==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 17-JAN-12 4AF5 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REPRESSOR ACNR COMPND 2; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR J.GARCIA-NAFRIA,M.BAUMGART,J.P.TURKENBURG,A.J.WILKINSON,M.BO . 173 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 78.6 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 1.2 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 2 1 2 0 1 0 1 0 1 0 0 1 1 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 13 A R > 0 0 135 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -55.7 -8.9 -24.8 8.6 2 14 A Q H > + 0 0 145 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.831 360.0 52.0 -60.5 -34.0 -6.7 -23.8 11.5 3 15 A E H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 110.1 48.1 -67.9 -45.5 -4.5 -22.4 8.8 4 16 A I H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.846 112.0 48.2 -60.2 -41.4 -7.4 -20.5 7.3 5 17 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.922 111.6 48.8 -72.7 -44.1 -8.6 -19.1 10.7 6 18 A E H X S+ 0 0 85 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.929 116.3 43.2 -57.3 -46.4 -5.1 -17.8 11.7 7 19 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.930 113.8 50.0 -73.6 -43.2 -4.6 -16.1 8.4 8 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.821 106.3 55.6 -59.2 -40.3 -8.0 -14.7 8.2 9 21 A R H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.967 111.2 46.6 -59.9 -45.3 -7.7 -13.2 11.8 10 22 A R H X S+ 0 0 145 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.887 113.0 48.7 -57.5 -41.4 -4.6 -11.5 10.5 11 23 A C H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.915 112.2 46.4 -70.7 -45.6 -6.3 -10.3 7.4 12 24 A F H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.869 114.1 49.7 -60.1 -45.9 -9.4 -8.9 9.1 13 25 A A H < S+ 0 0 23 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.943 118.1 38.9 -58.0 -47.4 -7.1 -7.1 11.8 14 26 A E H < S+ 0 0 140 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.806 132.9 21.5 -77.3 -35.0 -4.9 -5.6 9.1 15 27 A H H < S- 0 0 69 -4,-2.6 4,-0.3 1,-0.2 -3,-0.2 0.502 102.3-122.4-115.8 -6.6 -7.6 -4.7 6.5 16 28 A G < - 0 0 12 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 -0.167 38.5 -66.5 86.7 172.3 -10.9 -4.5 8.4 17 29 A Y S S+ 0 0 31 2,-0.2 -1,-0.1 69,-0.1 3,-0.1 0.899 134.1 30.5 -67.6 -46.5 -14.2 -6.4 7.8 18 30 A E S S+ 0 0 77 1,-0.2 -2,-0.1 -3,-0.1 -1,-0.1 0.913 119.5 56.6 -72.9 -47.1 -15.3 -5.0 4.4 19 31 A G S S+ 0 0 31 -4,-0.3 2,-1.7 1,-0.2 -2,-0.2 0.552 80.7 97.3 -63.1 -9.7 -11.6 -4.5 3.4 20 32 A A - 0 0 0 -4,-0.3 -1,-0.2 -3,-0.1 2,-0.1 -0.647 66.6-174.7 -79.9 81.4 -11.0 -8.3 4.1 21 33 A T > - 0 0 52 -2,-1.7 4,-4.0 1,-0.1 5,-0.2 -0.405 41.4-115.9 -81.7 154.8 -11.4 -9.2 0.4 22 34 A V H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.939 123.3 52.9 -48.3 -48.9 -11.4 -12.7 -1.0 23 35 A R H > S+ 0 0 187 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 111.9 43.5 -51.4 -55.8 -8.2 -11.6 -2.7 24 36 A R H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.910 111.3 54.7 -60.8 -41.3 -6.7 -10.5 0.6 25 37 A L H X S+ 0 0 5 -4,-4.0 4,-2.1 2,-0.2 6,-0.2 0.909 109.0 46.5 -60.2 -42.8 -8.0 -13.6 2.4 26 38 A E H X>S+ 0 0 66 -4,-2.6 4,-4.2 -5,-0.2 5,-0.5 0.943 112.7 52.7 -63.5 -45.0 -6.2 -15.9 -0.1 27 39 A E H <5S+ 0 0 139 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.862 112.2 43.5 -56.7 -40.0 -3.2 -13.7 0.3 28 40 A A H <5S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.782 127.5 30.1 -78.1 -26.4 -3.2 -14.1 4.1 29 41 A T H <5S- 0 0 12 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.728 91.3-130.6-100.5 -28.1 -3.9 -17.8 4.0 30 42 A G T <5S+ 0 0 68 -4,-4.2 2,-0.3 1,-0.3 -3,-0.2 0.800 74.1 109.9 69.0 27.8 -2.3 -19.2 0.9 31 43 A K < - 0 0 81 -5,-0.