==== 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 DNA BINDING PROTEIN 04-FEB-09 3G56 . COMPND 2 MOLECULE: REGULATOR OF MACROLIDE 2'-PHOSPHOTRANSFERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.ZHENG,V.SAGAR,A.SMOLINSKY,C.BOURKE,N.LARONDE-LEBLANC,T.A.C . 359 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 75.2 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 . 1 0.3 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 . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 4 1 1 0 0 0 1 2 2 0 3 1 1 1 1 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 . 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 8 A S > 0 0 123 0, 0.0 2,-2.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -4.1 26.5 12.0 46.1 2 9 A D T 3> + 0 0 79 1,-0.3 4,-0.7 2,-0.1 3,-0.0 -0.079 360.0 48.9 35.7 -47.4 27.8 11.8 42.4 3 10 A D H 3> S+ 0 0 112 -2,-2.8 4,-0.7 2,-0.2 -1,-0.3 0.542 102.8 61.8 -88.3 -11.3 26.4 8.3 41.5 4 11 A E H <> S+ 0 0 32 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.751 98.6 62.8 -69.7 -29.1 23.0 9.3 42.9 5 12 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.875 102.2 43.0 -74.1 -45.0 23.3 11.8 40.1 6 13 A L H X S+ 0 0 22 -4,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.720 114.5 53.5 -74.5 -24.3 23.3 9.3 37.1 7 14 A E H X S+ 0 0 151 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.972 114.0 39.8 -64.1 -59.8 20.5 7.4 38.9 8 15 A A H X S+ 0 0 12 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.935 116.2 54.7 -51.8 -45.1 18.4 10.5 39.1 9 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.866 102.4 52.8 -66.9 -37.6 19.6 11.5 35.6 10 17 A T H X S+ 0 0 74 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.920 107.3 55.1 -62.7 -39.7 18.5 8.2 34.0 11 18 A V H X S+ 0 0 69 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.772 109.6 46.7 -54.7 -35.5 15.0 8.8 35.5 12 19 A V H X S+ 0 0 2 -4,-1.2 4,-2.1 -3,-0.2 5,-0.3 0.882 110.5 50.7 -75.0 -44.3 14.9 12.2 33.8 13 20 A L H X S+ 0 0 20 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.940 109.9 50.9 -56.6 -52.4 16.1 10.9 30.5 14 21 A K H < S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.921 112.9 49.3 -40.7 -54.9 13.4 8.1 30.6 15 22 A R H < S+ 0 0 156 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 130.3 7.8 -61.5 -40.0 10.7 10.9 31.4 16 23 A C H X S- 0 0 48 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.365 98.3-114.4-136.9 5.5 11.4 13.5 28.7 17 24 A G H X - 0 0 0 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.089 40.8 -72.4 78.1 166.1 14.0 12.2 26.1 18 25 A P H 4 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 30,-0.1 0.630 126.0 57.1 -77.7 -19.2 17.6 13.3 25.3 19 26 A I H 4 S+ 0 0 50 -3,-0.2 -2,-0.1 1,-0.2 -6,-0.0 0.883 117.2 32.9 -80.8 -41.4 16.6 16.6 23.6 20 27 A E H < S+ 0 0 132 -4,-0.7 2,-0.2 -7,-0.1 -1,-0.2 0.496 93.1 109.4 -89.2 -3.5 14.6 17.9 26.6 21 28 A F < + 0 0 0 -4,-0.8 2,-0.3 -5,-0.1 23,-0.1 -0.565 48.7 169.7 -69.4 128.5 17.0 16.2 29.1 22 29 A T > - 0 0 52 -2,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.973 50.3-112.2-140.8 158.3 18.9 19.2 30.8 23 30 A L H > S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.841 117.9 57.9 -57.9 -33.3 21.2 19.6 33.7 24 31 A S H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 103.2 50.9 -64.1 -44.1 18.4 21.7 35.4 25 32 A G H > S+ 0 0 17 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.882 113.9 45.0 -60.6 -40.8 15.9 18.8 35.2 26 33 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 5,-0.3 0.866 109.8 54.7 -70.2 -38.5 18.4 16.4 36.8 27 34 A A H X>S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-2.2 0.918 112.4 45.3 -64.6 -42.6 19.4 19.0 39.4 28 35 A K H <5S+ 0 0 160 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.977 112.9 48.2 -58.3 -54.1 15.7 19.1 40.2 29 36 A E H <5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.786 121.8 37.3 -57.6 -26.2 15.2 15.2 40.2 30 37 A V H <5S- 0 0 43 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.775 110.9-116.2-105.5 -29.7 18.2 14.9 42.5 31 38 A G T <5S+ 0 0 64 -4,-2.7 2,-0.3 1,-0.4 -3,-0.2 0.795 74.5 103.8 98.5 34.1 17.8 17.9 44.7 32 39 A L S - 0 0 64 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.566 23.3-124.5 -97.2 153.4 21.2 23.2 41.9 34 41 A R H > S+ 0 0 123 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.901 114.0 59.7 -51.0 -47.6 21.7 23.6 38.3 35 42 A A H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 105.9 45.7 -49.1 -51.9 24.9 25.5 39.2 36 43 A A H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.846 111.4 52.7 -60.8 -39.4 26.3 22.5 40.9 37 44 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.889 108.5 51.2 -69.3 -38.2 25.3 20.1 38.1 38 45 A I H X S+ 0 0 68 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.841 111.8 44.7 -62.4 -39.2 27.1 22.4 35.6 39 46 A Q H < S+ 0 0 157 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.791 118.1 45.8 -82.9 -25.1 30.3 22.5 37.5 40 47 A R H < S+ 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.932 133.9 12.4 -73.7 -49.6 30.2 18.8 38.1 41 48 A F H < S- 0 0 14 -4,-3.0 2,-2.9 -5,-0.2 6,-0.2 0.458 80.8-148.3-112.7 1.0 29.3 17.6 34.5 42 49 A T < + 0 0 91 -4,-1.9 2,-0.3 -5,-0.3 -1,-0.1 -0.269 69.3 8.4 62.2 -61.5 29.8 20.7 32.4 43 50 A N S > S- 0 0 76 -2,-2.9 4,-2.0 1,-0.1 5,-0.1 -0.916 76.4 -99.4-143.6 173.1 27.0 19.9 29.9 44 51 A R H > S+ 0 0 62 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.894 118.7 49.5 -51.5 -46.1 24.1 17.6 29.0 45 52 A D H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.818 106.8 51.6 -73.8 -41.4 26.1 15.5 26.6 46 53 A T H > S+ 0 0 47 -5,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.937 111.5 51.2 -51.0 -49.6 29.1 14.8 29.0 47 54 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 -6,-0.2 -2,-0.2 0.846 109.1 48.3 -62.7 -36.9 26.5 13.7 31.5 48 55 A L H X S+ 0 0 8 