==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUL-09 3I9W . COMPND 2 MOLECULE: SENSOR PROTEIN TORS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR J.O.MOORE,W.A.HENDRICKSON . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 95.9 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 . 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 . 6 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 81.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 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 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 37 A P 0 0 123 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 173.5 55.2 85.4 0.7 2 38 A T >> + 0 0 37 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.595 360.0 74.3 -77.5 -13.2 51.5 85.8 1.4 3 39 A M H 3> S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.910 84.6 61.9 -67.0 -42.7 50.8 83.6 -1.6 4 40 A N H 3> S+ 0 0 80 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.728 100.9 58.7 -55.8 -19.8 51.9 80.5 0.2 5 41 A M H <> S+ 0 0 38 -3,-0.6 4,-3.3 -4,-0.2 3,-0.3 0.943 98.0 54.0 -76.0 -49.3 49.0 81.3 2.5 6 42 A A H X S+ 0 0 4 -4,-1.1 4,-2.5 -3,-0.3 5,-0.2 0.866 107.8 53.3 -52.6 -37.7 46.3 81.2 -0.1 7 43 A R H X S+ 0 0 126 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.918 112.8 42.5 -64.5 -43.0 47.5 77.7 -1.1 8 44 A Q H X S+ 0 0 74 -4,-1.2 4,-3.4 -3,-0.3 5,-0.2 0.846 111.7 55.0 -70.8 -36.0 47.2 76.6 2.5 9 45 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.927 111.9 43.5 -62.5 -44.3 43.9 78.4 2.9 10 46 A S H X S+ 0 0 55 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.931 116.4 48.8 -64.8 -44.4 42.6 76.5 -0.1 11 47 A E H X S+ 0 0 95 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.883 109.6 49.9 -62.3 -42.9 44.1 73.3 1.2 12 48 A A H X S+ 0 0 6 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.916 112.7 48.8 -63.6 -41.7 42.8 73.7 4.8 13 49 A S H X S+ 0 0 9 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.832 109.0 52.7 -66.2 -34.8 39.3 74.3 3.3 14 50 A A H X S+ 0 0 58 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.892 115.8 40.0 -69.1 -39.2 39.7 71.2 1.0 15 51 A W H X S+ 0 0 124 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.842 115.4 52.0 -78.6 -31.9 40.5 69.1 4.0 16 52 A E H X S+ 0 0 2 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.990 113.3 42.3 -64.9 -58.1 38.0 70.8 6.2 17 53 A L H X S+ 0 0 51 -4,-2.7 4,-1.4 1,-0.3 -1,-0.2 0.802 116.4 52.8 -57.9 -27.9 35.1 70.3 3.8 18 54 A F H X S+ 0 0 99 -4,-1.0 4,-2.5 -5,-0.3 -1,-0.3 0.875 111.3 43.4 -75.3 -39.1 36.6 66.8 3.3 19 55 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 -3,-0.3 -2,-0.2 0.921 115.0 49.2 -71.0 -43.7 36.6 66.0 7.1 20 56 A A H X S+ 0 0 2 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.876 111.7 52.1 -61.2 -35.7 33.1 67.5 7.5 21 57 A Q H X S+ 0 0 108 -4,-1.4 4,-0.6 -5,-0.3 -2,-0.2 0.951 114.2 39.4 -65.6 -51.8 32.2 65.4 4.5 22 58 A N H >X S+ 0 0 30 -4,-2.5 4,-1.4 1,-0.2 3,-0.5 0.855 112.4 58.0 -66.9 -37.2 33.5 62.1 5.9 23 59 A L H 3< S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.954 100.9 53.6 -58.2 -54.1 32.3 62.9 9.4 24 60 A T H 3< S+ 0 0 41 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.705 116.5 42.5 -57.2 -20.2 28.6 63.3 8.4 25 61 A S H << S+ 0 0 52 -4,-0.6 -2,-0.2 -3,-0.5 -3,-0.1 0.848 76.9 149.6 -84.6 -87.2 28.9 59.8 6.9 26 62 A A < - 0 0 9 -4,-1.4 -3,-0.1 5,-0.1 3,-0.1 0.902 22.1-176.5 51.3 107.3 30.8 57.8 9.4 27 63 A D S S+ 0 0 133 1,-0.0 2,-0.2 58,-0.0 -1,-0.0 0.820 70.1 33.8 -94.2 -45.3 29.9 54.1 9.5 28 64 A N S > S- 0 0 74 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.592 84.2-112.9-108.5 170.9 32.2 53.1 12.4 29 65 A E H > S+ 0 0 73 -2,-0.2 4,-3.4 2,-0.2 5,-0.3 0.897 114.5 59.9 -67.8 -43.7 33.3 54.8 15.6 30 66 A K H > S+ 0 0 164 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.908 107.9 43.5 -51.7 -50.0 36.9 54.9 14.3 31 67 A M H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.913 114.2 50.5 -65.2 -43.5 35.9 57.0 11.3 32 68 A W H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.957 115.4 42.5 -57.3 -53.7 33.6 59.3 13.3 33 69 A Q H X S+ 0 0 87 -4,-3.4 4,-2.4 2,-0.2 5,-0.2 0.953 115.8 47.9 -59.0 -54.5 36.3 59.9 15.9 34 70 A A H X S+ 0 0 41 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.913 115.9 44.5 -54.8 -46.4 39.1 60.3 13.3 35 71 A Q H X S+ 0 0 24 -4,-2.9 4,-3.0 -5,-0.2 -1,-0.2 0.861 110.0 53.6 -69.4 -36.7 37.1 62.7 11.2 36 72 A G H X S+ 0 0 20 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.915 111.2 47.5 -64.0 -40.7 35.8 64.8 14.1 37 73 A R H X S+ 0 0 163 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.966 112.8 48.0 -63.1 -50.1 39.4 65.3 15.2 38 74 A M H X S+ 0 0 68 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.926 110.6 51.6 -56.4 -49.4 40.5 66.2 11.7 39 75 A L H X S+ 0 0 9 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.950 111.6 47.6 -53.8 -50.1 37.6 68.6 11.3 40 76 A T H X S+ 0 0 86 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.929 113.6 47.5 -56.7 -49.3 38.5 70.3 14.6 41 77 A A H X S+ 0 0 38 -4,-2.9 4,-2.1 1,-0.2 3,-0.4 0.924 111.8 49.3 -58.9 -48.9 42.2 70.6 