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.817 68.1 -99.3-126.5 169.1 -5.6 -21.0 0.1 32 44 A S > - 0 0 64 -2,-0.3 4,-1.7 -3,-0.1 5,-0.2 -0.490 24.8-111.3 -93.4 160.3 -8.3 -20.4 -2.6 33 45 A R H > S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.747 120.9 51.3 -46.5 -32.7 -11.7 -18.6 -2.7 34 46 A G H > S+ 0 0 35 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.925 109.4 44.3 -79.9 -47.3 -13.1 -22.1 -3.2 35 47 A A H > S+ 0 0 38 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.620 114.8 52.4 -72.9 -17.5 -11.4 -23.9 -0.2 36 48 A I H X S+ 0 0 5 -4,-1.7 4,-1.6 2,-0.2 3,-0.5 0.936 113.8 39.5 -80.0 -58.1 -12.2 -20.9 2.0 37 49 A F H X S+ 0 0 67 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.735 106.3 73.4 -57.8 -19.0 -15.9 -20.8 1.2 38 50 A H H < S+ 0 0 153 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.936 107.6 28.2 -64.0 -49.8 -15.9 -24.7 1.3 39 51 A H H < S+ 0 0 98 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.968 138.4 23.2 -71.6 -50.6 -15.6 -25.0 5.0 40 52 A F H < S- 0 0 21 -4,-1.6 2,-1.4 -5,-0.1 -3,-0.2 0.583 81.8-142.7-105.0 -17.0 -17.3 -21.7 6.0 41 53 A G S < S+ 0 0 45 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.1 -0.602 71.4 7.1 89.0 -75.9 -19.7 -20.6 3.2 42 54 A D S >> S- 0 0 73 -2,-1.4 4,-1.7 -6,-0.1 3,-0.6 -0.849 81.8 -92.7-136.6 171.2 -19.2 -16.8 3.4 43 55 A K H 3> S+ 0 0 52 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.855 119.8 58.4 -46.4 -49.2 -17.1 -14.1 5.1 44 56 A E H 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 106.6 47.6 -55.4 -44.8 -19.7 -13.7 7.9 45 57 A N H <> S+ 0 0 52 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.845 109.9 51.1 -65.4 -36.2 -19.3 -17.3 8.9 46 58 A L H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.921 111.7 50.4 -66.3 -43.1 -15.6 -17.2 8.9 47 59 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.906 109.8 48.6 -53.0 -50.1 -15.9 -14.1 11.1 48 60 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.868 107.8 54.5 -62.2 -40.8 -18.3 -15.9 13.5 49 61 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.880 109.6 47.8 -61.1 -37.3 -15.9 -18.9 13.8 50 62 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.905 111.4 51.0 -67.4 -40.6 -13.1 -16.5 14.8 51 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.887 108.8 51.6 -62.3 -42.0 -15.5 -14.9 17.3 52 64 A R H X S+ 0 0 104 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.864 107.6 52.3 -64.3 -42.3 -16.3 -18.3 18.7 53 65 A E H X S+ 0 0 80 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.925 110.2 47.6 -53.6 -50.3 -12.6 -19.0 19.1 54 66 A D H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.895 112.0 51.7 -56.5 -45.7 -12.1 -15.8 21.0 55 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.904 108.6 49.1 -62.2 -39.9 -15.1 -16.8 23.1 56 68 A A H X S+ 0 0 44 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.875 113.5 47.4 -66.9 -40.2 -13.8 -20.2 24.0 57 69 A R H X S+ 0 0 93 -4,-1.9 4,-2.0 2,-0.2 3,-0.3 0.917 113.8 46.7 -65.7 -47.3 -10.3 -18.8 25.0 58 70 A M H X S+ 0 0 11 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.885 107.3 58.3 -61.7 -37.8 -11.9 -16.1 27.1 59 71 A A H < S+ 0 0 14 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.841 105.0 50.1 -59.9 -38.3 -14.2 -18.7 28.6 60 72 A E H < S+ 0 0 156 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.937 112.0 47.8 -67.7 -41.1 -11.2 -20.7 