==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 20-MAR-06 2GEN . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR K.TAN,T.SKARINA,O.ONOPRIYENKO,A.SAVCHENKO,A.EDWARDS, . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 76.1 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 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 0 0 1 0 0 1 1 0 1 0 1 0 0 0 1 0 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 6 A R > 0 0 159 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 102.5 22.7 29.3 73.1 2 7 A K H > + 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.828 360.0 57.7 -56.5 -37.4 20.6 26.1 73.1 3 8 A D H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 104.8 51.9 -61.7 -41.3 22.7 24.7 70.3 4 9 A E H > S+ 0 0 136 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.881 109.5 49.7 -62.2 -42.9 25.8 25.1 72.4 5 10 A I H X S+ 0 0 7 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.928 110.0 50.2 -63.8 -46.5 24.2 23.2 75.3 6 11 A L H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.889 109.1 51.3 -60.1 -38.6 23.1 20.3 73.0 7 12 A Q H X S+ 0 0 79 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.897 109.8 50.4 -68.5 -36.0 26.6 20.0 71.6 8 13 A A H X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.932 110.2 49.8 -61.4 -48.2 28.0 19.8 75.1 9 14 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.945 109.9 51.2 -56.9 -46.9 25.4 17.1 76.0 10 15 A L H X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.923 108.4 51.1 -56.7 -45.8 26.4 15.2 72.9 11 16 A A H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.923 113.2 46.2 -58.5 -43.4 30.1 15.3 73.8 12 17 A C H X>S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 5,-0.6 0.945 112.7 49.2 -62.6 -50.1 29.3 14.0 77.3 13 18 A F H X5S+ 0 0 10 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.850 112.7 47.9 -57.7 -39.3 27.0 11.3 76.0 14 19 A S H <5S+ 0 0 52 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.878 118.2 39.8 -71.7 -39.3 29.6 10.1 73.5 15 20 A E H <5S+ 0 0 119 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.898 134.0 17.4 -76.7 -45.6 32.5 10.1 76.0 16 21 A H H <5S- 0 0 84 -4,-3.0 4,-0.3 -5,-0.2 -3,-0.2 0.587 106.8-110.6-108.6 -13.0 30.7 8.6 79.1 17 22 A G X< - 0 0 31 -4,-1.5 4,-0.7 -5,-0.6 -1,-0.2 -0.050 34.2 -86.1 88.6 157.7 27.6 7.1 77.7 18 23 A V T >4 S+ 0 0 28 2,-0.2 3,-0.9 1,-0.2 -1,-0.1 0.948 124.0 46.7 -66.3 -52.1 24.1 8.4 78.3 19 24 A D T 34 S+ 0 0 125 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.901 113.2 49.4 -62.8 -40.8 23.3 6.7 81.6 20 25 A A T 34 S+ 0 0 64 -4,-0.3 2,-0.3 -7,-0.1 -1,-0.3 0.578 91.8 95.6 -75.3 -12.2 26.6 7.6 83.2 21 26 A T << - 0 0 0 -3,-0.9 2,-0.3 -4,-0.7 23,-0.0 -0.640 59.8-162.6 -78.0 137.1 26.3 11.3 82.1 22 27 A T > - 0 0 49 -2,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.795 34.0-112.1-112.8 161.3 24.9 13.6 84.8 23 28 A I H > S+ 0 0 27 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.819 118.7 61.8 -57.0 -31.4 23.4 17.1 84.4 24 29 A E H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 100.6 51.1 -60.1 -45.1 26.5 18.3 86.4 25 30 A X H > S+ 0 0 75 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.863 109.4 52.2 -60.0 -36.2 28.8 17.0 83.6 26 31 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 6,-0.3 0.907 109.3 47.7 -69.8 -43.4 26.6 19.0 81.0 27 32 A R H X S+ 0 0 86 -4,-2.2 4,-1.9 2,-0.2 5,-0.4 0.904 113.0 49.8 -63.7 -36.9 26.9 22.2 83.0 28 33 A D H < S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 116.5 40.0 -71.7 -38.9 30.7 21.8 83.3 29 34 A R H < S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.853 122.8 41.6 -73.8 -34.3 31.2 21.1 79.6 30 35 A S H < S- 0 0 26 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.655 95.4-133.6 -88.7 -17.9 28.7 23.7 78.5 31 36 A G < + 0 0 73 -4,-1.9 2,-0.3 1,-0.3 -3,-0.1 0.539 66.1 126.3 70.4 6.6 29.6 26.6 80.9 32 37 A A - 0 0 18 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.764 62.7-116.7 -94.0 144.0 25.8 27.0 81.5 33 38 A S > - 0 0 71 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.235 24.8-111.0 -69.7 164.1 24.5 26.9 85.1 34 39 A I H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.909 121.8 53.8 -65.5 -38.7 22.0 24.2 86.2 35 40 A G H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 109.7 48.4 -54.9 -45.6 19.3 26.9 86.4 36 41 A S H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.903 106.9 54.3 -63.9 -44.2 20.1 27.8 82.8 37 42 A L H X>S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-1.7 0.871 113.0 44.7 -57.8 -38.0 20.0 24.2 81.6 38 43 A Y H <5S+ 0 0 117 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.861 111.9 52.2 -73.5 -36.3 16.6 23.9 83.1 39 44 A H H <5S+ 0 0 164 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.953 117.4 36.6 -65.9 -49.7 15.4 27.3 81.7 40 45 A H H <5S- 0 0 66 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.932 145.5 -21.5 -66.3 -48.5 16.4 26.5 78.1 41 46 A F T <5S- 0 0 18 -4,-1.9 2,-0.3 -5,-0.4 -3,-0.2 0.643 80.7-114.6-125.5 -76.8 15.4 22.9 78.3 42 47 A G < - 0 0 9 -5,-1.7 -1,-0.2 1,-0.1 -2,-0.1 -0.956 56.6 -17.6 155.6-151.7 15.0 20.8 81.5 43 48 A N S > S- 0 0 73 -2,-0.3 4,-2.6 -5,-0.1 5,-0.2 -0.043 79.2 -79.4 -80.4-171.8 16.8 17.8 83.0 44 49 A K H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.890 129.1 52.0 -56.3 -46.3 19.2 15.2 81.4 45 50 A E H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.865 111.4 45.8 -60.6 -40.1 16.2 13.2 79.9 46 51 A R H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.930 113.2 49.7 -69.3 -43.3 14.7 16.3 78.3 47 52 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.892 108.4 55.2 -57.7 -43.3 18.1 17.4 77.0 48 53 A H H X S+ 0 0 3 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.924 111.0 43.2 -54.5 -50.1 18.5 13.9 75.6 49 54 A G H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.871 112.5 52.4 -67.2 -37.6 15.2 14.1 73.6 50 55 A E H X S+ 0 0 19 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.893 107.5 53.0 -66.2 -37.8 16.0 17.7 72.4 51 56 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.909 111.1 47.6 -59.7 -42.9 19.4 16.4 71.2 52 57 A Y H X S+ 0 0 13 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.962 113.3 46.0 -61.3 -54.1 17.6 13.7 69.2 53 58 A L H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.868 111.2 52.5 -62.5 -38.7 15.0 16.0 67.7 54 59 A A H X S+ 0 0 32 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.870 108.1 52.9 -62.5 -37.1 17.6 18.6 66.8 55 60 A G H X S+ 0 0 1 -4,-1.8 4,-1.3 2,-0.2 3,-0.4 0.942 112.8 40.6 -66.9 -50.9 19.6 15.9 65.0 56 61 A I H X S+ 0 0 26 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.884 