13.7 42 78 A Q H X S+ 0 0 21 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.903 107.2 55.0 -59.3 -41.7 41.5 72.0 10.3 43 79 A S H X S+ 0 0 14 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.849 108.9 49.8 -59.7 -31.3 39.1 74.6 11.7 44 80 A L H X S+ 0 0 115 -4,-1.4 4,-1.9 -3,-0.4 -1,-0.2 0.865 109.8 49.7 -73.9 -39.2 42.0 75.6 14.0 45 81 A K H X S+ 0 0 110 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.923 110.8 50.0 -66.4 -43.5 44.4 75.8 11.0 46 82 A I H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.886 109.8 51.1 -61.9 -37.5 41.9 77.9 9.1 47 83 A N H X S+ 0 0 81 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.884 112.1 46.5 -66.9 -38.8 41.5 80.2 12.1 48 84 A A H X S+ 0 0 55 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.902 114.1 47.9 -70.0 -41.8 45.3 80.6 12.4 49 85 A L H >X S+ 0 0 22 -4,-2.9 4,-2.8 2,-0.2 3,-0.8 0.966 110.3 51.2 -62.6 -53.3 45.7 81.3 8.6 50 86 A L H 3X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.3 -1,-0.2 0.866 109.9 50.6 -52.5 -38.4 42.8 83.8 8.6 51 87 A Q H 3X S+ 0 0 91 -4,-1.6 4,-1.1 2,-0.2 -1,-0.3 0.807 110.1 50.0 -71.8 -27.2 44.5 85.6 11.5 52 88 A A H << S+ 0 0 27 -4,-1.3 -2,-0.2 -3,-0.8 3,-0.2 0.931 114.9 42.9 -74.4 -45.6 47.8 85.6 9.6 53 89 A L H ><>S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 5,-1.3 0.932 106.6 61.7 -64.1 -47.0 46.2 87.0 6.5 54 90 A R H ><5S+ 0 0 85 -4,-2.9 3,-1.1 1,-0.3 2,-0.3 0.852 99.0 56.4 -49.9 -38.5 44.1 89.5 8.4 55 91 A E T 3<5S+ 0 0 138 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 -0.096 96.0 68.4 -88.5 39.8 47.3 91.2 9.7 56 92 A Q T < 5S- 0 0 96 -3,-1.4 -1,-0.3 -2,-0.3 -2,-0.2 -0.046 125.6 -95.4-138.1 20.4 48.3 91.7 6.0 57 93 A G T < 5S+ 0 0 80 -3,-1.1 2,-0.2 1,-0.3 -3,-0.2 0.452 88.2 132.6 75.3 -2.0 45.6 94.2 5.4 58 94 A F < - 0 0 15 -5,-1.3 2,-0.7 -8,-0.1 -1,-0.3 -0.562 58.7-124.0 -81.2 146.4 43.4 91.4 4.0 59 95 A D + 0 0 102 -2,-0.2 3,-0.1 1,-0.1 4,-0.1 -0.828 39.4 158.9 -98.2 116.7 39.8 91.2 5.2 60 96 A T > + 0 0 0 -2,-0.7 4,-3.2 1,-0.1 3,-0.4 0.411 43.5 103.2-112.9 -0.3 38.8 87.8 6.8 61 97 A T H > S+ 0 0 81 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.708 81.6 51.2 -58.5 -25.0 35.8 88.8 8.9 62 98 A A H > S+ 0 0 37 2,-0.2 4,-1.8 -3,-0.1 -1,-0.2 0.867 116.3 40.6 -79.5 -36.9 33.3 87.3 6.4 63 99 A I H > S+ 0 0 9 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.849 109.6 59.4 -76.9 -38.4 35.1 84.0 6.3 64 100 A E H X S+ 0 0 53 -4,-3.2 4,-1.1 2,-0.2 -2,-0.2 0.922 111.3 42.1 -56.9 -44.8 35.8 84.0 10.1 65 101 A Q H >X S+ 0 0 129 -4,-1.1 4,-2.4 -5,-0.2 3,-1.0 