29.8 61 73 A V H < 0 0 49 -4,-2.0 4,-2.7 1,-0.2 5,-0.9 0.945 360.0 360.0 -62.8 -44.7 -9.7 -17.6 31.3 62 74 A V < 0 0 7 -4,-3.0 4,-0.8 3,-0.2 -1,-0.2 0.905 360.0 360.0 -61.6 360.0 -12.9 -16.6 33.0 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 76 A E 0 0 176 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -53.2 -9.8 -19.6 36.2 65 77 A N - 0 0 68 -4,-2.7 3,-0.2 1,-0.2 -3,-0.2 0.512 360.0-108.0-126.9 -9.4 -9.9 -15.9 37.3 66 78 A G > - 0 0 9 -5,-0.9 4,-1.0 -4,-0.8 -1,-0.2 -0.452 49.6 -54.6 105.7 171.9 -12.9 -14.1 35.9 67 79 A L H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.824 128.7 64.6 -62.4 -30.7 -13.7 -11.4 33.4 68 80 A V H > S+ 0 0 8 1,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.901 99.7 53.1 -61.9 -36.9 -11.2 -9.1 35.2 69 81 A E H > S+ 0 0 55 1,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.868 104.5 53.9 -66.9 -30.6 -8.5 -11.5 34.2 70 82 A V H X S+ 0 0 8 -4,-1.0 4,-2.2 -3,-0.2 -1,-0.2 0.914 110.3 47.8 -63.0 -48.7 -9.6 -11.4 30.5 71 83 A M H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.895 108.9 53.2 -59.6 -44.9 -9.2 -7.6 30.7 72 84 A R H X S+ 0 0 40 -4,-2.5 4,-1.0 2,-0.2 3,-0.3 0.890 107.7 52.5 -53.2 -44.1 -5.8 -8.0 32.4 73 85 A G H >X S+ 0 0 19 -4,-2.2 4,-0.8 1,-0.2 3,-0.7 0.905 103.9 56.3 -61.5 -40.7 -4.8 -10.2 29.5 74 86 A M H 3< S+ 0 0 23 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.813 104.1 53.5 -60.3 -33.1 -5.9 -7.5 27.0 75 87 A L H 3< S+ 0 0 31 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.769 108.2 50.6 -71.5 -27.9 -3.5 -5.0 28.7 76 88 A E H << S+ 0 0 135 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.664 107.8 58.5 -84.2 -10.5 -0.7 -7.5 28.1 77 89 A D >< + 0 0 35 -4,-0.8 3,-1.7 -3,-0.3 -1,-0.2 -0.530 48.0 157.7-123.1 65.0 -1.5 -7.9 24.4 78 90 A P G > S+ 0 0 77 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.812 70.4 73.4 -60.4 -25.5 -1.4 -4.7 22.4 79 91 A E G 3 S+ 0 0 128 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.739 90.8 58.6 -59.3 -21.6 -0.9 -6.7 19.1 80 92 A R G <> S+ 0 0 104 -3,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.429 75.1 94.8 -89.5 -1.1 -4.5 -7.8 19.2 81 93 A Y H <> S+ 0 0 41 -3,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.899 79.8 58.9 -56.7 -39.5 -6.0 -4.3 19.2 82 94 A D H > S+ 0 0 98 -3,-0.5 4,-1.4 -4,-0.3 -1,-0.2 0.906 106.5 47.3 -59.8 -41.5 -6.4 -4.4 15.4 83 95 A W H > S+ 0 0 14 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.890 106.2 58.0 -64.9 -40.3 -8.7 -7.5 15.7 84 96 A M H X S+ 0 0 14 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.929 103.9 53.1 -55.4 -46.0 -10.8 -5.9 18.4 85 97 A S H X S+ 0 0 42 -4,-1.9 4,-1.0 2,-0.2 3,-0.4 0.876 103.8 56.2 -52.2 -45.6 -11.6 -3.0 16.0 86 98 A V H >X S+ 0 0 1 -4,-1.4 3,-2.0 1,-0.3 4,-0.6 0.989 103.5 55.7 -53.2 -50.2 -12.8 -5.4 13.4 87 99 A R H >< S+ 0 0 32 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.794 106.1 50.0 -52.7 -38.2 -15.1 -6.7 15.9 88 100 A L H >< S+ 0 0 74 -4,-1.1 3,-0.9 -3,-0.4 -1,-0.3 0.523 90.3 77.7 -77.6 -13.9 -16.7 -3.2 16.5 89 101 A E H << S+ 0 0 105 -3,-2.0 3,-0.3 -4,-1.0 -1,-0.2 0.825 89.2 58.3 -64.9 -27.5 -17.3 -2.3 12.8 90 102 A I T S+ 0 0 68 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.831 75.8 42.8 -58.4 -44.0 -22.5 -2.9 15.6 92 104 A K H > S+ 0 0 133 -3,-0.3 4,-3.4 2,-0.2 5,-0.5 0.909 115.7 51.7 -65.8 -41.5 -25.7 -1.8 13.7 93 105 A Q H > S+ 0 0 67 1,-0.2 4,-2.3 -3,-0.2 8,-0.3 0.943 110.5 48.6 -53.8 -49.9 -25.7 -5.1 11.9 94 106 A L H < S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.793 116.6 42.8 -60.7 -29.5 -25.5 -6.8 15.3 95 107 A R H < S+ 0 0 147 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.889 128.3 22.9 -89.6 -43.1 -28.3 -4.7 16.7 96 108 A T H < S+ 0 0 72 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.770 99.2 82.7-101.1 -27.5 -30.8 -4.7 13.8 97 109 A D X - 0 0 60 -4,-2.3 4,-3.1 -5,-0.5 5,-0.2 -0.702 61.6-164.9 -85.7 106.7 -30.1 -7.8 11.7 98 110 A P H > S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.780 82.4 46.9 -67.6 -36.1 -32.0 -10.5 13.6 99 111 A V H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.1 5,-0.1 0.900 116.1 45.3 -72.0 -41.2 -30.4 -13.6 12.0 100 112 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 112.0 54.1 -66.8 -44.8 -26.9 -12.2 12.3 101 113 A R H X S+ 0 0 88 -4,-3.1 4,-3.0 -8,-0.3 -1,-0.2 0.895 109.1 46.9 -50.7 -51.9 -27.7 -11.2 15.9 102 114 A A H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.870 112.3 50.2 -63.5 -40.8 -28.8 -14.7 16.9 103 115 A K H X S+ 0 0 80 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.904 111.0 49.0 -63.2 -43.9 -25.8 -16.2 15.2 104 116 A W H X S+ 0 0 41 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.958 112.9 47.5 -57.5 -53.2 -23.4 -13.8 17.1 105 117 A I H >< S+ 0 0 106 -4,-3.0 3,-1.2 1,-0.2 4,-0.4 0.939 112.0 49.2 -59.6 -46.7 -25.1 -14.5 20.4 106 118 A D H >< S+ 0 0 99 -4,-2.5 3,-1.1 1,-0.3 4,-0.3 0.866 108.0 54.4 -57.2 -37.2 -25.0 -18.3 19.8 107 119 A H H 3< S+ 0 0 32 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.634 110.0 48.5 -75.8 -13.4 -21.3 -18.1 18.9 108 120 A Q T XX S+ 0 0 27 -3,-1.2 4,-2.2 -4,-0.8 3,-1.1 0.411 80.4 102.4 -95.9 -0.5 -20.7 -16.3 22.2 109 121 A S H <> S+ 0 0 54 -3,-1.1 4,-2.6 -4,-0.4 5,-0.2 0.781 72.2 59.8 -66.9 -26.1 -22.6 -18.8 24.4 110 122 A V H 3> S+ 0 0 76 -4,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.866 111.1 43.0 -67.6 -36.8 -19.5 -20.6 25.7 111 123 A L H <> S+ 0 0 9 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.908 111.6 52.3 -71.6 -49.5 -18.3 -17.3 27.2 112 124 A D H X S+ 0 0 67 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 112.8 46.4 -53.2 -44.6 -21.7 -16.3 28.5 113 125 A E H X S+ 0 0 133 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.905 110.5 52.6 -65.3 -38.9 -22.0 -19.7 30.3 114 126 A A H X S+ 0 0 21 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.884 109.4 49.7 -66.0 -40.9 -18.4 -19.4 31.7 115 127 A V H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.915 111.7 48.3 -62.7 -47.2 -19.2 -16.0 33.2 116 128 A R H X S+ 0 0 101 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.923 112.8 48.1 -58.0 -40.0 -22.4 -17.3 34.8 117 129 A V H X S+ 0 0 76 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.932 111.9 49.5 -66.7 -48.3 -20.7 -20.3 36.2 118 130 A R H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 112.4 46.0 -55.3 -51.7 -17.8 -18.2 37.6 119 131 A L H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.876 110.8 54.1 -60.4 -37.9 -20.1 -15.8 39.3 120 132 A S H X S+ 0 0 78 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.911 108.9 48.9 -60.9 -43.5 -22.2 -18.6 40.6 121 133 A R H X S+ 0 0 136 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 110.7 50.9 -64.6 -40.6 -19.0 -20.1 42.2 122 134 A N H <>S+ 0 0 18 -4,-2.3 5,-2.7 2,-0.2 6,-0.5 0.927 111.7 46.7 -59.6 -44.5 -18.1 -16.7 43.7 123 135 A V H ><5S+ 0 0 70 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.955 109.9 54.1 -62.7 -46.7 -21.6 -16.3 45.2 124 136 A D H 3<5S+ 0 0 144 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 109.4 48.9 -58.6 -32.5 -21.4 -19.9 46.5 125 137 A K T 3<5S- 0 0 108 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.496 