111.6 60.4 -62.7 -33.6 16.7 14.7 62.8 57 62 A G H X S+ 0 0 26 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.819 99.6 56.3 -60.7 -31.8 15.8 18.4 62.4 58 63 A Q H X S+ 0 0 78 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.923 106.2 48.4 -72.2 -40.5 19.2 19.1 60.8 59 64 A Y H X S+ 0 0 46 -4,-1.3 4,-2.0 2,-0.2 3,-0.2 0.951 111.2 50.4 -60.1 -45.6 18.6 16.4 58.1 60 65 A A H X S+ 0 0 22 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.884 108.3 53.5 -62.2 -34.6 15.1 17.8 57.3 61 66 A A H X S+ 0 0 62 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.859 105.3 53.9 -67.8 -36.9 16.6 21.4 57.0 62 67 A L H X S+ 0 0 71 -4,-1.9 4,-2.5 -3,-0.2 -1,-0.2 0.925 110.5 47.4 -59.8 -44.6 19.2 20.1 54.5 63 68 A L H X S+ 0 0 5 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.919 109.9 51.7 -64.9 -44.7 16.3 18.7 52.4 64 69 A E H X S+ 0 0 104 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.946 112.6 45.8 -57.2 -47.4 14.3 21.9 52.7 65 70 A A H X S+ 0 0 70 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.910 117.8 44.2 -61.3 -43.4 17.3 23.9 51.5 66 71 A G H >X S+ 0 0 18 -4,-2.5 3,-1.2 -5,-0.2 4,-1.0 0.865 102.5 61.3 -73.1 -38.6 18.0 21.5 48.7 67 72 A F H >< S+ 0 0 19 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.919 98.9 61.7 -58.0 -38.1 14.4 20.8 47.3 68 73 A A H 3< S+ 0 0 81 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.779 115.9 28.4 -54.9 -34.2 14.3 24.5 46.5 69 74 A R H << S+ 0 0 219 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 0.326 83.3 122.7-114.9 2.9 17.3 24.3 44.0 70 75 A A << - 0 0 21 -4,-1.0 3,-0.0 -3,-0.8 6,-0.0 -0.571 45.2-159.9 -69.5 130.3 17.2 20.7 42.7 71 76 A R + 0 0 211 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.401 63.9 12.0 -94.5 1.8 16.9 20.9 38.9 72 77 A S S > S- 0 0 39 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.982 78.9 -97.0-169.1 163.9 15.5 17.4 38.2 73 78 A A H > S+ 0 0 6 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.907 123.1 56.8 -60.1 -42.0 14.0 14.2 39.7 74 79 A E H > S+ 0 0 72 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.952 108.2 44.4 -56.9 -52.0 17.6 12.8 39.6 75 80 A E H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 111.0 55.4 -59.1 -36.8 18.9 15.7 41.7 76 81 A T H X S+ 0 0 4 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.938 111.5 43.0 -62.8 -43.7 15.9 15.4 44.1 77 82 A V H >X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.8 0.955 112.8 52.2 -66.1 -47.1 16.6 11.7 44.7 78 83 A R H 3X S+ 0 0 47 -4,-2.9 4,-3.1 1,-0.2 3,-0.5 0.868 102.8 61.2 -57.0 -40.3 20.4 12.3 45.0 79 84 A L H 3X S+ 0 0 29 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.842 97.2 56.9 -55.9 -41.8 19.8 15.0 47.6 80 85 A L H S+ 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.889 78.1 47.4 -63.8 -39.4 29.5 11.0 63.5 93 98 A D H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.926 113.7 48.6 -65.0 -42.5 28.9 11.1 67.2 94 99 A W H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 111.2 50.7 -61.4 -42.0 25.5 12.8 66.6 95 100 A A H X S+ 0 0 2 -4,-2.9 4,-2.5 -7,-0.2 -2,-0.2 0.943 110.5 48.9 -60.1 -47.4 24.7 10.1 64.0 96 101 A R H X S+ 0 0 83 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.930 111.3 50.8 -55.9 -45.0 25.6 7.3 66.4 97 102 A F H >X S+ 0 0 16 -4,-2.5 4,-0.9 1,-0.2 3,-0.9 0.939 110.9 