==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-SEP-12 4HBL . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR, MARR FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR X.LIU,X.SUN,J.GAN,L.LAN,C.-G.YANG . 568 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 78.7 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 . 32 5.6 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 . 2 0.4 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 2 3 0 0 0 4 2 3 3 0 0 1 0 1 1 2 0 0 0 0 0 0 0 3 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 5 0 1 2 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 . 2 3 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 -1 A N 0 0 178 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -89.4 48.9 3.3 11.4 2 0 A A > + 0 0 65 2,-0.2 4,-1.3 3,-0.1 5,-0.0 0.747 360.0 49.2-106.4 -33.7 46.2 5.8 12.4 3 1 A X H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.763 108.3 57.4 -75.5 -29.2 46.3 5.7 16.2 4 2 A K H > S+ 0 0 82 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.812 104.9 51.7 -65.9 -35.8 50.1 6.1 16.0 5 3 A Q H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.852 106.3 53.7 -65.9 -39.9 49.4 9.3 14.0 6 4 A E H X S+ 0 0 69 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.915 104.3 55.4 -60.3 -44.6 47.1 10.5 16.8 7 5 A Q H X S+ 0 0 8 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.842 107.6 49.8 -54.9 -39.3 49.9 10.0 19.3 8 6 A X H X S+ 0 0 4 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.881 109.7 50.0 -68.8 -43.2 52.1 12.2 17.2 9 7 A R H X S+ 0 0 118 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.924 115.2 43.6 -61.6 -42.3 49.5 15.0 17.1 10 8 A L H X S+ 0 0 11 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.949 112.4 52.0 -73.3 -46.4 49.0 14.8 20.8 11 9 A A H X S+ 0 0 6 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.872 110.4 49.1 -51.7 -41.0 52.7 14.6 21.6 12 10 A N H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.875 107.4 55.9 -71.2 -36.1 53.4 17.7 19.4 13 11 A Q H X S+ 0 0 62 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.845 110.8 44.4 -57.4 -36.4 50.6 19.6 21.2 14 12 A L H X S+ 0 0 5 -4,-1.6 4,-3.3 2,-0.2 5,-0.2 0.921 113.2 46.8 -77.5 -49.8 52.2 19.0 24.6 15 13 A C H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.861 113.5 50.3 -63.6 -35.9 55.8 19.8 23.7 16 14 A F H X S+ 0 0 45 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.891 115.4 43.3 -66.5 -41.4 54.6 23.0 21.9 17 15 A S H X S+ 0 0 9 -4,-1.5 4,-2.8 -5,-0.2 -2,-0.2 0.892 111.7 53.4 -69.5 -40.7 52.5 23.9 25.0 18 16 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.3 144,-0.2 0.794 106.2 53.8 -66.4 -34.5 55.3 23.0 27.5 19 17 A Y H X S+ 0 0 20 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.3 0.863 110.8 46.0 -68.2 -39.2 57.7 25.2 25.7 20 18 A N H X S+ 0 0 1 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.963 112.5 49.5 -66.5 -51.3 55.3 28.1 26.0 21 19 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.910 109.5 51.7 -54.8 -47.9 54.6 27.4 29.7 22 20 A S H X S+ 0 0 7 -4,-2.3 4,-1.4 136,-0.3 -1,-0.2 0.890 114.0 43.2 -62.3 -35.9 58.3 27.2 30.6 23 21 A R H X S+ 0 0 33 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.847 113.5 50.7 -78.7 -31.2 59.1 30.5 28.9 24 22 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.869 107.1 54.8 -74.2 -37.5 56.1 32.3 30.2 25 23 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.914 107.9 48.4 -56.8 -46.7 56.9 31.1 33.7 26 24 A A H X S+ 0 0 27 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.858 112.5 49.7 -63.8 -36.9 60.5 32.6 33.5 27 25 A Q H X S+ 0 0 59 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.926 109.5 52.4 -66.2 -39.1 59.0 35.9 32.2 28 26 A F H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.940 112.6 43.7 -63.1 -49.9 56.5 35.9 35.1 29 27 A Y H X S+ 0 0 12 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.937 110.7 53.2 -58.4 -48.6 59.1 35.5 37.7 30 28 A E H X S+ 0 0 93 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.877 114.6 45.2 -58.8 -36.5 61.5 38.0 36.2 31 29 A K H X S+ 0 0 115 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.931 114.6 43.2 -75.0 -50.9 58.6 40.5 36.3 32 30 A K H X S+ 0 0 32 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.884 111.7 55.1 -66.4 -34.9 57.2 39.9 39.8 33 31 A