==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 05-JUL-06 2HKU . COMPND 2 MOLECULE: A PUTATIVE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS SP.; . AUTHOR K.TAN,E.EVDOKIMOVA,O.KAGAN,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIA . 376 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 81.4 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.5 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 0 2 0 3 2 0 0 1 1 4 0 1 1 0 0 1 1 1 0 0 1 1 1 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 18 A Q > 0 0 152 0, 0.0 4,-1.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -80.2 4.6 6.2 16.2 2 19 A T H > + 0 0 26 2,-0.2 4,-2.9 3,-0.1 5,-0.3 0.848 360.0 59.9 -70.3 -41.3 6.2 3.3 18.1 3 20 A R H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.935 108.7 41.7 -39.9 -54.6 9.0 6.0 18.2 4 21 A D H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.864 111.2 54.7 -67.3 -37.7 6.4 8.3 20.0 5 22 A A H X S+ 0 0 35 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.923 111.5 45.7 -60.7 -45.7 5.1 5.4 22.3 6 23 A L H X S+ 0 0 0 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.943 111.4 52.4 -60.0 -46.6 8.7 4.7 23.5 7 24 A F H X S+ 0 0 30 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.915 111.6 45.4 -60.5 -47.5 9.4 8.4 24.0 8 25 A T H X S+ 0 0 99 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.898 115.0 45.3 -62.4 -46.3 6.3 8.9 26.2 9 26 A A H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.961 115.7 49.0 -66.0 -47.1 6.7 5.8 28.3 10 27 A A H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.2 5,-0.4 0.914 109.8 52.3 -54.5 -48.2 10.5 6.7 28.7 11 28 A T H X S+ 0 0 32 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.940 112.2 43.5 -57.6 -50.1 9.6 10.2 29.6 12 29 A E H X S+ 0 0 134 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.930 118.3 43.1 -61.4 -46.4 7.2 9.2 32.4 13 30 A L H X S+ 0 0 26 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.902 115.9 47.3 -72.2 -43.8 9.3 6.4 33.9 14 31 A F H X S+ 0 0 2 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.853 109.7 53.7 -61.3 -42.2 12.6 8.4 33.7 15 32 A L H < S+ 0 0 57 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.877 118.2 36.7 -61.9 -33.4 11.0 11.5 35.2 16 33 A E H < S+ 0 0 124 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.908 135.9 13.0 -84.3 -47.7 9.8 9.4 38.2 17 34 A H H < S- 0 0 122 -4,-2.9 3,-0.4 1,-0.2 -3,-0.2 0.504 96.6-129.5-118.8 -8.4 12.6 6.9 38.8 18 35 A G >< - 0 0 21 -4,-1.5 3,-1.5 -5,-0.4 -1,-0.2 -0.187 51.4 -35.8 89.9-174.0 15.6 8.0 36.9 19 36 A E T 3 S+ 0 0 60 1,-0.3 -1,-0.2 -5,-0.1 -5,-0.1 0.683 118.6 74.9 -62.2 -24.8 18.0 6.4 34.5 20 37 A G T 3 + 0 0 66 -3,-0.4 -1,-0.3 -6,-0.1 -2,-0.1 0.583 62.4 119.4 -67.6 -13.7 18.0 3.0 36.2 21 38 A V S < S- 0 0 8 -3,-1.5 2,-0.1 1,-0.1 5,-0.1 -0.340 73.8-113.4 -44.2 119.6 14.5 2.0 34.9 22 39 A P >> - 0 0 61 0, 0.0 4,-1.2 0, 0.0 3,-1.0 -0.365 11.2-126.1 -62.6 144.7 15.0 -1.1 32.8 23 40 A I H >> S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 