47.3 -61.0 -48.3 23.5 8.9 69.1 98 103 A I H >X S+ 0 0 25 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.897 108.6 55.1 -60.2 -42.4 20.4 9.2 66.8 99 104 A L H 3< S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.694 117.2 36.0 -66.9 -19.5 20.8 5.6 65.6 100 105 A H H << S+ 0 0 137 -4,-1.0 -1,-0.2 -3,-0.9 4,-0.2 0.473 112.9 56.0-111.4 -0.6 20.7 4.3 69.2 101 106 A S H S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 110.3 49.7 -52.1 -48.7 13.1 4.1 71.3 104 109 A R H > S+ 0 0 81 1,-0.2 4,-1.0 -4,-0.2 -1,-0.2 0.907 113.8 44.6 -58.8 -45.4 14.0 6.0 74.4 105 110 A V H < S+ 0 0 5 -4,-2.0 5,-0.5 1,-0.2 3,-0.2 0.883 112.9 49.5 -69.4 -40.5 12.8 9.3 73.0 106 111 A E H < S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.878 108.7 55.3 -68.5 -32.1 9.5 7.9 71.6 107 112 A A H < S+ 0 0 88 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.795 107.8 57.1 -68.1 -30.3 8.8 6.2 75.0 108 113 A G S >< S- 0 0 39 -4,-1.0 3,-1.0 -3,-0.2 4,-0.2 0.221 108.0 -66.5 -91.4-152.4 9.1 9.5 77.0 109 114 A E T 3 S+ 0 0 186 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.541 123.0 59.0 -83.0 -12.9 7.6 13.0 77.1 110 115 A L T 3> S+ 0 0 19 -5,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.254 74.8 104.6 -98.1 13.3 8.8 14.2 73.8 111 116 A G H <> S+ 0 0 8 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.855 77.7 50.4 -61.1 -40.2 7.0 11.3 72.0 112 117 A E H > S+ 0 0 142 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.898 111.8 47.5 -65.2 -43.1 4.2 13.6 70.7 113 118 A R H > S+ 0 0 96 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.865 109.4 53.8 -67.5 -38.7 6.7 16.1 69.3 114 119 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.932 110.1 47.7 -59.6 -46.0 8.7 13.3 67.7 115 120 A R H X S+ 0 0 189 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.915 114.0 46.2 -60.5 -47.1 5.5 12.1 65.9 116 121 A A H X S+ 0 0 51 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.897 114.3 48.0 -62.7 -43.2 4.6 15.6 64.7 117 122 A D H X S+ 0 0 48 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.945 112.5 48.8 -61.4 -51.2 8.2 16.3 63.5 118 123 A N H X S+ 0 0 54 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.907 111.4 50.6 -54.3 -45.8 8.3 12.9 61.7 119 124 A Q H X S+ 0 0 139 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.915 110.9 47.6 -59.7 -45.1 4.9 13.7 60.1 120 125 A A H X S+ 0 0 59 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 112.4 50.3 -63.1 -41.2 6.1 17.1 58.9 121 126 A H H X S+ 0 0 49 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.949 111.8 46.4 -64.9 -47.0 9.3 15.6 57.5 122 127 A F H X S+ 0 0 115 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.876 110.4 54.9 -61.0 -41.5 7.5 12.9 55.6 123 128 A A H X S+ 0 0 49 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.900 107.1 48.6 -64.3 -37.3 5.0 15.3 54.2 124 129 A R H X S+ 0 0 88 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.899 113.5 47.0 -68.6 -43.2 7.7 17.6 52.8 125 130 A I H X S+ 0 0 44 -4,-2.0 4,-1.6 2,-0.2 5,-0.2 0.952 111.4 51.3 -63.9 -45.0 9.4 14.7 51.1 126 131 A H H X S+ 0 0 64 -4,-3.0 4,-1.5 1,-0.2 3,-0.5 0.936 111.1 48.6 -58.2 -43.0 6.1 13.3 49.7 127 132 A A H X S+ 0 0 63 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.897 109.6 52.8 -64.2 -36.8 5.3 16.8 48.3 128 133 A A H < S+ 0 0 18 