L H ><>S+ 0 0 19 -4,-3.1 5,-2.3 -5,-0.3 3,-0.6 0.872 108.0 48.4 -67.1 -33.3 60.7 39.8 41.3 34 32 A K H ><5S+ 0 0 161 -4,-1.1 3,-1.3 -5,-0.3 -1,-0.2 0.860 96.6 72.3 -73.3 -33.8 61.5 43.2 39.9 35 33 A Q H 3<5S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 112.6 29.1 -38.2 -36.3 58.1 44.5 41.2 36 34 A F T <<5S- 0 0 35 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.394 110.6-118.9-109.3 -1.0 59.8 44.2 44.6 37 35 A G T < 5S+ 0 0 57 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.731 71.3 128.0 65.3 24.3 63.4 44.8 43.5 38 36 A I < - 0 0 12 -5,-2.3 -1,-0.2 4,-0.0 -2,-0.2 -0.832 55.3-129.0-113.1 152.4 64.6 41.4 44.8 39 37 A T > - 0 0 49 -2,-0.3 4,-2.0 35,-0.1 3,-0.3 -0.410 35.3-102.3 -83.7 169.9 66.5 38.7 43.1 40 38 A Y H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.935 123.4 53.2 -57.3 -47.2 65.2 35.0 43.2 41 39 A S H > S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.823 108.4 48.8 -56.5 -32.6 67.7 34.2 45.9 42 40 A Q H > S+ 0 0 1 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.846 108.3 54.6 -79.0 -35.3 66.5 37.1 48.1 43 41 A Y H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.883 107.5 50.1 -57.8 -42.1 63.0 35.9 47.5 44 42 A L H X S+ 0 0 38 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.836 106.8 55.6 -72.7 -30.0 64.0 32.4 48.8 45 43 A V H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.941 108.9 46.4 -58.7 -51.6 65.6 34.1 51.8 46 44 A X H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.880 111.0 54.6 -60.8 -34.6 62.3 35.7 52.7 47 45 A L H X S+ 0 0 0 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.924 105.4 49.3 -73.3 -40.8 60.6 32.5 52.1 48 46 A T H X S+ 0 0 6 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.790 112.0 51.0 -68.1 -25.4 62.7 30.5 54.5 49 47 A L H < S+ 0 0 1 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.850 102.6 57.7 -77.2 -36.0 62.1 33.1 57.2 50 48 A W H < S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.641 112.8 43.1 -68.9 -14.4 58.4 33.1 56.7 51 49 A E H < S+ 0 0 101 -4,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.693 130.7 18.9 -96.9 -27.7 58.6 29.4 57.6 52 50 A E S < S- 0 0 104 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.838 80.5-144.0-153.7 101.3 61.0 29.7 60.4 53 51 A N S S+ 0 0 68 -2,-0.3 38,-0.1 -3,-0.2 2,-0.1 -0.971 71.8 18.6-123.3 130.4 61.7 33.0 62.3 54 52 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 37,-0.2 0.642 74.7 178.4 -86.8 172.6 64.4 33.9 63.4 55 53 A Q E -A 90 0A 4 35,-1.7 35,-2.9 -2,-0.1 2,-0.2 -0.959 29.3-116.0-130.1 155.9 67.3 32.1 61.8 56 54 A T E > -A 89 0A 55 -2,-0.3 4,-1.7 33,-0.2 3,-0.3 -0.534 36.4-111.1 -74.9 155.3 71.1 32.2 62.1 57 55 A L H > S+ 0 0 40 31,-1.4 4,-1.6 1,-0.3 -1,-0.1 0.868 122.8 53.5 -55.4 -38.6 73.0 33.3 59.0 58 56 A N H > S+ 0 0 86 30,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.890 101.4 58.1 -60.6 -43.0 74.2 29.7 58.9 59 57 A S H > S+ 0 0 18 -3,-0.3 4,-1.8 1,-0.2 3,-0.3 0.958 107.4 45.4 -56.5 -56.6 70.6 28.3 59.0 60 58 A I H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.882 107.1 61.7 -50.3 -46.2 69.5 30.1 55.9 61 59 A G H X>S+ 0 0 5 -4,-1.6 5,-1.9 1,-0.2 4,-1.9 0.922 103.3 48.4 -45.1 -56.2 72.7 29.0 54.2 62 60 A R H <5S+ 0 0 176 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.901 111.1 52.1 -50.6 -46.9 71.7 25.3 54.7 63 61 A H H <5S+ 0 0 100 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.825 120.2 31.9 -64.6 -34.1 68.3 26.1 53.2 64 62 A L H <5S- 0 0 29 -4,-2.4 -1,-0.2 -3,-0.3 -2,-0.2 0.550 105.6-121.1-101.0 -5.6 69.7 27.8 50.1 65 63 A D T <5S+ 0 0 120 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.975 71.3 127.0 60.6 54.9 72.8 25.7 49.8 66 64 A L < - 0 0 17 -5,-1.9 -1,-0.3 -8,-0.2 -2,-0.2 -0.988 62.6-107.2-139.6 148.5 75.0 28.8 50.1 67 65 A S > - 0 0 44 -2,-0.3 4,-1.3 1,-0.1 -9,-0.0 -0.368 29.5-116.6 -67.7 153.2 77.9 29.9 52.2 68 66 A S H > S+ 0 0 41 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.833 115.8 63.4 -49.7 -40.0 77.4 32.5 55.0 69 67 A N H >4 S+ 0 0 48 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.979 100.6 48.1 -51.1 -66.4 79.8 34.6 52.9 70 68 A T H 34 S+ 0 0 4 1,-0.2 4,-0.4 315,-0.2 -1,-0.2 0.805 108.4 56.9 -41.4 -42.0 77.5 34.8 49.8 71 69 A L H >X S+ 0 0 1 -4,-1.3 3,-1.3 1,-0.2 4,-1.0 0.804 85.5 73.9 -71.5 -35.9 74.5 35.9 51.9 72 70 A T H XX S+ 0 0 