3,-0.5 0.882 108.3 63.4 -48.3 -40.6 14.4 -0.8 29.1 24 41 A T H 3> S+ 0 0 94 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.787 101.6 51.1 -57.9 -32.2 12.0 -3.8 29.3 25 42 A Q H <> S+ 0 0 88 -3,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.812 110.3 47.8 -75.5 -36.5 9.7 -1.8 31.5 26 43 A I H S+ 0 0 3 -4,-2.8 5,-2.6 2,-0.2 4,-0.8 0.884 112.3 49.6 -64.2 -43.0 9.0 -1.4 26.2 28 45 A A H ><5S+ 0 0 82 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.956 113.5 48.0 -60.2 -48.2 6.2 -3.1 28.3 29 46 A A H 3<5S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.852 115.8 44.3 -56.4 -39.9 4.8 0.4 29.0 30 47 A A H 3<5S- 0 0 19 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.515 105.4-120.6 -87.3 -4.2 5.0 1.3 25.3 31 48 A G T <<5S+ 0 0 72 -3,-1.0 2,-0.3 -4,-0.8 -3,-0.2 0.831 72.5 137.8 61.8 30.6 3.6 -2.0 23.7 32 49 A A < - 0 0 13 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.724 59.4-121.5-111.2 154.1 7.1 -2.1 22.0 33 50 A H >> - 0 0 104 -2,-0.3 3,-2.6 1,-0.1 4,-0.7 -0.766 30.9-117.5 -87.7 138.7 9.6 -4.7 21.3 34 51 A P H >> S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.816 113.0 69.1 -44.4 -29.0 13.1 -4.1 22.9 35 52 A N H 3> S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.758 87.9 62.2 -58.8 -30.3 14.3 -4.1 19.2 36 53 A Q H <> S+ 0 0 51 -3,-2.6 4,-3.3 2,-0.2 5,-0.3 0.827 96.9 60.0 -70.3 -29.5 12.5 -0.8 18.5 37 54 A V H S+ 0 0 4 -3,-0.8 4,-2.2 -4,-0.7 5,-0.7 0.953 109.0 40.9 -61.0 -47.8 14.7 0.9 21.2 38 55 A T H X5S+ 0 0 90 -4,-1.0 4,-1.3 3,-0.2 -2,-0.2 0.903 117.6 51.5 -68.6 -36.5 17.9 0.0 19.3 39 56 A Y H <5S+ 0 0 178 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.939 120.1 30.8 -58.9 -57.3 16.1 0.9 16.0 40 57 A Y H <5S+ 0 0 59 -4,-3.3 -2,-0.2 1,-0.1 -1,-0.2 0.707 139.4 16.0 -79.7 -20.3 14.9 4.3 17.0 41 58 A Y H <5S- 0 0 5 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.512 81.2-132.7-136.5 -12.8 17.6 5.3 19.5 42 59 A G S < S- 0 0 31 -6,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.926 75.7-101.8 176.7 160.1 20.9 2.6 22.9 44 61 A K H > S+ 0 0 45 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.872 118.1 56.0 -60.5 -42.4 19.3 3.2 26.3 45 62 A E H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.894 106.8 49.6 -64.3 -39.8 21.7 6.1 27.0 46 63 A R H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 109.9 49.3 -68.9 -44.2 20.7 7.9 23.9 47 64 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.940 112.9 50.4 -50.1 -47.4 16.9 7.5 24.7 48 65 A F H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.925 112.2 44.6 -61.3 -51.9 17.6 8.8 28.2 49 66 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.919 114.4 48.7 -62.8 -42.1 19.6 11.9 27.0 50 67 A E H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.959 113.4 47.8 -62.4 -45.2 17.0 12.7 24.3 51 68 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.883 112.7 49.8 -54.9 -42.5 14.2 12.3 26.9 52 69 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 43,-0.2 0.923 111.3 