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.906 107.0 58.0 -70.8 -36.2 24.8 11.3 29.0 49 56 A V H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.888 110.8 43.2 -54.3 -32.7 28.3 9.9 28.1 50 57 A R H X S+ 0 0 87 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.866 112.4 49.6 -83.2 -44.7 28.8 9.0 31.8 51 58 A M H X S+ 0 0 12 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.930 117.3 43.0 -61.9 -47.2 25.3 7.6 32.3 52 59 A M H X S+ 0 0 21 -4,-2.7 4,-4.0 2,-0.3 5,-0.3 0.913 108.0 57.9 -61.8 -46.6 25.8 5.5 29.1 53 60 A E H X S+ 0 0 65 -4,-2.1 4,-1.1 1,-0.3 -1,-0.2 0.885 113.9 41.5 -54.2 -35.0 29.4 4.5 30.0 54 61 A R H X S+ 0 0 54 -4,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.767 110.3 57.0 -80.2 -28.9 27.8 3.1 33.1 55 62 A G H X S+ 0 0 35 -4,-1.2 4,-1.7 2,-0.2 3,-0.4 0.958 104.5 51.5 -69.5 -47.9 24.9 1.7 31.1 56 63 A V H X S+ 0 0 3 -4,-4.0 4,-2.5 1,-0.2 5,-0.2 0.884 109.0 53.9 -50.8 -38.8 27.3 -0.3 29.0 57 64 A E H X S+ 0 0 108 -4,-1.1 4,-1.1 -5,-0.3 -1,-0.2 0.818 105.2 50.3 -72.1 -32.6 28.9 -1.6 32.3 58 65 A Q H X S+ 0 0 69 -4,-1.8 4,-2.2 -3,-0.4 -1,-0.2 0.829 113.8 48.0 -72.1 -27.5 25.6 -2.9 33.8 59 66 A V H >X S+ 0 0 40 -4,-1.7 4,-2.5 2,-0.2 3,-0.7 0.989 108.7 49.8 -70.6 -68.3 25.0 -4.7 30.5 60 67 A R H 3X S+ 0 0 100 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.794 117.8 47.4 -32.5 -33.2 28.5 -6.3 30.1 61 68 A H H 3X S+ 0 0 137 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.3 0.834 108.7 47.4 -93.8 -37.9 27.8 -7.3 33.7 62 69 A Y H XX S+ 0 0 143 -4,-2.2 3,-1.4 -3,-0.7 4,-1.3 0.979 112.8 53.2 -55.7 -53.8 24.1 -8.8 33.4 63 70 A L H >< S+ 0 0 12 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.868 108.1 48.4 -49.3 -75.6 25.3 -10.7 30.4 64 71 A N H 3< S+ 0 0 123 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.574 103.4 60.9 -14.0 -46.7 28.2 -12.3 32.3 65 72 A A H << S+ 0 0 79 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.797 83.6 90.5 -72.2 -26.2 26.1 -13.3 35.4 66 73 A I S << S- 0 0 29 -3,-2.2 2,-0.3 -4,-1.3 12,-0.0 -0.538 82.3-135.2 -65.2 112.6 23.9 -15.5 33.1 67 74 A P - 0 0 121 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.649 25.5-104.2 -78.1 138.1 25.7 -19.0 33.2 68 75 A I - 0 0 107 -2,-0.3 7,-0.1 -4,-0.1 56,-0.1 -0.438 50.9-158.6 -63.5 104.7 26.0 -20.6 29.8 69 76 A G - 0 0 50 -2,-0.6 2,-0.6 5,-0.2 5,-0.1 0.169 17.4 -70.6 -83.2-168.6 23.3 -23.4 29.8 70 77 A A S > S- 0 0 87 4,-0.1 4,-1.1 3,-0.1 3,-0.3 -0.771 71.7 -44.7-101.4 115.5 22.5 -26.6 28.0 71 78 A G H >> S- 0 0 32 -2,-0.6 4,-1.8 2,-0.2 3,-0.6 -0.015 96.6 -37.2 83.1 177.9 21.3 -27.1 24.4 72 79 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.767 140.1 59.7 -44.4 -28.1 18.8 -25.4 22.1 73 80 A Q H 3> S+ 0 0 70 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.869 98.7 55.5 -78.3 -28.0 16.9 -25.2 25.4 74 81 A G H X S+ 0 0 18 -4,-2.6 4,-2.9 -5,-0.2 3,-0.5 0.984 111.3 48.3 -59.8 -55.3 18.3 -17.3 27.9 79 86 