0.985 114.1 47.8 -64.5 -62.8 32.0 84.1 10.7 66 102 A Q H 3X S+ 0 0 16 -4,-1.8 4,-2.5 1,-0.3 -2,-0.2 0.886 112.9 50.7 -45.5 -48.4 30.9 81.6 8.1 67 103 A E H 3X S+ 0 0 14 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.812 109.2 51.5 -63.8 -31.3 33.6 79.2 9.3 68 104 A Q H X S+ 0 0 102 -4,-2.5 4,-2.1 -3,-0.2 3,-1.0 0.973 110.4 52.3 -63.1 -54.0 27.2 64.6 17.9 80 116 A L H 3X S+ 0 0 20 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.864 110.0 45.8 -52.5 -42.4 24.1 63.4 16.3 81 117 A V H 3X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.709 110.0 59.5 -76.9 -13.3 25.8 60.7 14.2 82 118 A G H X S+ 0 0 90 -4,-1.5 4,-2.2 2,-0.2 3,-1.1 0.958 110.4 49.0 -58.5 -53.9 25.6 54.1 19.4 87 123 A L H 3X S+ 0 0 13 -4,-2.6 4,-3.4 1,-0.3 3,-0.3 0.942 108.6 52.5 -49.7 -54.9 21.9 53.3 18.7 88 124 A R H 3X S+ 0 0 95 -4,-3.0 4,-1.0 1,-0.3 -1,-0.3 0.728 111.3 49.8 -57.0 -20.7 22.8 51.3 15.6 89 125 A Q H X S+ 0 0 98 -4,-3.2 4,-0.9 1,-0.3 3,-0.8 0.908 110.2 54.5 -59.5 -43.4 4.7 1.4 21.1 125 161 A A H 3< S+ 0 0 52 -4,-2.7 3,-0.5 -5,-0.3 4,-0.3 0.834 104.5 59.7 -57.9 -30.2 7.6 -0.9 20.4 126 162 A G H >X S+ 0 0 19 -4,-1.8 3,-1.4 -3,-0.5 4,-0.5 0.821 91.7 64.4 -67.2 -34.8 6.7 -2.4 23.7 127 163 A I H X< S+ 0 0 24 -4,-1.2 3,-0.6 -3,-0.8 4,-0.3 0.836 101.4 51.9 -58.1 -32.6 3.2 -3.3 22.6 128 164 A Y T 3< S+ 0 0 172 -4,-0.9 -1,-0.3 -3,-0.5 3,-0.2 0.580 101.4 59.7 -82.5 -8.2 4.8 -5.8 20.1 129 165 A D T <4 S+ 0 0 105 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.528 81.0 91.7 -92.5 -6.7 6.9 -7.4 22.8 130 166 A L > - 0 0 146 -2,-0.6 4,-1.2 1,-0.1 3,-0.6 -0.307 32.6-161.3 -54.7 97.5 -2.4 -10.7 28.8 136 172 A R H >> S+ 0 0 112 -2,-0.8 4,-2.8 1,-0.2 3,-0.8 0.932 75.7 61.5 -42.4 -76.3 -2.2 -8.1 26.1 137 173 A Q H 3> S+ 0 0 120 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.679 103.9 49.8 -27.7 -47.2 -5.4 -6.1 26.6 138 174 A A H <> S+ 0 0 63 -3,-0.6 4,-1.1 2,-0.2 -1,-0.3 0.980 124.8 29.0 -62.7 -55.0 -4.5 -5.0 30.1 139 175 A A H XX S+ 0 0 28 -4,-1.2 4,-3.1 -3,-0.8 3,-0.9 0.969 118.2 56.3 -67.5 -56.5 -1.0 -3.8 29.0 140 176 A E H 3X S+ 0 0 61 -4,-2.8 4,-2.3 1,-0.3 -3,-0.2 0.850 108.1 49.7 -43.7 -45.5 -2.0 -2.9 25.4 141 177 A S H 3X S+ 0 0 79 -4,-1.8 4,-1.5 -5,-0.4 -1,-0.3 0.840 114.3 43.6 -67.3 -34.4 -4.7 -0.6 26.7 142 178 A A H X S+ 0 0 26 -4,-2.8 4,-1.8 1,-0.2 3,-1.0 0.984 112.0 47.7 -51.1 -61.0 3.4 11.4 24.7 151 187 A L H 3X S+ 0 0 78 -4,-3.0 4,-1.8 1,-0.3 -1,-0.2 0.820 107.0 58.3 -49.7 -34.3 2.1 12.4 21.2 152 188 A E H 3X S+ 0 0 113 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.3 0.906 