114.4-118.0 -84.8 -3.4 -18.1 -19.1 48.2 126 138 A G T < 5S+ 0 0 36 -3,-2.2 -3,-0.2 -4,-0.3 -2,-0.1 0.740 77.0 124.9 73.7 26.1 -19.5 -15.9 49.8 127 139 A Q < + 0 0 90 -5,-2.7 47,-2.2 -6,-0.2 2,-0.3 0.703 50.1 74.3 -96.5 -16.0 -17.1 -13.6 47.9 128 140 A M B S-A 173 0A 8 -6,-0.5 45,-0.3 45,-0.3 44,-0.1 -0.647 90.5-100.1 -96.1 154.4 -19.4 -11.2 46.1 129 141 A R - 0 0 78 43,-2.6 45,-0.1 -2,-0.3 3,-0.1 -0.366 27.6-159.6 -61.8 151.8 -21.4 -8.4 47.7 130 142 A T S S+ 0 0 109 1,-0.1 -1,-0.1 -4,-0.1 4,-0.1 0.392 76.4 79.5-119.8 3.2 -25.0 -9.5 48.3 131 143 A D S S+ 0 0 114 2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.583 93.2 53.8 -81.6 -7.5 -26.6 -6.0 48.5 132 144 A V S S- 0 0 32 -3,-0.1 5,-0.1 40,-0.1 -1,-0.1 -0.994 102.5-105.3-125.2 127.8 -26.6 -5.7 44.8 133 145 A P >> - 0 0 91 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.207 26.8-121.4 -52.6 141.8 -28.3 -8.6 42.7 134 146 A I H 3> S+ 0 0 62 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.867 111.8 61.1 -56.4 -35.2 -25.8 -10.8 41.1 135 147 A E H 3> S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.798 102.8 50.3 -68.0 -25.9 -27.3 -10.0 37.7 136 148 A V H <> S+ 0 0 80 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.901 110.2 51.1 -70.9 -42.8 -26.5 -6.3 38.1 137 149 A L H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.897 110.2 49.9 -57.6 -42.5 -22.9 -7.3 39.0 138 150 A H H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.943 110.7 47.3 -65.3 -45.4 -22.8 -9.4 35.9 139 151 A T H X S+ 0 0 86 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.881 110.7 54.1 -65.4 -37.8 -24.1 -6.6 33.7 140 152 A F H X S+ 0 0 67 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.959 109.7 47.3 -59.4 -47.1 -21.5 -4.2 35.3 141 153 A L H X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.891 112.2 48.1 -61.7 -38.3 -18.7 -6.6 34.5 142 154 A E H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.832 110.6 52.8 -72.7 -37.8 -19.8 -7.0 30.9 143 155 A T H X S+ 0 0 87 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 108.5 49.7 -60.3 -46.4 -20.2 -3.3 30.5 144 156 A V H X S+ 0 0 23 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.942 110.3 52.1 -59.7 -41.7 -16.6 -2.7 31.8 145 157 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.920 108.6 47.7 -61.9 -41.9 -15.4 -5.3 29.3 146 158 A D H X S+ 0 0 98 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.829 111.5 54.1 -65.2 -37.6 -17.1 -3.7 26.4 147 159 A G H X S+ 0 0 30 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.904 108.0 48.4 -60.4 -47.6 -15.6 -0.4 27.6 148 160 A F H X S+ 0 0 10 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.941 111.6 49.2 -58.1 -51.0 -12.1 -1.9 27.6 149 161 A I H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.934 114.3 45.6 -54.7 -48.8 -12.5 -3.3 24.2 150 162 A S H X S+ 0 0 49 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.926 115.3 45.0 -62.5 -46.0 -13.7 0.0 22.8 151 163 A R H <>S+ 0 0 123 -4,-2.6 5,-2.5 1,-0.2 4,-0.3 0.909 117.0 44.6 -71.1 -40.1 -11.1 2.2 24.5 152 164 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.3 -5,-0.3 -1,-0.2 0.916 112.3 52.1 -74.8 -37.9 -8.3 -0.0 23.6 153 165 A A H 3<5S+ 0 0 16 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.729 109.0 51.2 -62.7 -29.8 -9.6 -0.4 20.1 154 166 A T T 3<5S- 0 0 106 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.343 125.0 -96.3 -97.2 8.4 -9.8 3.3 19.6 155 167 A G T < 5 + 0 0 65 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.653 65.0 155.9 92.5 16.3 -6.2 4.0 20.8 156 168 A A < - 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