47.4 -68.7 -46.3 16.1 14.5 29.3 53 70 A C H X S+ 0 0 7 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.917 113.4 47.2 -55.9 -55.5 16.7 17.2 26.8 54 71 A A H X S+ 0 0 16 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.933 111.3 54.9 -53.9 -44.0 13.0 17.3 25.5 55 72 A A H X S+ 0 0 8 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.930 110.8 41.5 -56.3 -52.1 11.9 17.4 29.2 56 73 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 35,-0.3 -1,-0.2 0.855 115.0 51.0 -68.4 -35.6 13.9 20.4 30.1 57 74 A L H X S+ 0 0 60 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.910 113.3 45.9 -60.5 -44.6 13.1 22.3 26.9 58 75 A R H X S+ 0 0 169 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.943 112.7 50.9 -67.3 -47.4 9.4 21.6 27.4 59 76 A A H X S+ 0 0 9 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.915 110.3 49.2 -50.8 -46.6 9.7 22.7 31.1 60 77 A G H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.920 112.9 46.6 -62.9 -42.7 11.5 25.9 30.1 61 78 A K H X S+ 0 0 122 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.921 110.8 52.8 -65.7 -41.6 8.8 26.7 27.4 62 79 A R H X S+ 0 0 135 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.921 110.2 48.7 -57.2 -42.1 6.0 25.9 29.9 63 80 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.917 113.8 44.8 -62.7 -48.9 7.5 28.3 32.4 64 81 A E H X S+ 0 0 38 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.869 115.3 50.0 -62.4 -33.8 7.9 31.1 29.8 65 82 A D H >X S+ 0 0 59 -4,-2.7 4,-0.6 2,-0.2 3,-0.5 0.959 111.5 45.8 -73.1 -47.8 4.3 30.3 28.6 66 83 A D H 3< S+ 0 0 68 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.800 112.6 53.7 -66.4 -31.6 2.8 30.4 32.1 67 84 A A H >< S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.3 0.744 97.7 61.9 -69.7 -36.0 4.8 33.6 32.8 68 85 A A H << S+ 0 0 73 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.699 84.9 88.7 -61.7 -20.0 3.4 35.4 29.6 69 86 A T T 3< S+ 0 0 92 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 -0.044 93.2 14.2 -96.3 36.4 -0.0 35.1 31.3 70 87 A A < - 0 0 39 -3,-0.9 -1,-0.2 2,-0.1 2,-0.2 -0.209 64.8-109.8-176.6 158.4 0.2 38.0 33.0 71 88 A E + 0 0 126 -3,-0.2 2,-0.2 -2,-0.1 119,-0.1 -0.460 65.7 90.0 -34.3 132.6 1.4 41.3 33.9 72 89 A T > - 0 0 45 119,-0.6 4,-1.3 117,-0.2 118,-0.1 0.325 59.8-145.1-102.2 177.6 2.8 42.1 36.2 73 90 A V H > S+ 0 0 3 118,-3.3 4,-2.8 115,-0.3 3,-0.3 0.927 104.2 50.7 -62.4 -46.7 6.5 41.8 35.7 74 91 A G H > S+ 0 0 2 115,-2.9 4,-1.8 1,-0.3 -1,-0.2 0.912 115.5 47.6 -54.8 -37.1 7.3 40.8 39.3 75 92 A D H > S+ 0 0 56 114,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.712 105.6 55.1 -79.0 -27.5 4.5 38.3 38.7 76 93 A Y H X S+ 0 0 23 -4,-1.3 4,-2.9 -3,-0.3 -2,-0.2 0.933 111.2 46.9 -67.3 -49.9 6.0 37.1 35.4 77 94 A T H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.852 112.3 49.4 -57.2 -40.1 9.2 36.4 37.2 78 95 A E H X S+ 0 0 106 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.871 114.5 45.5 -68.3 -41.1 7.4 34.6 40.0 79 96 A K H X S+ 0 