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.754 116.4 37.9 -67.7 -29.1 8.8 17.1 46.7 129 134 A L H X S+ 0 0 5 -4,-1.6 4,-2.1 -3,-0.5 -1,-0.2 0.664 94.5 84.6 -93.3 -20.0 8.5 13.7 44.9 130 135 A A H X S+ 0 0 38 -4,-1.5 4,-2.7 1,-0.2 5,-0.1 0.838 87.9 48.4 -64.5 -39.6 4.8 13.8 43.9 131 136 A G H X S+ 0 0 39 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.938 114.0 48.2 -66.7 -42.9 5.1 15.8 40.6 132 137 A Y H 4>S+ 0 0 55 -4,-0.3 5,-1.9 1,-0.2 6,-0.3 0.899 110.5 51.4 -61.8 -38.7 7.9 13.6 39.4 133 138 A R H ><5S+ 0 0 55 -4,-2.1 3,-1.9 1,-0.2 5,-0.2 0.935 108.4 52.2 -64.6 -43.4 6.0 10.4 40.4 134 139 A A H 3<5S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 103.9 58.4 -61.1 -28.2 3.0 11.8 38.4 135 140 A E T 3<5S- 0 0 130 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.402 114.7-116.3 -83.8 -1.6 5.3 12.3 35.4 136 141 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.742 72.4 136.4 76.8 25.9 6.2 8.6 35.3 137 142 A L < + 0 0 65 -5,-1.9 50,-2.5 49,-0.1 2,-0.3 0.627 57.6 60.7 -80.7 -11.7 9.8 9.3 36.1 138 143 A F B S-A 186 0A 18 48,-0.3 48,-0.3 -6,-0.3 49,-0.1 -0.864 90.2-103.9-117.4 150.9 10.1 6.5 38.7 139 144 A R - 0 0 161 46,-2.9 2,-0.3 -2,-0.3 48,-0.1 -0.386 56.0 -92.2 -63.1 144.3 9.7 2.7 38.6 140 145 A E + 0 0 197 -2,-0.1 -1,-0.1 -4,-0.1 -7,-0.0 -0.457 69.2 129.9 -69.7 124.0 6.3 1.8 40.2 141 146 A X - 0 0 48 -2,-0.3 -3,-0.0 -3,-0.1 44,-0.0 -0.953 60.5 -82.3-163.1 156.9 6.5 1.0 43.9 142 147 A P >> - 0 0 85 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.299 44.0-114.7 -58.5 146.6 4.7 1.9 47.2 143 148 A D H 3> S+ 0 0 65 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.872 117.6 52.5 -53.5 -40.8 5.9 5.2 48.8 144 149 A D H 3> S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.851 109.5 49.0 -65.4 -36.3 7.3 3.2 51.8 145 150 A C H <> S+ 0 0 59 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.945 109.9 50.9 -64.9 -52.5 9.3 1.0 49.4 146 151 A F H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.918 109.1 52.5 -47.0 -50.1 10.7 4.0 47.5 147 152 A A H X S+ 0 0 53 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.933 113.2 42.9 -55.5 -49.7 11.8 5.6 50.8 148 153 A S H X S+ 0 0 83 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.809 113.3 51.3 -70.3 -34.9 13.7 2.4 51.9 149 154 A V H < S+ 0 0 56 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.951 113.7 45.0 -65.6 -42.5 15.3 1.8 48.5 150 155 A V H < S+ 0 0 4 -4,-2.9 4,-0.3 -5,-0.2 -2,-0.2 0.930 131.5 18.4 -66.4 -46.4 16.5 5.4 48.3 151 156 A I H X S+ 0 0 23 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.567 101.5 86.8-101.5 -15.6 17.9 5.7 51.9 152 157 A G H X S+ 0 0 25 -4,-1.9 4,-2.9 -5,-0.3 5,-0.2 0.922 90.5 48.1 -58.3 -50.1 18.3 2.0 53.0 153 158 A P H > S+ 0 0 59 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.944 115.0 45.6 -56.3 -47.8 21.8 1.5 51.6 154 159 A A H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.925 114.6 47.9 -59.4 -47.3 23.1 4.8 53.1 155 160 A H H X S+ 0 0 78 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.921 115.3 46.4 -55.9 -45.8 21.5 4.0 56.5 156 161 A D H X S+ 0 0 101 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.945 114.5 44.5 -67.0 -49.4 22.9 0.5 56.4 157 162 A L H X S+ 0 0 37 -4,-3.4 4,-3.1 -5,-0.2 5,-0.2 0.918 113.1 52.6 -61.0 -42.9 26.5 1.5 55.4 158 163 