55 -4,-1.3 3,-1.2 -3,-0.8 4,-0.9 0.909 98.5 46.0 -51.1 -55.1 75.6 39.0 53.8 73 71 A P H 3> S+ 0 0 58 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.784 108.0 61.9 -57.9 -21.0 75.5 41.3 50.8 74 72 A X H <> S+ 0 0 17 -3,-1.3 4,-0.8 -4,-0.4 -2,-0.2 0.736 100.9 49.9 -78.8 -22.0 72.1 39.9 49.9 75 73 A L H S+ 0 0 0 -4,-0.8 5,-2.4 1,-0.2 4,-0.9 0.817 113.4 50.2 -58.6 -33.9 66.4 43.5 52.4 79 77 A E H <5S+ 0 0 58 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.873 105.4 54.3 -75.1 -39.8 67.6 45.9 55.1 80 78 A Q H <5S+ 0 0 136 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.828 112.7 45.7 -57.2 -35.3 67.5 49.0 52.8 81 79 A S H <5S- 0 0 65 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.712 116.1-121.5 -76.2 -25.8 63.9 48.0 52.1 82 80 A G T <5S+ 0 0 31 -4,-0.9 14,-0.2 -5,-0.2 -3,-0.2 0.933 75.4 122.8 82.5 52.2 63.2 47.4 55.8 83 81 A W S S+ 0 0 135 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.799 128.1 49.9 -80.6 -37.0 56.4 43.8 60.8 95 101 A N H > S+ 0 0 77 1,-0.2 4,-1.0 2,-0.2 -12,-0.1 0.908 112.9 47.0 -62.3 -45.2 56.8 45.2 57.3 96 102 A G H 4 S+ 0 0 0 -14,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.736 111.4 53.6 -68.5 -24.4 58.7 42.1 56.4 97 103 A Q H >4 S+ 0 0 64 -4,-0.5 3,-0.5 1,-0.2 4,-0.3 0.864 112.1 39.9 -79.0 -41.2 56.0 39.9 58.0 98 104 A Q H >X S+ 0 0 116 -4,-1.9 3,-0.9 1,-0.2 4,-0.8 0.600 99.1 78.1 -86.4 -10.4 53.0 41.3 56.2 99 105 A Q H 3X S+ 0 0 24 -4,-1.0 4,-3.2 1,-0.3 5,-0.3 0.788 77.7 73.6 -63.3 -30.3 55.1 41.5 53.0 100 106 A Q H <> S+ 0 0 9 -3,-0.5 4,-3.0 -4,-0.4 -1,-0.3 0.907 95.7 51.2 -44.9 -44.2 54.4 37.8 52.8 101 107 A E H <> S+ 0 0 75 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.3 0.890 109.9 47.3 -64.2 -39.9 51.0 38.9 51.8 102 108 A A H X S+ 0 0 32 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.929 116.5 43.0 -67.8 -46.1 52.3 41.3 49.1 103 109 A V H X S+ 0 0 1 -4,-3.2 4,-3.1 1,-0.2 5,-0.4 0.943 111.5 55.4 -67.3 -47.0 54.6 38.7 47.6 104 110 A F H X S+ 0 0 28 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.879 106.7 49.9 -50.3 -46.1 52.0 35.9 47.9 105 111 A E H X S+ 0 0 109 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.903 115.1 45.1 -65.0 -38.5 49.4 37.9 45.9 106 112 A A H >< S+ 0 0 11 -4,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.984 120.8 35.6 -66.8 -55.6 52.0 38.6 43.2 107 113 A I H >< S+ 0 0 2 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.834 111.0 62.6 -73.9 -32.2 53.4 35.1 42.9 108 114 A S H >< S+ 0 0 21 -4,-2.7 3,-1.6 -5,-0.4 -1,-0.3 0.685 85.1 78.7 -59.5 -23.4 50.1 33.4 43.5 109 115 A S T << S+ 0 0 27 -3,-1.1 -1,-0.2 -4,-0.6 4,-0.2 0.616 81.0 63.7 -72.3 -14.4 48.7 34.9 40.4 110 116 A C T < S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.2 168,-0.2 0.576 84.6 93.7 -80.4 -12.1 50.3 32.4 38.0 111 117 A L S < S- 0 0 2 -3,-1.6 2,-0.3 -4,-0.2 163,-0.0 -0.687 94.3-105.5 -81.8 133.8 48.3 29.7 39.6 112 118 A P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 -2,-0.1 -0.479 26.6-136.8 -64.1 120.9 45.0 29.0 37.7 113 119 A Q T 3 S+ 0 0 168 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.677 97.9 58.3 -56.7 -24.6 42.2 30.6 39.9 114 120 A E T 3 S+ 0 0 153 2,-0.0 2,-0.3 5,-0.0 -1,-0.3 0.390 85.2 107.0 -82.3 -0.0 39.8 27.6 39.5 115 121 A F < - 0 0 15 -3,-2.0 2,-0.2 4,-0.1 -4,-0.0 -0.661 48.2-172.4 -89.9 140.1 42.3 25.2 41.0 116 122 A D >> - 0 0 92 -2,-0.3 4,-2.2 0, 0.0 3,-0.9 -0.695 46.6 -85.0-119.2 174.7 41.9 23.9 44.5 117 123 A T H 3> S+ 0 0 72 1,-0.3 4,-1.7 -2,-0.2 5,-0.1 0.777 127.4 55.1 -60.2 -24.9 44.3 21.8 46.5 118 124 A T H 3> S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.916 111.7 43.1 -71.6 -40.1 43.1 18.6 44.9 119 125 A E H <> S+ 0 0 47 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.765 110.3 56.4 -76.7 -25.4 43.8 19.9 41.5 120 126 A Y H X S+ 0 0 19 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.822 110.2 45.9 -72.6 -32.3 47.1 21.4 42.6 121 127 A D H X S+ 0 0 91 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.859 110.0 54.0 -73.8 -35.1 48.0 17.9 43.7 122 128 A E H X S+ 0 0 59 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.901 106.7 52.9 -56.8 -46.0 46.7 16.7 40.4 123 129 A T H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 109.2 47.0 -58.0 -48.7 49.0 19.1 38.7 124 130 A K H X S+ 0 0 58 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.884 