==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 18-JUN-10 3NKE . COMPND 2 MOLECULE: PROTEIN YGBT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.NOCEK,T.SKARINA,N.BELOGLAZOVA,A.SAVCHENKO,A.JOACHIMIAK,A.Y . 548 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 72.8 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 . 1 0.2 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 0.2 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 0 0 4 2 0 1 4 1 6 0 0 0 0 0 0 5 1 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 94 A A > 0 0 99 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -50.4 2.9 15.4 34.3 2 95 A R H > + 0 0 37 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.915 360.0 57.7 -59.6 -38.5 5.8 13.1 35.2 3 96 A S H > S+ 0 0 36 1,-0.2 4,-2.6 282,-0.2 -1,-0.2 0.878 102.0 54.2 -58.2 -36.2 3.2 10.5 36.3 4 97 A D H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 107.8 48.7 -67.2 -39.8 1.7 10.6 32.9 5 98 A K H X S+ 0 0 27 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.935 113.3 47.3 -62.4 -45.9 5.0 9.8 31.2 6 99 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.887 111.2 50.2 -65.5 -37.6 5.6 6.9 33.6 7 100 A L H X S+ 0 0 58 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.877 110.5 50.9 -70.5 -33.8 2.2 5.5 33.2 8 101 A Y H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 111.9 46.6 -65.4 -48.7 2.5 5.7 29.4 9 102 A Q H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.931 114.3 47.6 -61.0 -45.4 5.9 3.8 29.4 10 103 A A H X S+ 0 0 6 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.906 108.5 54.9 -64.3 -40.1 4.5 1.2 31.8 11 104 A K H X S+ 0 0 103 -4,-2.4 4,-0.6 1,-0.2 3,-0.3 0.934 111.7 44.4 -54.6 -47.6 1.4 0.7 29.7 12 105 A L H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.894 113.1 50.9 -64.0 -41.6 3.5 0.0 26.7 13 106 A A H 3< S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.707 111.5 47.7 -73.8 -19.9 5.9 -2.3 28.6 14 107 A L H 3< S+ 0 0 28 -4,-1.5 2,-0.5 -3,-0.3 330,-0.3 0.398 94.5 78.6-101.5 -5.3 3.0 -4.4 30.1 15 108 A D S+ 0 0 70 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.858 98.7 48.4 -63.0 -35.3 2.4 -7.8 24.7 17 110 A D H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.876 116.6 42.5 -66.9 -42.2 1.1 -6.1 21.4 18 111 A L H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.920 111.5 54.3 -73.5 -42.1 2.5 -2.8 22.4 19 112 A R H X S+ 0 0 21 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.914 109.6 48.4 -57.2 -46.0 5.8 -4.2 23.8 20 113 A L H X S+ 0 0 50 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.903 108.4 53.4 -65.1 -40.1 6.4 -6.0 20.4 21 114 A K H X S+ 0 0 65 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.923 111.9 46.2 -57.6 -43.4 5.7 -2.8 18.5 22 115 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.935 112.9 48.8 -65.5 -45.9 8.3 -0.9 20.6 23 116 A V H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.906 109.1 53.6 -62.4 -40.4 10.9 -3.7 20.2 24 117 A R H X S+ 0 0 73 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.900 109.4 48.2 -59.7 -41.5 10.3 -3.8 16.5 25 118 A K H X S+ 0 0 35 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.906 