 0.688 127.2 7.1 -95.4-102.7 -6.7 -15.4 8.2 525 132 C D H >5S+ 0 0 108 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.846 128.5 51.0 -58.1 -43.4 -3.1 -14.1 8.3 526 133 C L H >S+ 0 0 7 -4,-1.9 5,-2.2 2,-0.2 6,-0.6 0.920 113.3 41.8 -52.7 -45.7 0.4 7.8 2.3 541 148 C V H ><5S+ 0 0 41 -4,-1.7 3,-1.1 4,-0.2 -2,-0.2 0.912 115.0 48.6 -76.2 -42.0 -2.5 8.9 0.0 542 149 C K H 3<5S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.939 110.8 50.5 -60.0 -47.6 -4.3 10.9 2.7 543 150 C S T 3<5S- 0 0 73 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.442 122.1-110.8 -75.6 4.4 -1.1 12.7 3.7 544 151 C G T < 5S+ 0 0 46 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.388 85.9 118.8 91.9 -0.5 -0.5 13.5 0.0 545 152 C K S - 0 0 40 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.543 31.1-146.6 -68.6 128.3 -7.0 1.8 -4.1 551 158 C P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.839 93.1 53.8 -66.8 -30.9 -4.3 0.2 -2.0 552 159 C Q H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.930 109.1 46.6 -70.8 -43.5 -5.5 -3.4 -2.6 553 160 C H H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 111.2 53.9 -68.5 -32.4 -5.5 -3.1 -6.3 554 161 C L H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.958 109.6 47.3 -61.9 -48.2 -2.1 -1.5 -6.1 555 162 C I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 110.9 51.0 -61.5 -45.7 -0.9 -4.5 -4.1 556 163 C F H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.834 108.0 54.9 -58.3 -33.0 -2.4 -7.0 -6.5 557 164 C X H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.921 106.2 49.2 -66.4 -44.1 -0.7 -5.1 -9.3 558 165 C I H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 5,-0.3 0.950 116.9 43.8 -61.7 -42.5 2.8 -5.5 -7.7 559 166 C W H X S+ 0 0 11 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.941 116.3 44.6 -64.4 -53.3 2.0 -9.2 -7.3 560 167 C A H X S+ 0 0 6 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.952 115.9 45.3 -57.0 -56.1 0.5 -9.8 -10.7 561 168 C S H < S+ 0 0 1 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.809 119.3 40.8 -67.0 -29.6 3.1 -7.9 -12.7 562 169 C T H >< S+ 0 0 0 -4,-1.6 3,-0.6 -5,-0.3 4,-0.4 0.853 114.8 49.0 -87.3 -36.2 6.1 -9.4 -10.8 563 170 C Q H >X S+ 0 0 4 -4,-2.9 4,-2.9 -5,-0.3 3,-1.2 0.798 97.8 73.8 -70.8 -25.7 4.9 -13.0 -10.6 564 171 C H H 3X S+ 0 0 5 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.854 86.5 61.3 -52.6 -38.1 4.1 -12.9 -14.3 565 172 C Y H <4 S+ 0 0 10 -3,-0.6 15,-0.2 -4,-0.4 -1,-0.2 0.784 116.3 31.5 -71.4 -21.3 7.7 -13.1 -15.2 566 173 C A H X4 S+ 0 0 2 -3,-1.2 3,-2.1 -4,-0.4 -2,-0.2 0.872 122.9 43.6 -89.5 -58.7 8.0 -16.5 -13.5 567 174 C D H 3< S+ 0 0 5 -4,-2.9 149,-0.2 1,-0.3 -3,-0.2 0.834 126.1 33.8 -65.3 -33.8 4.5 -18.0 -14.0 568 175 C F T >X S+ 0 0 11 -4,-2.2 4,-2.3 -5,-0.4 3,-0.8 0.084 80.7 130.0-105.0 22.5 4.3 -16.9 -17.6 569 176 C A H <> + 0 0 25 -3,-2.1 4,-3.2 1,-0.2 5,-0.3 0.875 68.4 55.5 -41.9 -50.7 8.1 -17.4 -18.3 570 177 C P H 3> S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 110.3 46.0 -61.0 -37.0 7.6 -19.5 -21.5 571 178 C Q H <> S+ 0 0 3 -3,-0.8 4,-1.8 2,-0.2 5,-0.3 0.924 111.4 51.3 -65.1 -45.0 5.4 -16.8 -23.0 572 179 C V H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 6,-0.4 0.958 113.7 45.3 -60.0 -45.8 7.9 -14.0 -22.0 573 180 C E H X S+ 0 0 82 -4,-3.2 4,-3.2 1,-0.2 -1,-0.2 0.913 106.8 59.5 -62.1 -43.2 10.7 -15.9 -23.6 574 181 C A H < S+ 0 0 6 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.886 119.1 27.9 -54.6 -39.3 8.7 -16.7 -26.7 575 182 C V H < S+ 0 0 4 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.762 133.6 34.2 -93.3 -24.4 8.2 -13.0 -27.5 576 183 C T H < S- 0 0 31 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.683 89.0-136.6-103.5 -28.8 11.3 -11.6 -25.9 577 184 C G S < S+ 0 0 64 -4,-3.2 2,-0.3 -5,-0.4 -4,-0.2 0.497 75.3 88.6 75.8 6.4 13.8 -14.4 -26.5 578 185 C A - 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