112.4 50.3 -61.2 -46.0 52.2 17.9 40.6 125 131 A Y H X S+ 0 0 136 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.860 109.7 51.7 -57.3 -39.7 51.3 14.3 39.9 126 132 A V H X 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19.1 23.6 167 25 B Q H X S+ 0 0 65 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.921 111.2 49.6 -67.8 -35.0 66.5 16.3 24.5 168 26 B F H X S+ 0 0 15 -4,-2.0 4,-0.6 1,-0.2 3,-0.3 0.961 116.7 38.6 -67.1 -51.7 64.1 13.6 23.2 169 27 B Y H >X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 3,-0.9 0.844 104.1 70.2 -65.9 -37.3 63.4 15.2 19.8 170 28 B E H >X S+ 0 0 45 -4,-2.3 4,-1.9 -5,-0.4 3,-0.5 0.923 92.9 57.8 -46.1 -47.4 66.9 16.4 19.3 171 29 B K H 3< S+ 0 0 174 -4,-1.2 4,-0.3 -3,-0.3 -1,-0.2 0.813 115.6 34.6 -59.7 -34.2 68.1 12.8 18.8 172 30 B K H << S+ 0 0 54 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.622 114.8 56.2 -93.9 -13.1 65.7 12.3 15.9 173 31 B L H X<>S+ 0 0 0 -4,-2.2 5,-1.5 -3,-0.5 3,-1.4 0.647 85.1 83.0 -89.3 -16.1 65.9 15.8 14.4 174 32 B K G ><5S+ 0 0 159 -4,-1.9 3,-1.9 -5,-0.3 -1,-0.2 0.918 86.8 56.0 -44.5 -49.1 69.7 15.6 14.1 175 33 B Q G 3 5S+ 0 0 126 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.585 106.2 49.2 -71.0 -11.9 69.2 13.8 10.7 176 34 B F G < 5S- 0 0 38 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.385 111.0-122.1-104.7 -2.3 67.1 16.6 9.2 177 35 B G T < 5S+ 0 0 41 -3,-1.9 2,-0.3 -4,-0.5 -3,-0.2 0.765 72.1 117.9 70.6 26.8 69.7 19.2 10.3 178 36 B I < - 0 0 4 -5,-1.5 -1,-0.3 -8,-0.1 -2,-0.2 -0.914 57.5-130.6-121.3 156.6 67.2 21.2 12.4 179 37 B T > - 0 0 25 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.544 33.3-101.6 -96.0 165.4 67.1 22.0 16.1 180 38 B Y H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.875 122.2 53.0 -54.0 -43.0 64.2 21.5 18.4 181 39 B S H > S+ 0 0 7 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.919 109.5 48.7 -68.3 -38.0 63.3 25.2 18.4 182 40 B Q H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 107.2 56.9 -61.7 -39.1 63.3 25.2 14.6 183 41 B Y H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.873 104.8 51.8 -56.4 -39.2 61.1 22.1 14.7 184 42 B L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.869 107.7 51.3 -68.6 -34.9 58.6 24.1 16.8 185 43 B V H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.919 112.1 46.7 -61.9 -45.4 58.6 26.9 14.2 186 44 B X H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.904 107.7 59.3 -63.4 -37.4 57.9 24.3 11.5 187 45 B L H X S+ 0 0 19 -4,-2.3 4,-0.7 1,-0.3 -1,-0.2 0.867 106.5 44.4 -65.7 -36.2 55.2 22.9 13.7 188 46 B T H X S+ 0 0 7 -4,-1.6 4,-2.0 -3,-0.2 -1,-0.3 0.848 111.3 55.1 -76.6 -32.9 53.3 26.1 13.8 189 47 B L H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.890 103.4 53.3 -64.9 -43.4 53.7 26.6 10.1 190 48 B W H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.744 112.7 48.3 -62.9 -23.2 52.2 23.2 9.3 191 49 B E H < S+ 0 0 164 -4,-0.7 2,-0.4 1,-0.3 -2,-0.2 0.839 130.9 10.3 -74.6 -44.7 49.3 24.4 11.4 192 50 B E S < S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.918 80.5-145.3-148.5 112.1 49.0 27.8 9.7 193 51 B N S S+ 0 0 74 -2,-0.4 42,-0.1 -3,-0.2 2,-0.1 -0.995 71.6 22.6-135.3 136.5 50.7 28.8 6.5 194 52 B P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 41,-0.2 0.708 75.2 171.6 -78.7 170.7 51.8 31.4 5.7 195 53 B Q E -C 234 0C 5 39,-2.0 39,-3.2 -2,-0.1 2,-0.1 -0.955 32.7-114.0-130.3 153.9 52.4 33.5 8.9 196 54 B T E > -C 233 0C 33 -2,-0.3 4,-2.2 37,-0.3 37,-0.3 -0.496 35.8-110.1 -77.3 161.1 54.1 36.8 9.6 197 55 B L H > S+ 0 0 12 35,-2.3 4,-1.7 1,-0.2 5,-0.1 0.894 122.7 50.8 -57.6 -39.5 57.3 36.8 11.6 198 56 B N H > S+ 0 0 71 34,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.851 104.9 55.1 -68.4 -33.7 55.4 38.4 14.4 199 57 B S H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.967 109.7 48.5 -62.6 -42.8 52.6 35.8 14.2 200 58 B I H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.838 110.9 49.6 -62.4 -40.0 55.2 33.1 14.7 201 59 B G H X>S+ 0 0 7 -4,-1.7 4,-1.9 2,-0.2 5,-1.7 0.822 109.6 51.4 -70.5 -35.5 56.8 34.8 17.7 202 60 B R H <5S+ 0 0 171 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.894 110.0 49.6 -64.7 -41.9 53.4 35.3 19.3 203 61 B H H <5S+ 0 0 60 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.763 126.5 26.5 -69.8 -26.8 52.6 31.6 18.9 204 62 