109.0 53.3 -67.2 -39.7 11.0 -0.0 16.3 26 119 A X H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.930 111.2 47.6 -57.2 -44.9 14.2 -0.5 18.5 27 120 A F H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 6,-0.3 0.933 110.3 51.5 -62.2 -46.0 15.3 -3.1 15.9 28 121 A E H X S+ 0 0 79 -4,-2.4 4,-2.2 1,-0.2 5,-0.5 0.898 111.4 46.3 -60.5 -40.9 14.5 -0.8 13.0 29 122 A L H < S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.0 50.8 -71.4 -35.1 16.5 2.1 14.4 30 123 A R H < S+ 0 0 36 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.877 126.4 22.1 -65.9 -40.4 19.4 -0.2 15.2 31 124 A F H < S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.3 -3,-0.2 0.515 95.1-122.1-112.3 -5.6 19.6 -1.8 11.8 32 125 A G S < S+ 0 0 68 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.740 79.9 102.4 68.9 24.1 18.0 0.6 9.3 33 126 A E S S- 0 0 86 -5,-0.5 -2,-0.3 -6,-0.3 -1,-0.2 -0.992 82.5 -97.9-140.0 143.0 15.5 -2.1 8.3 34 127 A P - 0 0 109 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.338 52.6-104.7 -55.6 139.9 12.0 -3.0 9.0 35 128 A A - 0 0 5 -11,-0.2 -11,-0.1 1,-0.1 4,-0.0 -0.435 45.7 -93.4 -68.0 141.8 11.9 -5.7 11.7 36 129 A P > - 0 0 40 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.328 45.1-112.3 -62.6 138.0 11.2 -9.1 10.3 37 130 A A T 3 S+ 0 0 41 1,-0.2 3,-0.1 -3,-0.1 0, 0.0 -0.196 91.0 21.6 -65.9 152.4 7.6 -10.1 10.4 38 131 A R T 3 S+ 0 0 211 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.867 89.4 128.0 60.0 40.2 6.1 -12.8 12.6 39 132 A R < - 0 0 102 -3,-0.5 -1,-0.2 -4,-0.0 2,-0.0 -0.997 50.7-135.8-127.3 134.3 9.0 -12.7 15.1 40 133 A S > - 0 0 34 -2,-0.4 4,-2.7 -3,-0.1 5,-0.2 -0.247 33.5 -97.8 -76.4 173.1 8.5 -12.3 18.9 41 134 A V H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 126.8 50.8 -57.7 -44.3 10.5 -10.1 21.2 42 135 A E H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 110.3 48.8 -63.8 -38.8 12.7 -13.1 22.1 43 136 A Q H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.908 111.2 49.6 -66.5 -40.7 13.3 -14.0 18.4 44 137 A L H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.890 108.0 54.2 -65.1 -37.7 14.2 -10.4 17.6 45 138 A R H X S+ 0 0 90 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.911 109.4 49.1 -60.0 -40.1 16.7 -10.3 20.6 46 139 A G H X S+ 0 0 41 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.895 111.3 47.7 -67.6 -43.1 18.3 -13.5 19.1 47 140 A I H X S+ 0 0 42 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.941 112.8 48.9 -64.3 -44.7 18.6 -11.9 15.7 48 141 A E H X S+ 0 0 32 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.923 110.0 53.3 -59.2 -43.2 20.1 -8.7 17.1 49 142 A G H X S+ 0 0 22 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.907 108.6 47.0 -61.7 -43.1 22.5 -10.8 19.2 50 143 A S H X S+ 0 0 61 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.883 113.5 49.5 -68.1 -33.0 23.9 -12.8 16.2 51 144 A R H X S+ 0 0 86 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.917 111.0 49.4 -70.0 -40.3 24.3 -9.5 14.2 52 145 A V H X S+ 0 0 23 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.910 107.7 54.3 -64.5 -39.8 26.1 -7.9 17.1 53 146 