105.5 48.1 -65.3 -39.5 0.0 15.1 22.9 153 189 A Y H < S+ 0 0 20 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.934 111.8 45.3 -53.4 -46.6 9.8 38.9 12.9 171 207 A V H >< S+ 0 0 4 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.938 108.2 55.6 -62.7 -47.4 12.8 40.3 14.8 172 208 A M H 3< S+ 0 0 83 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.663 104.0 60.3 -59.8 -12.3 15.1 39.3 12.1 173 209 A N T << S+ 0 0 88 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.616 78.5 103.5 -92.1 -14.1 12.8 41.3 9.8 174 210 A L < + 0 0 16 -3,-1.8 3,-0.0 -4,-0.5 53,-0.0 -0.406 29.9 147.1 -69.9 144.9 13.2 44.8 11.5 175 211 A G - 0 0 33 -2,-0.1 2,-2.4 0, 0.0 -1,-0.1 0.319 60.1-110.1-165.9 20.8 15.4 47.3 9.8 176 212 A L S > S+ 0 0 24 1,-0.2 4,-1.9 7,-0.0 5,-0.2 -0.293 111.9 74.9 76.7 -56.4 14.3 50.9 10.2 177 213 A E H > S+ 0 0 102 -2,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.950 111.7 27.7 -49.4 -51.8 13.3 51.2 6.6 178 214 A Q H > S+ 0 0 53 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.693 113.7 64.3 -84.4 -21.9 10.2 49.1 7.5 179 215 A I H 4 S+ 0 0 11 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.721 108.7 45.4 -72.2 -18.7 10.1 50.3 11.2 180 216 A Q H >< S+ 0 0 105 -4,-1.9 3,-0.6 -3,-0.2 -2,-0.2 0.929 117.5 39.0 -85.4 -56.2 9.4 53.6 9.6 181 217 A K H 3< S+ 0 0 154 -4,-1.6 2,-0.9 1,-0.3 -3,-0.1 0.992 132.9 17.2 -57.5 -77.1 6.8 52.7 7.0 182 218 A N T 3X S+ 0 0 71 -4,-0.9 4,-1.1 1,-0.2 -1,-0.3 -0.669 79.5 142.3-102.6 77.7 4.7 50.1 8.9 183 219 A A H <> + 0 0 31 -2,-0.9 4,-1.9 -3,-0.6 -1,-0.2 0.956 69.0 45.3 -81.7 -57.0 5.7 50.6 12.5 184 220 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.824 113.9 53.4 -58.7 -30.5 2.4 50.1 14.5 185 221 A T H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.980 108.8 45.4 -67.6 -58.0 1.7 47.0 12.4 186 222 A L H X S+ 0 0 28 -4,-1.1 4,-1.4 -8,-0.2 -1,-0.2 0.814 115.4 52.5 -55.2 -31.8 5.0 45.3 13.1 187 223 A E H >X S+ 0 0 79 -4,-1.9 4,-2.1 2,-0.2 3,-1.1 0.997 110.9 39.4 -70.6 -67.2 4.6 46.2 16.7 188 224 A K H 3X S+ 0 0 156 -4,-2.2 4,-1.3 1,-0.3 -1,-0.2 0.745 112.6 64.2 -55.2 -19.0 1.1 44.9 17.6 189 225 A Q H 3X S+ 0 0 97 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.3 0.916 106.5 38.7 -69.8 -44.7 2.2 42.0 15.4 190 226 A L H < S+ 0 0 21 -4,-0.9 2,-2.4 -5,-0.3 3,-1.2 0.972 94.2 56.8 -61.7 -54.8 5.8 28.9 27.6 202 238 A I T 3< S+ 0 0 103 -4,-2.1 -1,-0.3 1,-0.3 -4,-0.0 -0.495 96.7 66.1 -78.3 73.1 3.8 28.3 30.8 203 239 A R T 3 + 0 0 93 -2,-2.4 -1,-0.3 -3,-0.2 2,-0.2 0.172 65.6 128.7-173.9 9.8 2.8 24.8 29.7 204 240 A I < - 