B L H <5S- 0 0 1 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.485 105.3-120.5-112.6 -13.2 56.0 30.6 20.4 205 63 B D T <5 + 0 0 34 -4,-1.9 2,-0.4 1,-0.2 -3,-0.2 1.000 62.1 141.9 63.1 65.7 56.7 33.6 22.6 206 64 B L < - 0 0 15 -5,-1.7 -1,-0.2 -8,-0.1 -2,-0.1 -0.997 51.3-115.2-134.7 142.3 59.9 34.6 20.9 207 65 B S >> - 0 0 45 -2,-0.4 4,-1.7 1,-0.1 3,-0.6 -0.308 30.0-112.0 -68.2 160.4 61.3 38.0 20.2 208 66 B S H 3> S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.825 117.6 59.4 -58.7 -30.1 61.7 39.0 16.7 209 67 B N H 34 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 357,-0.1 0.801 105.3 45.6 -72.2 -29.3 65.5 39.0 17.4 210 68 B T H <> S+ 0 0 30 -3,-0.6 4,-0.7 1,-0.1 -1,-0.2 0.819 112.6 51.9 -81.9 -28.4 65.6 35.3 18.3 211 69 B L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.856 93.6 69.9 -77.2 -33.9 63.5 34.2 15.4 212 70 B T H X S+ 0 0 33 -4,-1.5 4,-2.8 1,-0.3 5,-0.2 0.920 99.8 44.2 -55.2 -54.3 65.4 35.9 12.6 213 71 B P H > S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.853 113.9 53.1 -62.9 -29.0 68.5 33.7 12.6 214 72 B X H X S+ 0 0 3 -4,-0.7 4,-2.0 -3,-0.2 -2,-0.2 0.896 111.4 45.2 -70.3 -40.4 66.3 30.6 13.0 215 73 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 9,-0.2 0.914 110.9 53.0 -68.6 -38.6 64.3 31.5 9.9 216 74 B K H X S+ 0 0 52 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.845 109.9 49.1 -63.3 -34.1 67.4 32.4 7.9 217 75 B R H X S+ 0 0 42 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.896 111.0 49.3 -73.3 -40.2 68.8 29.0 8.7 218 76 B L H X>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 6,-0.8 0.808 110.6 50.9 -64.3 -33.9 65.5 27.3 7.7 219 77 B E H ><5S+ 0 0 70 -4,-2.5 3,-0.9 3,-0.2 -2,-0.2 0.923 108.9 50.8 -70.2 -44.7 65.5 29.3 4.4 220 78 B Q H 3<5S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.855 110.9 49.2 -57.9 -34.4 69.0 28.2 3.7 221 79 B S H 3<5S- 0 0 45 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.676 119.1-113.6 -79.5 -16.8 68.1 24.6 4.4 222 80 B G T <<5S+ 0 0 24 -3,-0.9 18,-0.5 -4,-0.6 -3,-0.2 0.756 83.4 113.0 91.2 27.2 65.0 24.9 2.0 223 81 B W S - 0 0 43 -14,-2.2 4,-1.4 -2,-0.3 5,-0.1 -0.360 27.1-111.2 -75.8 161.1 58.4 25.8 0.7 238 100 B D H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.941 121.1 53.3 -63.3 -42.9 57.1 22.7 -1.1 239 101 B N H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.928 104.4 53.1 -55.7 -47.0 60.0 20.8 0.3 240 102 B G H 4 S+ 0 0 0 -18,-0.5 4,-0.4 1,-0.2 -1,-0.2 0.798 109.5 51.0 -62.4 -27.1 59.2 21.9 4.0 241 103 B Q H >< S+ 0 0 83 -4,-1.4 3,-0.7 -3,-0.4 4,-0.4 0.860 110.0 49.2 -70.1 -38.8 55.7 20.6 3.4 242 104 B Q H >X S+ 0 0 138 -4,-1.9 4,-0.8 1,-0.2 3,-0.6 0.761 101.8 63.4 -72.9 -23.2 57.0 17.3 2.2 243 105 B Q H 3X S+ 0 0 50 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.766 82.6 80.4 -74.7 -18.9 59.4 16.9 5.0 244 106 B Q H <> S+ 0 0 50 -3,-0.7 4,-2.4 -4,-0.4 -1,-0.2 0.863 92.7 46.9 -61.9 -36.5 56.6 16.7 7.5 245 107 B E H <> S+ 0 0 158 -3,-0.6 4,-2.3 -4,-0.4 -1,-0.3 0.913 114.4 46.0 -70.8 -44.0 55.8 13.1 6.8 246 108 B A H X S+ 0 0 42 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.942 114.9 47.4 -64.9 -47.9 59.4 11.9 7.0 247 109 B V H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 3,-0.3 0.945 112.6 48.4 -57.6 -49.0 60.1 13.9 10.1 248 110 B F H X S+ 0 0 47 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.880 108.1 57.6 -62.9 -36.8 56.9 12.6 11.8 249 111 B E H X S+ 0 0 108 -4,-2.3 4,-1.0 1,-0.2 -1,-0.3 0.921 105.7 47.8 -51.1 -47.8 57.9 9.1 10.7 250 112 B A H < S+ 0 0 12 -4,-1.9 4,-0.2 -3,-0.3 -1,-0.2 0.860 116.7 42.7 -75.7 -28.2 61.2 9.4 12.6 251 113 B I H >X S+ 0 0 1 -4,-1.8 3,-2.0 1,-0.2 4,-0.6 0.923 108.4 54.8 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-0.335 28.7-104.4 -76.2 164.4 87.0 43.9 35.6 323 38 C Y H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.895 123.7 48.8 -43.6 -53.5 86.3 41.3 33.1 324 39 C S H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.937 110.6 50.2 -62.6 -45.0 90.0 40.7 32.6 325 40 C Q H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.836 107.0 56.7 -58.4 -33.8 90.5 40.5 36.3 326 41 C Y H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.840 102.3 54.2 -69.0 -34.7 87.7 38.0 36.4 327 42 C L H X S+ 0 0 7 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.884 108.4 49.5 -65.9 -40.6 89.5 