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.3 5,-0.2 0.862 109.3 55.4 -56.2 -40.3 16.6 -15.4 25.0 80 87 A Q H 3X S+ 0 0 20 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.3 0.917 109.8 44.9 -56.6 -45.9 13.5 -15.5 27.0 81 88 A V H < S+ 0 0 3 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.889 109.2 56.1 -76.6 -44.5 13.6 -10.3 26.1 84 91 A R H 3< S+ 0 0 153 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.821 99.0 65.8 -60.6 -30.8 11.4 -10.2 29.2 85 92 A S T 3< S+ 0 0 68 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.441 74.1 104.8 -63.8 -8.8 13.9 -7.7 30.8 86 93 A M < 0 0 63 -3,-1.7 71,-0.1 1,-0.1 70,-0.1 -0.735 360.0 360.0 -78.9 119.9 13.1 -4.9 28.2 87 94 A N 0 0 185 -2,-0.6 -2,-0.1 3,-0.0 -1,-0.1 -0.630 360.0 360.0 -88.2 360.0 11.0 -2.2 29.9 88 ! 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 89 98 A D 0 0 144 0, 0.0 -73,-0.0 0, 0.0 -75,-0.0 0.000 360.0 360.0 360.0 -83.1 6.7 6.3 26.8 90 99 A F > + 0 0 37 59,-0.0 3,-1.4 0, 0.0 4,-0.3 0.230 360.0 71.1-165.3 -32.2 8.6 3.7 24.9 91 100 A S T 3> S+ 0 0 8 1,-0.3 4,-1.0 2,-0.2 194,-0.1 0.407 82.4 83.9 -80.7 -3.1 9.2 5.5 21.5 92 101 A V H 3> S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.716 81.8 57.1 -67.9 -22.2 11.5 7.5 23.8 93 102 A N H <> S+ 0 0 64 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.717 102.8 54.0 -85.0 -18.0 14.1 4.7 23.2 94 103 A Y H > S+ 0 0 43 -4,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.812 110.5 45.3 -77.7 -29.1 13.8 5.4 19.5 95 104 A L H X S+ 0 0 6 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.899 114.4 50.1 -73.4 -42.8 14.5 9.0 20.4 96 105 A I H X S+ 0 0 28 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.881 112.6 45.1 -61.1 -42.6 17.4 7.8 22.6 97 106 A S H X S+ 0 0 45 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.756 110.3 55.5 -74.1 -30.1 18.8 5.5 19.9 98 107 A W H < S+ 0 0 32 -4,-1.1 3,-0.4 180,-0.2 -1,-0.2 0.930 111.7 42.8 -62.2 -38.6 18.5 8.4 17.4 99 108 A Y H >X S+ 0 0 17 -4,-1.7 3,-1.5 1,-0.2 4,-1.2 0.840 104.0 65.7 -84.6 -29.8 20.6 10.7 19.7 100 109 A E H 3< S+ 0 0 23 -4,-2.0 10,-0.2 1,-0.3 -1,-0.2 0.835 102.6 48.4 -57.2 -26.5 23.1 7.9 20.5 101 110 A L T 3< S+ 0 0 27 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.479 104.9 62.8 -89.7 -8.4 24.1 8.0 16.8 102 111 A Q T <4 S+ 0 0 66 -3,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.828 96.9 54.1 -86.6 -32.9 24.4 11.8 17.0 103 112 A V S >X S- 0 0 27 -4,-1.2 4,-2.6 1,-0.2 3,-2.4 -0.918 76.4-145.7-110.3 108.2 27.1 12.1 19.6 104 113 A P H 3> S+ 0 0 96 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.785 101.7 56.2 -39.5 -36.0 30.3 10.1 18.5 105 114 A E H 3> S+ 0 0 113 2,-0.2 4,-0.9 1,-0.2 -5,-0.1 0.791 111.1 42.8 -69.6 -29.8 30.9 9.4 22.1 106 115 A L H <> S+ 0 0 5 -3,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.880 110.9 55.3 -79.5 -45.9 27.5 7.9 22.5 107 116 A R H X S+ 0 0 67 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.920 