0 0 9 -3,-1.2 6,-0.0 1,-0.1 -3,-0.0 -0.518 56.2-132.5 -77.0 149.0 6.0 23.0 29.6 205 241 A E S S+ 0 0 120 1,-0.2 -1,-0.1 -2,-0.2 5,-0.0 0.917 89.0 44.0 -63.3 -99.3 6.1 19.7 31.5 206 242 A D S >> S- 0 0 87 1,-0.2 3,-2.2 2,-0.1 4,-1.9 -0.315 75.4-148.4 -52.9 100.0 9.2 19.6 33.7 207 243 A P H 3> S+ 0 0 73 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.628 91.7 76.6 -48.8 -13.5 9.3 23.1 35.3 208 244 A G H 3> S+ 0 0 41 2,-0.2 4,-1.0 1,-0.2 3,-0.1 0.932 107.9 28.5 -64.0 -44.2 13.1 22.7 35.3 209 245 A V H <> S+ 0 0 20 -3,-2.2 4,-2.2 2,-0.2 5,-0.3 0.795 112.7 65.7 -83.5 -32.4 13.1 23.4 31.6 210 246 A R H < S+ 0 0 99 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.705 101.8 55.4 -60.9 -15.8 10.0 25.5 31.9 211 247 A A H X S+ 0 0 50 -4,-0.8 4,-2.0 -5,-0.3 3,-0.3 0.922 102.8 48.9 -81.9 -51.5 12.4 27.7 34.0 212 248 A Q H X S+ 0 0 92 -4,-1.0 4,-2.7 1,-0.3 5,-0.2 0.898 111.7 51.6 -56.1 -41.2 15.1 28.1 31.3 213 249 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.823 105.9 57.0 -65.6 -29.2 12.4 29.1 28.9 214 250 A A H > S+ 0 0 36 -4,-0.5 4,-1.4 -3,-0.3 -2,-0.2 0.907 109.0 43.1 -69.4 -41.0 11.2 31.6 31.4 215 251 A T H X S+ 0 0 88 -4,-2.0 4,-1.2 2,-0.2 3,-0.4 0.944 113.9 51.2 -69.9 -45.3 14.6 33.4 31.7 216 252 A T H X S+ 0 0 7 -4,-2.7 4,-2.0 1,-0.2 3,-0.5 0.884 104.2 59.6 -57.2 -39.2 15.0 33.3 27.9 217 253 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.903 98.2 56.9 -57.3 -42.9 11.5 34.8 27.6 218 254 A T H < S+ 0 0 89 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.869 107.1 50.5 -58.7 -34.1 12.5 37.9 29.6 219 255 A T H >< S+ 0 0 41 -4,-1.2 3,-1.3 -3,-0.5 -1,-0.2 0.922 111.1 46.3 -68.8 -45.1 15.3 38.5 27.0 220 256 A V H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.782 100.2 70.3 -69.0 -23.3 13.0 38.2 24.0 221 257 A S T >< S+ 0 0 37 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.503 80.5 76.2 -71.6 -2.4 10.5 40.5 25.8 222 258 A Q T X> + 0 0 75 -3,-1.3 3,-2.6 1,-0.2 4,-1.6 0.472 59.6 105.1 -85.9 -1.9 12.9 43.4 25.3 223 259 A Y H <> S+ 0 0 20 -3,-1.5 4,-0.8 1,-0.3 -1,-0.2 0.779 70.9 65.7 -47.3 -29.5 11.8 43.5 21.6 224 260 A S H <> S+ 0 0 57 -3,-0.7 4,-1.3 1,-0.2 -1,-0.3 0.838 102.8 45.5 -64.6 -32.2 9.8 46.6 22.7 225 261 A D H <> S+ 0 0 77 -3,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.902 104.9 58.9 -75.4 -44.8 13.2 48.4 23.4 226 262 A L H X S+ 0 0 1 -4,-1.6 4,-1.3 1,-0.3 -1,-0.2 0.747 107.5 51.4 -55.5 -20.5 14.7 47.2 20.1 227 263 A L H X S+ 0 0 9 -4,-0.8 4,-2.0 -5,-0.3 -1,-0.3 0.876 106.2 51.0 -82.0 -42.1 11.8 49.1 18.7 228 264 A A H X S+ 0 0 36 