35.7 33.9 328 43 C V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.971 111.9 47.9 -59.2 -50.3 92.6 35.6 36.1 329 44 C X H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.883 108.3 56.7 -59.6 -35.8 90.4 34.8 39.1 330 45 C L H X S+ 0 0 32 -4,-2.1 4,-0.7 1,-0.2 -1,-0.3 0.962 109.6 43.8 -57.7 -50.2 88.7 32.1 37.1 331 46 C T H >X S+ 0 0 5 -4,-2.1 4,-1.1 1,-0.2 3,-0.6 0.860 113.5 50.4 -71.1 -36.3 92.0 30.5 36.4 332 47 C L H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 102.9 60.7 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41.4 -67.7 -31.1 101.8 30.8 33.7 343 58 C I H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.881 107.6 61.3 -85.1 -39.5 98.7 32.9 33.9 344 59 C G H <>S+ 0 0 10 -4,-1.8 5,-2.7 1,-0.2 -2,-0.2 0.813 112.3 39.4 -48.9 -37.6 100.1 35.5 31.5 345 60 C R H <5S+ 0 0 187 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.795 108.8 60.6 -86.5 -32.2 100.3 32.8 28.9 346 61 C H H <5S+ 0 0 76 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 123.2 23.8 -59.9 -34.6 97.0 31.2 29.9 347 62 C L T <5S- 0 0 1 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.366 105.8-125.8-109.2 -0.8 95.3 34.4 29.0 348 63 C D T 5 + 0 0 92 -5,-0.2 2,-0.3 1,-0.2 -3,-0.2 0.936 54.6 156.4 44.4 58.3 97.9 35.6 26.6 349 64 C L < - 0 0 37 -5,-2.7 2,-0.2 -6,-0.2 -1,-0.2 -0.837 39.8-126.1-108.9 149.3 98.3 38.9 28.4 350 65 C S >> - 0 0 65 -2,-0.3 4,-3.0 1,-0.1 3,-1.4 -0.621 23.9-116.7 -88.4 153.3 101.3 41.2 28.4 351 66 C S H 3> S+ 0 0 76 1,-0.3 4,-2.2 -2,-0.2 -1,-0.1 0.764 114.0 68.9 -57.8 -31.5 103.0 42.4 31.6 352 67 C N H 34 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.830 115.5 27.0 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151 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.680 110.4 40.3 -67.3 -26.2 101.9 44.3 4.2 462 34 D F T <45S- 0 0 62 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.566 115.0-119.6 -94.7 -18.7 99.3 47.1 4.0 463 35 D G T <5 + 0 0 53 -4,-1.3 2,-0.3 -3,-0.3 -3,-0.2 0.877 68.4 119.4 80.1 44.7 100.8 48.6 7.3 464 36 D I < - 0 0 10 -5,-1.6 -1,-0.3 -8,-0.1 -2,-0.2 -0.976 58.7-119.8-131.6 150.9 97.8 48.5 9.7 465 37 D T > - 0 0 59 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.419 33.6-107.4 -76.3 161.3 97.1 46.8 12.9 466 38 D Y H > S+ 0 0 11 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 120.9 55.7 -53.9 -44.2 94.2 44.3 13.3 467 39 D S H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 106.7 49.6 -54.7 -45.1 92.3 46.9 15.3 468 40 D Q H > S+ 0 0 6 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.895 105.6 56.8 -64.1 -38.6 92.6 49.4 12.5 469 41 D Y H X S+ 0 0 5 -4,-2.3 4,-3.1 1,-0.2 -1,-0.3 0.896 105.3 52.6 -55.9 -40.4 91.4 46.7 10.2 470 42 D L H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.855 107.6 50.0 -65.3 -37.6 88.3 46.5 12.5 471 43 D V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.4 0.981 112.0 49.2 -61.1 -49.5 87.9 50.3 12.1 472 44 D X H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.3 5,-0.2 0.897 106.2 55.9 -60.3 -42.6 88.1 49.8 8.3 473 45 D L H X S+ 0 0 9 -4,-3.1 4,-0.8 1,-0.2 -1,-0.3 0.889 109.8 45.0 -55.3 -43.8 85.6 47.0 8.3 474 46 D T H X S+ 0 0 2 -4,-1.6 4,-1.8 -3,-0.4 3,-0.3 0.866 113.9 50.5 -64.7 -40.3 82.9 49.1 10.1 475 47 D L H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.825 105.1 55.2 -73.6 -30.8 83.6 52.1 7.8 476 48 D W H < S+ 0 0 19 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.744 112.2 46.0 -70.1 -22.4 83.3 50.0 4.7 477 49 D E H < S+ 0 0 57 -4,-0.8 2,-0.3 1,-0.3 -2,-0.2 0.770 132.6 7.9 -89.3 -27.6 79.9 49.0 6.0 478 50 D E S < S- 0 0 117 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.776 80.7-147.5-159.3 107.5 78.8 52.5 6.9 479 51 D N + 0 0 67 -2,-0.3 2,-0.1 -3,-0.2 46,-0.1 -0.993 69.0 26.9-134.2 143.5 80.6 55.7 6.2 480 52 D P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 45,-0.2 0.595 75.8 169.2 -79.8 165.2 81.0 58.3 7.4 481 53 D Q E -G 524 0E 6 43,-1.3 43,-2.7 -2,-0.1 2,-0.2 -0.895 32.8-112.3-127.6 165.1 80.5 57.4 11.0 482 54 D T E > -G 523 0E 28 -2,-0.3 4,-2.5 41,-0.2 5,-0.3 -0.615 29.3-113.1 -89.3 157.2 81.1 59.5 14.2 483 55 D L H > S+ 0 0 27 39,-1.5 4,-1.9 1,-0.2 -1,-0.1 0.850 125.7 53.8 -54.8 -35.7 83.8 58.6 16.7 484 56 D N H > S+ 0 0 96 38,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.967 107.1 50.5 -54.9 -55.3 80.8 57.8 