105.6 54.0 -55.7 -42.9 27.8 6.1 19.1 108 117 A T H X S+ 0 0 75 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.932 112.5 42.0 -53.3 -44.6 31.0 4.5 20.4 109 118 A L H X S+ 0 0 11 -4,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.769 109.3 57.0 -81.4 -23.0 29.3 3.2 23.4 110 119 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 -10,-0.2 3,-0.2 0.953 108.7 50.5 -65.8 -48.7 26.1 2.1 21.5 111 120 A I H X S+ 0 0 33 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.881 110.2 48.9 -50.7 -46.2 28.4 -0.0 19.4 112 121 A Q H X S+ 0 0 66 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.842 109.3 52.1 -65.9 -31.0 29.9 -1.4 22.6 113 122 A R H X S+ 0 0 61 -4,-1.5 4,-1.3 -3,-0.2 -2,-0.2 0.917 113.4 43.0 -67.9 -39.0 26.5 -2.2 24.0 114 123 A N H X S+ 0 0 20 -4,-2.0 4,-3.5 2,-0.2 3,-0.3 0.942 112.9 51.2 -80.9 -57.5 25.3 -4.2 20.9 115 124 A R H X S+ 0 0 149 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.943 112.1 50.2 -34.6 -54.9 28.6 -6.1 20.4 116 125 A A H X S+ 0 0 17 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.851 112.1 44.4 -56.9 -44.0 28.3 -7.0 24.0 117 126 A V H X S+ 0 0 30 -4,-1.3 4,-1.0 -3,-0.3 -2,-0.2 0.879 113.2 51.2 -73.6 -38.9 24.7 -8.2 23.6 118 127 A V H >X S+ 0 0 24 -4,-3.5 4,-2.5 1,-0.2 3,-0.6 0.936 109.8 53.5 -59.4 -42.4 25.6 -10.2 20.3 119 128 A E H 3X S+ 0 0 87 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107.4 54.4 -56.8 -31.8 9.6 21.1 -1.5 193 16 B A H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.759 106.6 51.3 -77.5 -25.7 8.9 20.1 2.1 194 17 B T H X S+ 0 0 49 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.968 105.4 52.5 -66.4 -61.3 11.0 17.0 1.6 195 18 B V H < S+ 0 0 61 -4,-1.9 4,-0.2 1,-0.2 -2,-0.2 0.878 120.4 40.9 -37.9 -45.3 14.0 19.0 0.3 196 19 B V H >X S+ 0 0 15 -4,-1.7 3,-2.6 2,-0.2 4,-1.1 0.915 109.4 51.7 -69.7 -50.6 13.4 20.9 3.6 197 20 B L H 3X S+ 0 0 29 -4,-2.7 4,-0.7 1,-0.3 -2,-0.2 0.529 97.4 72.3 -79.1 -2.5 12.6 18.1 6.1 198 21 B K H 3< S+ 0 0 158 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.728 104.5 39.5 -69.8 -25.8 15.8 16.6 4.9 199 22 B R H <4 S+ 0 0 182 -3,-2.6 -2,-0.2 -4,-0.2 -1,-0.1 0.826 123.8 30.5 -87.8 -32.3 17.5 19.5 6.9 200 23 B C H X S- 0 0 35 -4,-1.1 4,-0.6 1,-0.1 3,-0.2 0.668 85.8-135.9-111.7 -24.2 15.6 19.8 10.0 201 24 B G T >< - 0 0 1 -4,-0.7 3,-0.7 -5,-0.2 4,-0.5 0.039 48.8 -66.7 65.8 164.1 14.1 16.6 11.2 202 25 B P T 34 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.707 129.4 57.8 -43.0 -43.6 10.4 16.7 12.4 203 26 B I T 34 S+ 0 0 60 1,-0.2 -2,-0.1 -3,-0.2 -3,-0.0 0.831 114.9 34.5 -74.7 -32.1 10.9 18.8 15.5 204 27 B E S << S+ 0 0 82 -3,-0.7 -1,-0.2 -4,-0.6 2,-0.2 0.357 88.3 121.7-108.7 2.2 12.4 21.8 13.7 205 28 B F + 0 0 3 -4,-0.5 2,-0.3 -3,-0.3 23,-0.1 -0.465 38.0 174.2 -69.6 126.9 10.2 21.4 10.6 206 29 B T > - 0 0 70 -2,-0.2 4,-1.5 1,-0.1 3,-0.3 -0.996 44.5-128.2-135.0 146.8 8.2 24.6 9.9 207 30 B L H > S+ 0 0 16 -2,-0.3 4,-3.8 1,-0.2 5,-0.2 0.900 109.5 70.9 -52.2 -41.8 5.9 25.9 7.1 208 31 B S H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 101.7 39.3 -38.1 -59.4 8.1 28.9 7.3 209 32 B G H > S+ 0 0 26 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.861 113.6 55.4 -64.5 -34.2 11.0 27.0 5.7 210 33 B V H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 5,-0.5 0.952 105.1 53.2 -68.5 -39.9 8.8 25.2 3.3 211 34 B A H X>S+ 0 0 5 -4,-3.8 4,-2.3 1,-0.2 5,-1.8 0.930 107.7 50.3 -61.3 -49.1 7.5 28.5 2.0 212 35 B K H <5S+ 0 0 85 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.961 114.2 47.3 -42.7 -57.4 11.0 29.7 1.4 213 36 B E H <5S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 118.3 35.1 -55.8 -59.8 11.7 26.5 -0.6 214 37 B V H <5S- 0 0 14 -4,-2.6 -1,-0.2 -25,-0.1 -2,-0.2 0.687 112.3-116.6 -68.6 -24.6 8.6 26.2 -2.8 215 38 B G T <5S+ 0 0 58 -4,-2.3 2,-0.3 -5,-0.5 -3,-0.2 0.942 71.9 113.2 84.9 48.2 8.5 30.0 -3.2 216 39 B L < - 0 0 36 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.887 68.9 -88.6-136.0 171.1 5.2 31.1 -1.7 217 40 B S > - 0 0 69 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.300 29.8-120.0 -78.0 168.6 4.3 33.1 1.5 218 41 B R H > S+ 0 0 74 1,-0.2 4,-3.3 2,-0.2 5,-0.1 0.831 115.1 57.3 -82.6 -31.6 3.9 31.6 4.9 219 42 B A H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 105.1 51.3 -60.6 -41.8 0.3 32.8 5.0 220 43 B A H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.973 113.1 44.5 -68.1 -43.8 -0.4 30.9 1.9 221 44 B L H X S+ 0 0 0 -4,-2.2 4,-3.8 1,-0.2 5,-0.3 0.938 112.1 53.4 -61.0 -40.8 1.1 27.6 3.5 222 45 B I H X S+ 0 0 83 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.899 110.8 43.9 -61.6 -46.4 -0.7 28.2 6.7 223 46 B Q H < S+ 0 0 165 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.846 121.2 42.8 -58.4 -39.8 -4.2 28.6 4.9 224 47 B R H < S+ 0 0 91 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.886 132.5 19.4 -79.6 -39.5 -3.3 25.4 2.6 225 48 B F H < S- 0 0 2 -4,-3.8 2,-2.4 -5,-0.3 5,-0.2 0.486 81.5-148.1-114.3 7.5 -1.8 23.3 5.4 226 49 B T S < S- 0 0 98 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 -0.357 71.0 -10.6 51.2 -68.7 -3.1 24.7 8.8 227 50 B N S > S- 0 0 73 -2,-2.4 4,-1.7 -3,-0.1 3,-0.4 -0.890 79.7 -84.7-148.8-176.6 0.1 23.7 10.7 228 51 B R H > S+ 0 0 70 -2,-0.3 4,-2.1 1,-0.2 -22,-0.1 0.809 121.3 48.2 -67.5 -34.2 3.4 21.8 10.5 229 52 B D H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.651 108.1 55.3 -81.6 -28.3 1.9 18.3 11.6 230 53 B T H > S+ 0 0 57 -3,-0.4 4,-2.3 -5,-0.2 -1,-0.2 0.863 109.7 48.0 -62.3 -41.8 -0.9 18.6 9.1 231 54 B L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.937 111.6 49.0 -62.4 -48.6 1.8 19.1 6.5 232 55 B L H X S+ 0 0 14 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.950 110.2 53.5 -53.8 -49.1 3.7 16.1 7.9 233 56 B V H X S+ 0 0 20 -4,-2.2 4,-2.9 1,-0.3 5,-0.3 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