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.934 108.2 50.7 -58.5 -47.2 26.5 4.4 57.9 159 164 A R H X S+ 0 0 105 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.947 115.1 42.7 -53.4 -50.1 25.4 2.0 60.7 160 165 A Q H <>S+ 0 0 56 -4,-2.2 5,-3.1 1,-0.2 6,-0.3 0.899 115.1 50.0 -65.6 -43.2 28.3 -0.4 59.8 161 166 A W H ><5S+ 0 0 70 -4,-3.1 3,-1.5 1,-0.2 5,-0.2 0.921 110.0 48.7 -62.1 -47.8 30.8 2.4 59.3 162 167 A L H 3<5S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.5 53.3 -62.4 -33.4 30.1 4.1 62.6 163 168 A A T 3<5S- 0 0 53 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.386 118.1-113.7 -82.7 3.2 30.3 0.7 64.4 164 169 A G T < 5S+ 0 0 68 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.850 81.6 123.2 67.4 37.6 33.8 0.2 62.9 165 170 A R < + 0 0 151 -5,-3.1 2,-0.3 -6,-0.1 -4,-0.2 0.241 48.2 83.5-115.0 13.9 32.7 -2.7 60.8 166 171 A T - 0 0 40 -6,-0.3 4,-0.1 -5,-0.2 -9,-0.0 -0.820 61.9-147.0-114.9 155.4 33.5 -1.6 57.2 167 172 A R S S+ 0 0 258 -2,-0.3 2,-0.3 2,-0.1 -6,-0.0 -0.078 80.8 75.1-103.4 29.9 36.7 -1.6 55.0 168 173 A V S S- 0 0 73 5,-0.0 2,-0.5 -7,-0.0 -2,-0.1 -0.972 82.7-115.1-136.3 154.0 35.6 1.7 53.3 169 174 A A > - 0 0 44 -2,-0.3 3,-0.8 1,-0.1 4,-0.4 -0.783 27.0-136.4 -81.3 125.9 35.5 5.4 54.2 170 175 A L G > S+ 0 0 2 -2,-0.5 3,-1.8 1,-0.2 4,-0.2 0.899 105.1 54.5 -48.6 -45.9 31.8 6.5 54.2 171 176 A A G > S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.814 100.3 61.8 -58.6 -31.2 32.7 9.7 52.3 172 177 A D G < S+ 0 0 136 -3,-0.8 -1,-0.3 1,-0.2 4,-0.2 0.561 104.1 48.7 -74.2 -7.9 34.3 7.5 49.6 173 178 A C G <> S+ 0 0 14 -3,-1.8 4,-2.6 -4,-0.4 5,-0.3 0.354 81.8 100.2-108.9 6.4 30.9 5.8 48.9 174 179 A R H <> S+ 0 0 83 -3,-1.2 4,-2.3 -4,-0.2 5,-0.2 0.935 85.4 41.0 -57.6 -53.3 28.9 9.1 48.6 175 180 A E H > S+ 0 0 94 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.934 115.3 51.8 -64.3 -44.8 28.8 9.2 44.8 176 181 A L H > S+ 0 0 109 -4,-0.2 4,-3.0 1,-0.2 5,-0.2 0.937 111.6 45.4 -56.0 -49.2 28.2 5.5 44.4 177 182 A L H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.891 114.5 48.9 -67.6 -37.6 25.2 5.5 46.9 178 183 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.934 114.2 46.2 -62.9 -47.0 23.7 8.6 45.3 179 184 A Q H X S+ 0 0 61 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.919 113.1 48.6 -63.0 -45.2 24.1 7.1 41.8 180 185 A V H X S+ 0 0 57 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.896 107.7 55.1 -63.9 -39.1 22.7 3.7 42.8 181 186 A A H X S+ 0 0 4 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.946 112.5 43.0 -58.9 -50.8 19.6 5.4 44.6 182 187 A W H X S+ 0 0 35 -4,-2.0 4,-2.4 1,-0.2 3,-0.5 0.965 116.0 47.9 -60.6 -50.5 18.7 7.2 41.3 183 188 A D H < S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 110.2 53.8 -61.0 -28.3 19.4 4.1 39.2 184 189 A S H < S+ 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.814 119.6 29.8 -75.3 -33.3 17.3 2.0 41.5 185 190 A V H < S+ 0 0 0 -4,-1.7 -46,-2.9 -3,-0.5 -2,-0.2 0.625 92.8 105.6-107.2 -13.2 14.2 4.1 41.4 186 191 A R B < S-A 138 0A 113 -4,-2.4 -48,-0.3 -48,-0.3 -49,-0.1 -0.285 80.0 -93.4 -69.3 150.3 14.2 5.7 38.0 187 192 A A 0 0 35 -50,-2.5 -1,-0.1 1,-0.1 -48,-0.1 -0.311 360.0 360.0 -57.0 146.3 11.8 4.5 35.3 188 193 A A 0 0 150 -3,-0.1 -1,-0.1 -50,-0.1 -3,-0.0 -0.172 360.0 360.0 -63.8 360.0 13.1 1.8 32.9