18.9 485 57 D S H > S+ 0 0 18 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.872 112.0 44.6 -54.3 -49.6 79.4 55.5 16.2 486 58 D I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.862 105.9 63.5 -67.1 -38.4 82.6 53.5 15.7 487 59 D G H X>S+ 0 0 10 -4,-1.9 4,-1.7 -5,-0.3 5,-1.4 0.893 104.8 45.3 -47.4 -47.4 83.0 53.2 19.5 488 60 D R H <5S+ 0 0 174 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.781 111.0 52.8 -73.4 -30.9 79.8 51.3 19.9 489 61 D H H <5S+ 0 0 64 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.799 124.8 25.9 -71.9 -29.4 80.6 49.0 17.0 490 62 D L H <5S- 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.491 99.5-124.1-117.0 -1.1 83.9 48.1 18.4 491 63 D D T <5 + 0 0 58 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.975 67.4 128.8 48.9 58.7 83.4 48.6 22.2 492 64 D L < - 0 0 42 -5,-1.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.955 49.2-132.9-133.3 154.5 86.3 51.1 22.4 493 65 D S >> - 0 0 59 -2,-0.3 4,-2.4 -3,-0.1 3,-1.0 -0.341 33.4 -94.3 -94.6 179.4 86.5 54.6 23.9 494 66 D S H 3> S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.948 121.4 64.3 -53.7 -54.0 87.9 57.9 22.7 495 67 D N H 34 S+ 0 0 145 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.647 113.8 34.1 -47.8 -16.3 91.2 57.2 24.5 496 68 D T H <> S+ 0 0 52 -3,-1.0 4,-1.1 2,-0.1 -1,-0.2 0.821 113.8 51.7-111.5 -44.5 91.6 54.3 22.1 497 69 D L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.673 97.8 71.1 -65.8 -21.2 90.1 55.4 18.8 498 70 D T H X S+ 0 0 71 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.973 103.1 36.9 -64.0 -58.1 92.1 58.7 18.6 499 71 D P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.907 118.0 55.8 -56.4 -40.3 95.7 57.3 18.0 500 72 D X H X S+ 0 0 33 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.933 111.1 40.0 -59.8 -51.3 94.0 54.6 15.8 501 73 D L H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.841 114.1 53.4 -71.9 -35.9 92.3 57.1 13.5 502 74 D K H X S+ 0 0 86 -4,-2.2 4,-2.5 2,-0.2 3,-0.4 0.974 108.5 48.9 -57.4 -56.0 95.2 59.5 13.3 503 75 D R H X S+ 0 0 149 -4,-2.6 4,-0.6 1,-0.3 -1,-0.2 0.780 113.9 49.7 -59.9 -25.3 97.7 56.8 12.3 504 76 D L H <>S+ 0 0 0 -4,-1.1 5,-2.3 -5,-0.2 6,-0.6 0.800 106.3 51.5 -85.1 -38.4 95.1 55.8 9.6 505 77 D E H ><5S+ 0 0 59 -4,-2.2 3,-2.7 -3,-0.4 -2,-0.2 0.919 105.3 57.6 -60.8 -45.3 94.5 59.2 8.1 506 78 D Q H 3<5S+ 0 0 152 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.838 102.7 54.7 -53.3 -32.6 98.2 59.7 7.8 507 79 D S T 3<5S- 0 0 49 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.624 118.7-122.0 -70.5 -14.8 98.0 56.5 5.7 508 80 D G T < 5S+ 0 0 26 -3,-2.7 22,-0.7 2,-0.2 21,-0.3 0.741 82.2 117.3 75.5 25.1 95.4 58.4 3.6 509 81 D W S - 0 0 70 3,-0.2 3,-1.0 1,-0.1 -3,-0.3 -0.827 60.9-168.2-138.3 99.7 76.7 70.5 13.4 519 91 D K T 3 S+ 0 0 125 -2,-0.3 -4,-0.1 -3,-0.2 -1,-0.1 0.588 70.7 92.9 -62.0 -9.9 80.2 71.1 14.8 520 92 D R T 3 S+ 0 0 211 1,-0.1 2,-0.4 -6,-0.1 -1,-0.2 0.853 87.8 35.5 -52.6 -48.4 79.1 69.1 18.0 521 93 D Q S < S- 0 0 79 -3,-1.0 2,-0.4 -38,-0.0 -6,-0.4 -0.946 76.8-131.5-120.5 135.7 80.5 65.7 16.8 522 94 D L - 0 0 60 -2,-0.4 -39,-1.5 -8,-0.1 2,-0.3 -0.680 23.8-153.5 -87.2 124.9 83.6 64.8 14.7 523 95 D I E -GH 482 513E 20 -10,-1.0 -10,-1.1 -2,-0.4 2,-0.7 -0.751 9.3-146.3 -99.6 142.7 83.0 62.5 11.7 524 96 D I E -GH 481 512E 0 -43,-2.7 -43,-1.3 -2,-0.3 2,-0.2 -0.916 22.7-170.0-107.2 103.8 85.5 60.1 10.1 525 97 D T E - H 0 511E 29 -14,-2.1 -14,-3.1 -2,-0.7 2,-0.4 -0.632 27.5-103.6 -93.3 154.7 84.7 59.9 6.4 526 98 D L E - H 0 510E 15 -2,-0.2 -16,-0.3 -16,-0.2 5,-0.1 -0.641 35.5-121.9 -86.0 127.5 86.4 57.4 4.1 527 99 D T > - 0 0 27 -18,-2.2 4,-1.1 -2,-0.4 -1,-0.1 -0.151 19.5-115.2 -63.1 155.4 89.2 58.6 1.8 528 100 D D H >> S+ 0 0 156 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.971 121.4 44.5 -43.7 -58.7 89.1 58.3 -2.0 529 101 D N H >> S+ 0 0 64 -21,-0.3 3,-1.9 1,-0.2 4,-0.6 0.912 103.5 62.8 -56.4 -51.4 92.1 55.9 -1.6 530 102 D G H >> S+ 0 0 0 -22,-0.7 4,-0.7 -21,-0.3 3,-0.6 0.731 94.0 63.6 -49.7 -28.0 90.7 53.9 1.4 531 103 D Q H X< S+ 0 0 90 -4,-1.1 3,-0.5 -3,-0.9 4,-0.5 0.839 98.3 54.1 -69.7 -32.0 87.8 52.7 -0.7 532 104 D Q H S+ 0 0 107 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.892 116.9 53.0 -63.9 -43.9 89.0 44.8 -2.3 536 108 D A H X S+ 0 0 33 -4,-1.3 4,-1.8 1,-0.2 