A R H X S+ 0 0 163 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.942 110.8 46.9 -58.1 -44.7 28.4 -10.9 17.5 54 147 A A H X S+ 0 0 62 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.887 109.2 53.8 -65.6 -38.0 29.3 -10.4 13.8 55 148 A T H X S+ 0 0 43 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.933 108.8 48.6 -63.5 -45.0 29.8 -6.7 14.2 56 149 A Y H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.916 110.4 51.7 -60.7 -41.5 32.3 -7.1 17.0 57 150 A A H X S+ 0 0 43 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.898 111.0 47.3 -63.8 -38.3 34.2 -9.7 15.0 58 151 A L H X S+ 0 0 93 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.935 110.6 51.8 -68.9 -43.9 34.5 -7.4 12.0 59 152 A L H X S+ 0 0 15 -4,-2.6 4,-1.2 1,-0.2 6,-0.2 0.908 105.8 56.1 -57.4 -41.2 35.6 -4.5 14.2 60 153 A A H >X>S+ 0 0 4 -4,-2.4 5,-2.4 1,-0.2 4,-0.6 0.928 110.2 44.4 -60.1 -40.3 38.3 -6.7 15.7 61 154 A K H ><5S+ 0 0 173 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.941 111.3 54.0 -66.5 -44.7 39.6 -7.4 12.2 62 155 A Q H 3<5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.638 117.3 36.4 -65.9 -18.2 39.4 -3.7 11.2 63 156 A Y H <<5S- 0 0 54 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.339 110.4-115.9-115.5 3.5 41.4 -2.6 14.2 64 157 A G T <<5 + 0 0 59 -3,-1.0 2,-0.4 -4,-0.6 -3,-0.2 0.760 62.5 150.5 69.6 30.2 43.9 -5.6 14.3 65 158 A V < - 0 0 26 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.773 51.2-118.7-102.5 130.4 42.6 -6.8 17.7 66 159 A T + 0 0 134 -2,-0.4 2,-0.3 2,-0.0 14,-0.1 -0.520 46.5 173.8 -67.9 133.4 42.7 -10.4 18.8 67 160 A W + 0 0 45 -2,-0.2 3,-0.1 1,-0.1 -6,-0.0 -0.971 38.2 161.8-157.8 132.3 39.1 -11.5 19.4 68 161 A N S S- 0 0 147 1,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.195 76.9 -57.2-123.8 -0.4 37.0 -14.6 20.3 69 162 A G S S- 0 0 20 -13,-0.1 -1,-0.5 2,-0.1 2,-0.3 -0.599 70.7 -54.0 129.4 161.5 33.9 -12.7 21.5 70 163 A R + 0 0 67 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.547 65.4 157.9 -74.1 128.2 32.7 -10.1 24.0 71 164 A R + 0 0 121 -2,-0.3 7,-0.3 7,-0.1 2,-0.3 -0.957 10.4 147.8-161.3 143.4 33.7 -11.1 27.5 72 165 A Y 0 0 138 -2,-0.3 5,-0.2 5,-0.1 -2,-0.0 -0.971 360.0 360.0-165.0 154.4 34.3 -9.6 30.9 73 166 A D 0 0 176 3,-1.5 3,-0.3 -2,-0.3 -2,-0.0 -0.462 360.0 360.0 -60.4 360.0 34.0 -10.6 34.6 74 ! 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 75 171 A E 0 0 96 0, 0.0 2,-0.3 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 -31.8 35.0 -3.4 34.0 76 172 A K + 0 0 55 -3,-0.3 -3,-1.5 9,-0.1 2,-0.3 -0.763 360.0 88.5-106.9 152.1 37.9 -6.0 34.0 77 173 A G S S- 0 0 41 -2,-0.3 -5,-0.1 -5,-0.2 2,-0.0 -0.958 80.4 -26.0 159.8-162.4 39.2 -8.3 31.2 78 174 A D S > S- 0 0 75 -7,-0.3 4,-2.5 -2,-0.3 5,-0.2 -0.226 78.0 -91.1 -68.9 173.2 41.7 -8.1 28.3 79 175 A T H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 125.3 48.2 -59.5 -48.3 42.5 -4.6 27.0 80 176 A I H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 113.4 46.2 -61.8 -46.5 39.8 -4.6 24.3 81 177 A N H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 112.1 51.3 -66.4 -33.7 37.1 -5.8 26.6 82 178 A Q