0 77 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.921 114.4 46.8 -66.9 -47.5 5.5 32.6 37.6 80 97 A L H X S+ 0 0 4 -4,-2.9 4,-1.9 2,-0.2 3,-0.4 0.994 120.2 38.5 -63.3 -51.2 8.5 31.7 35.5 81 98 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.4 0.934 113.9 54.9 -66.6 -46.9 10.8 30.8 38.5 82 99 A G H X S+ 0 0 23 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.3 0.841 108.5 50.2 -54.0 -35.1 8.0 29.1 40.4 83 100 A S H <>S+ 0 0 8 -4,-1.7 5,-3.6 -3,-0.4 6,-0.3 0.950 113.5 42.5 -68.1 -52.5 7.3 26.9 37.3 84 101 A L H <5S+ 0 0 0 -4,-1.9 8,-0.2 1,-0.2 -2,-0.2 0.907 120.5 43.1 -60.6 -40.3 10.9 25.7 36.8 85 102 A L H <5S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.736 126.7 28.4 -83.2 -20.7 11.5 25.2 40.6 86 103 A G T ><5S+ 0 0 27 -4,-1.3 3,-1.5 -5,-0.4 -3,-0.2 0.710 133.8 7.4-104.9 -94.2 8.2 23.6 41.2 87 104 A P T 3 5S+ 0 0 110 0, 0.0 4,-0.2 0, 0.0 -3,-0.2 0.809 132.6 49.3 -64.8 -24.7 6.3 21.6 38.6 88 105 A G T 3> S+ 0 0 9 -3,-1.5 4,-3.2 -6,-0.3 5,-0.3 0.946 78.6 52.0 -65.6 -47.1 11.9 20.6 38.7 90 107 A P H > S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.850 111.2 50.3 -55.4 -34.7 11.9 16.8 37.9 91 108 A S H > S+ 0 0 18 -3,-0.3 4,-1.7 -4,-0.2 -35,-0.3 0.924 113.4 43.6 -65.6 -47.6 12.5 17.8 34.2 92 109 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 -8,-0.2 5,-0.2 0.891 114.4 52.7 -58.7 -45.4 15.5 20.1 35.1 93 110 A E H X S+ 0 0 53 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.949 108.0 49.2 -63.7 -44.9 16.7 17.4 37.5 94 111 A L H X S+ 0 0 8 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.897 111.0 49.9 -53.8 -40.2 16.6 14.8 34.8 95 112 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 -43,-0.2 -2,-0.2 0.889 107.7 53.5 -73.2 -39.2 18.5 17.0 32.5 96 113 A T H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.900 110.5 48.6 -54.9 -40.4 21.2 17.7 35.2 97 114 A S H X S+ 0 0 34 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.922 110.1 51.8 -67.0 -41.5 21.5 13.8 35.5 98 115 A A H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.878 107.5 50.7 -58.6 -44.6 21.9 13.6 31.8 99 116 A X H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 110.4 51.6 -64.1 -33.4 24.7 16.3 31.8 100 117 A L H < S+ 0 0 24 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.722 109.3 48.6 -71.7 -28.6 26.5 14.3 34.5 101 118 A X H < S+ 0 0 41 -4,-1.3 2,-0.9 -3,-0.3 -2,-0.2 0.519 91.5 81.8 -95.2 -3.5 26.4 11.0 32.6 102 119 A T < + 0 0 0 -4,-0.7 -1,-0.1 1,-0.2 -4,-0.0 -0.836 51.5 162.0-102.9 91.9 27.6 12.2 29.3 103 120 A G S S- 0 0 27 -2,-0.9 -1,-0.2 250,-0.0 -2,-0.1 0.970 74.5 -33.0 -69.6 -78.9 31.4 12.3 29.7 104 121 A R S S+ 0 0 209 5,-0.0 2,-0.8 4,-0.0 -2,-0.1 0.311 87.0 129.5-137.1 4.7 32.8 12.4 26.2 105 122 A R >> - 0 0 105 1,-0.2 4,-2.6 2,-0.1 3,-1.4 -0.579 47.2-156.5 -61.5 104.8 30.4 10.4 23.9 106 123 A S H 3> S+ 0 0 80 -2,-0.8 4,-2.2 1,-0.3 5,-0.2 0.809 83.9 63.9 -63.7 -30.2 30.2 13.2 21.3 107 124 A E H 3> S+ 0 0 88 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.914 