3,-0.4 0.959 113.3 41.0 -58.1 -57.1 92.8 44.7 -1.9 537 109 D V H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 5,-0.2 0.826 111.1 58.5 -61.8 -36.4 92.8 43.6 1.7 538 110 D F H X S+ 0 0 15 -4,-1.8 4,-1.9 -5,-0.4 -1,-0.2 0.869 106.8 47.7 -62.7 -39.1 89.9 41.2 1.1 539 111 D E H X S+ 0 0 98 -4,-1.8 4,-1.1 -3,-0.4 -2,-0.2 0.922 109.3 52.2 -67.9 -46.1 91.9 39.3 -1.5 540 112 D A H < S+ 0 0 28 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.873 118.6 35.6 -60.1 -39.1 95.1 39.0 0.6 541 113 D I H >< S+ 0 0 7 -4,-1.7 3,-1.2 1,-0.1 -1,-0.2 0.865 109.4 60.1 -82.0 -40.1 93.2 37.5 3.6 542 114 D S H >< S+ 0 0 31 -4,-1.9 3,-1.5 1,-0.3 -2,-0.1 0.817 94.8 57.8 -66.4 -40.5 90.5 35.3 2.0 543 115 D S T 3< S+ 0 0 103 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.435 98.8 65.3 -75.5 3.6 92.6 32.8 -0.0 544 116 D C T < S+ 0 0 49 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.288 102.9 46.3-105.3 7.1 94.4 31.8 3.2 545 117 D L S < S- 0 0 13 -3,-1.5 -1,-0.1 -4,-0.0 5,-0.1 -0.991 92.1 -88.4-153.2 146.9 91.3 30.3 4.9 546 118 D P > - 0 0 59 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.090 41.1-111.5 -53.6 155.6 88.4 28.0 4.1 547 119 D Q G >> S+ 0 0 133 1,-0.3 4,-2.8 2,-0.2 3,-2.0 0.748 112.1 81.7 -65.0 -21.5 85.2 29.5 2.6 548 120 D E G 34 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.805 91.6 50.2 -43.8 -34.7 83.7 28.6 6.0 549 121 D F G <4 S+ 0 0 6 -3,-2.0 -252,-1.5 1,-0.1 -1,-0.3 0.597 127.2 20.0 -83.6 -14.2 85.3 31.9 7.2 550 122 D D T <4 S+ 0 0 8 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.1 0.419 83.7 140.2-139.7 -0.9 83.9 34.0 4.4 551 123 D T < - 0 0 25 -4,-2.8 4,-0.1 1,-0.1 -3,-0.0 0.040 49.3-139.4 -54.9 155.9 80.9 32.5 2.7 552 124 D T S S+ 0 0 62 2,-0.1 -1,-0.1 -261,-0.0 -261,-0.0 0.737 76.9 99.6 -79.9 -23.1 77.8 34.3 1.4 553 125 D E S S- 0 0 109 1,-0.1 2,-1.6 -258,-0.1 5,-0.1 -0.257 82.3-120.8 -75.2 147.6 75.7 31.4 2.7 554 126 D Y + 0 0 20 -338,-0.2 -1,-0.1 4,-0.1 -334,-0.1 -0.612 50.1 173.0 -82.5 79.1 73.8 31.4 6.0 555 127 D D > - 0 0 33 -2,-1.6 4,-2.1 -7,-0.1 5,-0.2 -0.131 48.6 -94.9 -83.9 177.7 75.6 28.4 7.4 556 128 D E H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.817 124.3 56.2 -63.5 -27.3 75.3 26.9 11.0 557 129 D T H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.956 109.0 45.6 -71.2 -47.8 78.4 28.8 12.1 558 130 D K H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.891 112.7 52.9 -55.6 -41.1 76.8 32.1 11.0 559 131 D Y H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.863 108.9 48.1 -67.2 -34.2 73.6 31.0 12.8 560 132 D V H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.934 112.4 47.8 -77.2 -43.4 75.3 30.2 16.0 561 133 D F H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.948 113.5 47.2 -59.6 -46.0 77.2 33.5 16.1 562 134 D E H X S+ 0 0 39 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.906 112.3 51.4 -68.7 -33.1 74.1 35.5 15.3 563 135 D E H X S+ 0 0 24 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.896 112.5 43.9 -72.2 -34.4 72.1 33.6 17.9 564 136 D L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.875 108.4 59.7 -79.4 -27.7 74.6 34.2 20.6 565 137 D E H X S+ 0 0 35 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.945 109.5 40.4 -60.8 -49.1 75.1 37.8 19.7 566 138 D Q H X S+ 0 0 23 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.823 111.4 57.6 -77.1 -30.9 71.5 38.8 20.3 567 139 D T H X S+ 0 0 19 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.924 110.9 43.5 -58.9 -44.7 71.2 36.7 23.4 568 140 D L H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 111.1 54.6 -68.9 -36.9 74.1 38.5 24.9 569 141 D K H X S+ 0 0 109 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.887 109.1 50.2 -61.8 -35.4 72.7 41.9 23.7 570 142 D H H X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.934 109.6 48.4 -70.4 -47.0 69.5 40.9 25.5 571 143 D L H < S+ 0 0 17 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.907 112.1 50.1 -56.4 -42.1 71.2 40.1 28.7 572 144 D I H < S+ 0 0 28 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.937 114.9 41.7 -66.4 -46.5 73.2 43.4 28.7 573 145 D E H < 0 0 141 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 360.0 360.0 -71.7 -32.7 70.1 45.6 28.0 574 146 D K < 0 0 115 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.717 360.0 360.0 -56.8 360.0 67.9 43.7 30.5