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.869 108.1 54.3 -62.1 -39.4 12.5 52.3 20.6 229 265 A L H X S+ 0 0 22 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.954 108.0 48.3 -60.3 -52.4 16.1 52.1 19.4 230 266 A Y H X S+ 0 0 30 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.2 0.868 110.9 52.4 -57.4 -37.4 15.0 52.0 15.8 231 267 A Q H >X S+ 0 0 88 -4,-2.0 4,-2.0 2,-0.2 3,-0.9 0.979 109.3 46.4 -62.4 -57.5 12.6 54.9 16.3 232 268 A Q H 3X S+ 0 0 83 -4,-2.4 4,-1.4 1,-0.3 5,-0.2 0.875 107.8 60.0 -50.5 -41.7 15.2 57.2 17.8 233 269 A D H 3X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.878 109.7 41.3 -56.4 -38.9 17.5 56.2 15.0 234 270 A S H S+ 0 0 76 -4,-0.5 4,-2.0 -5,-0.2 3,-0.3 0.965 108.9 47.4 -55.4 -59.1 17.2 65.4 11.6 240 276 A L H X S+ 0 0 13 -4,-3.6 4,-1.5 1,-0.2 -1,-0.2 0.785 109.7 56.4 -54.2 -31.0 20.7 64.8 10.2 241 277 A Q H X S+ 0 0 119 -4,-1.1 4,-0.9 -5,-0.3 -1,-0.2 0.916 103.8 51.9 -68.8 -45.0 19.2 64.9 6.7 242 278 A T H >X S+ 0 0 66 -4,-2.2 3,-1.4 -3,-0.3 4,-1.4 0.960 111.5 46.6 -54.7 -54.5 17.7 68.4 7.3 243 279 A L H 3X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.821 103.2 64.0 -58.9 -33.9 21.1 69.7 8.4 244 280 A A H 3X S+ 0 0 50 -4,-1.5 4,-0.6 1,-0.2 -1,-0.3 0.731 105.0 46.3 -63.4 -23.6 22.8 68.1 5.4 245 281 A Q H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 3,-0.7 0.969 114.1 40.5 -61.7 -60.7 32.1 79.5 2.5 255 291 A S H >X S+ 0 0 52 -4,-2.2 4,-2.7 1,-0.3 3,-0.8 0.923 113.5 56.5 -56.0 -46.0 34.1 78.1 -0.4 256 292 A S H 3X S+ 0 0 60 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.3 0.798 107.7 48.6 -56.5 -31.2 32.9 80.9 -2.6 257 293 A E H X S+ 0 0 14 -4,-3.8 4,-1.6 1,-0.2 3,-0.6 0.909 110.9 48.9 -53.3 -42.3 42.3 83.8 -2.6 263 299 A D H >X S+ 0 0 92 -4,-2.6 4,-1.9 -5,-0.3 3,-1.1 0.983 103.0 56.5 -60.2 -60.7 41.8 86.0 -5.6 264 300 A T H 3X S+ 0 0 48 -4,-2.1 4,-0.7 1,-0.3 -1,-0.3 0.689 112.6 48.2 -45.0 -17.6 42.3 89.3 -3.7 265 301 A I H << S+ 0 0 0 -4,-0.9 4,-0.4 -3,-0.6 -1,-0.3 0.777 111.3 44.5 -94.4 -35.0 45.6 87.6 -2.9 266 302 A E H << S+ 0 0 95 -4,-1.6 -2,-0.2 -3,-1.1 -3,-0.2 0.486 120.3 44.0 -87.5 -4.3 46.7 86.5 -6.4 267 303 A L H >< S+ 0 0 125 -4,-1.9 3,-0.9 -5,-0.2 -3,-0.2 0.723 113.5 46.2-106.3 -37.5 45.6 89.9 -7.7 268 304 A R T 3< S+ 0 0 149 -4,-0.7 -2,-0.2 -5,-0.5 -3,-0.1 0.624 99.0 76.1 -79.8 -13.0 47.1 92.1 -5.1 269 305 A N T 3 0 0 79 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.593 360.0 360.0 -73.7 -9.7 50.2 90.0 -5.4 270 306 A Q < 0 0 197 -3,-0.9 -1,-0.2 0, 0.0 -2,-0.2 0.203 360.0 360.0-118.9 360.0 51.1 91.7 -8.7