115.4 32.5 -35.7 -50.4 26.8 11.9 20.0 108 125 A L H <> S+ 0 0 2 -3,-1.4 4,-1.5 1,-0.3 3,-0.3 0.761 110.2 59.4-122.0 -43.4 25.5 12.6 23.1 109 126 A R H X S+ 0 0 107 -4,-2.6 4,-2.9 1,-0.2 -1,-0.3 0.826 103.6 59.7 -50.6 -38.5 27.4 15.7 24.3 110 127 A D H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 -2,-0.3 0.851 102.6 49.9 -64.6 -36.3 26.1 17.4 21.2 111 128 A L H X S+ 0 0 38 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.922 114.0 46.8 -63.5 -45.4 22.4 16.9 22.3 112 129 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.917 115.1 44.4 -62.2 -53.3 23.4 18.3 25.7 113 130 A T H X S+ 0 0 26 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.873 112.9 50.0 -66.1 -38.8 25.2 21.3 24.3 114 131 A D H X S+ 0 0 102 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.915 111.8 49.6 -60.8 -42.8 22.6 22.1 21.8 115 132 A T H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 111.6 49.4 -61.7 -44.6 20.0 21.9 24.6 116 133 A L H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.885 109.4 49.3 -62.4 -47.7 22.0 24.2 26.8 117 134 A R H X S+ 0 0 180 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.880 112.6 49.6 -59.5 -39.8 22.6 26.8 24.1 118 135 A T H X S+ 0 0 74 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.872 110.5 49.1 -66.5 -44.0 18.8 26.8 23.4 119 136 A L H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.935 114.7 46.7 -57.6 -46.5 17.9 27.2 27.1 120 137 A H H X S+ 0 0 15 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.918 114.3 45.4 -67.8 -38.9 20.3 30.1 27.3 121 138 A S H X S+ 0 0 62 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.915 110.6 55.7 -62.1 -45.0 19.0 31.8 24.0 122 139 A S H X S+ 0 0 22 -4,-2.6 4,-1.5 1,-0.2 5,-0.2 0.871 105.8 51.6 -59.3 -31.9 15.6 31.2 25.3 123 140 A G H <>S+ 0 0 3 -4,-1.6 5,-2.6 1,-0.2 6,-0.4 0.863 106.4 52.5 -78.2 -37.4 16.5 33.1 28.5 124 141 A E H <>S+ 0 0 48 -4,-1.7 5,-1.2 1,-0.2 -1,-0.2 0.924 116.7 40.0 -53.1 -46.6 17.9 36.1 26.7 125 142 A V H <5S+ 0 0 88 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.618 126.7 28.3 -89.5 -18.0 14.6 36.5 24.6 126 143 A A T X5S+ 0 0 13 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.658 131.3 16.3-103.8 -87.2 12.0 35.7 27.2 127 144 A L H >5S+ 0 0 2 -5,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 128.0 44.2 -49.3 -59.7 13.1 36.6 30.8 128 145 A I H >S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.3 0.878 113.7 48.7 -64.3 -48.7 13.2 42.8 32.3 132 149 A X H ><5S+ 0 0 81 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.838 111.4 48.7 -65.8 -30.7 15.2 45.0 30.0 133 150 A R H 3<5S+ 0 0 176 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.775 110.5 52.4 -85.4 -27.8 12.2 46.5 28.2 134 151 A T T 3<5S- 0 0 23 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.409 132.8 -84.0 -86.3 7.2 10.4 47.1 31.4 135 152 A G T < 5S+ 0 0 44 -3,-0.6 -3,-0.2 -4,-0.3 -2,-0.1 0.198 77.9 140.2 119.9 -17.3 13.4 49.1 32.9 136 153 A W < - 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