H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.908 110.7 49.9 -64.0 -41.0 38.1 -3.3 29.2 83 179 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.915 110.3 48.9 -63.2 -46.2 37.9 -0.6 26.6 84 180 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.922 112.1 49.4 -60.5 -43.7 34.5 -1.7 25.4 85 181 A S H X S+ 0 0 15 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.907 111.1 49.8 -61.6 -44.1 33.2 -1.8 29.0 86 182 A A H X S+ 0 0 16 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.923 114.1 45.4 -60.0 -43.5 34.6 1.7 29.7 87 183 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.939 114.8 45.0 -68.1 -46.8 33.0 3.1 26.5 88 184 A T H X S+ 0 0 9 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.903 110.3 54.4 -71.5 -34.7 29.6 1.5 27.0 89 185 A S H X S+ 0 0 33 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.871 108.0 51.2 -62.4 -36.2 29.4 2.5 30.7 90 186 A C H X S+ 0 0 19 -4,-1.6 4,-1.5 -5,-0.2 3,-0.3 0.935 111.1 47.9 -60.3 -46.2 30.1 6.1 29.6 91 187 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.887 105.3 58.9 -63.9 -39.4 27.3 5.8 27.1 92 188 A Y H X S+ 0 0 47 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.851 102.8 55.1 -57.9 -36.4 24.9 4.3 29.8 93 189 A G H X S+ 0 0 5 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.957 112.4 39.5 -61.8 -50.5 25.4 7.4 31.9 94 190 A V H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.928 114.0 55.2 -67.0 -38.5 24.3 9.8 29.2 95 191 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.930 107.2 50.9 -63.1 -42.4 21.5 7.4 28.0 96 192 A E H X S+ 0 0 13 -4,-2.6 4,-2.8 1,-0.2 -1,-0.3 0.924 108.4 51.9 -58.3 -46.1 20.2 7.4 31.6 97 193 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.903 109.8 49.7 -58.5 -38.5 20.2 11.2 31.6 98 194 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.913 110.4 49.3 -68.4 -40.5 18.2 11.2 28.3 99 195 A I H <>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 4,-0.4 0.932 114.0 45.6 -61.2 -48.9 15.7 8.8 29.7 100 196 A L H ><5S+ 0 0 16 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.904 108.8 57.0 -61.9 -39.9 15.3 10.9 32.8 101 197 A A H 3<5S+ 0 0 3 -4,-2.5 274,-0.3 1,-0.3 -1,-0.2 0.847 106.4 49.2 -58.8 -35.2 15.1 14.1 30.7 102 198 A A T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.485 121.2-112.5 -84.2 -3.8 12.1 12.6 28.8 103 199 A G T < 5S+ 0 0 0 -3,-1.5 -3,-0.2 -4,-0.4 -97,-0.2 0.453 73.6 129.5 89.3 4.3 10.5 11.7 32.2 104 200 A Y < - 0 0 0 -5,-2.0 -1,-0.3 -6,-0.2 -98,-0.1 -0.284 60.9-105.1 -90.0 172.9 10.8 7.9 31.9 105 201 A A > - 0 0 1 3,-0.1 3,-1.5 1,-0.1 14,-0.2 -0.880 11.5-150.2-103.0 123.2 12.2 5.3 34.2 106 202 A P T 3 S+ 0 0 15 0, 0.0 13,-2.4 0, 0.0 14,-1.0 0.749 96.4 59.1 -56.0 -27.0 15.5 3.7 33.5 107 203 A A T 3 S+ 0 0 8 11,-0.2 2,-1.0 10,-0.2 7,-0.5 0.586 85.4 82.3 -82.6 -14.0 14.4 0.4 35.1 108 204 A I < + 0 0 20 -3,-1.5 -3,-0.1 8,-0.1 -1,-0.1 -0.778 64.7 167.8-105.8 95.2 11.3 -0.3 32.8 109 205 A G - 0 0 8 -2,-1.0 10,-0.2 1,-0.1 4,-0.1 -0.336 36.8-156.5-105.8-179.8 12.6 -2.0 29.7 110 206 A F S S+ 0 0 0 8,-0.2 -1,-0.1 -2,-0.1 -87,-0.1 0.691 96.3 21.9-122.1 -60.0 11.4 -3.8 26.7 111 207 A V S S+ 0 0 25 7,-0.1 2,-0.3 1,-0.1 8,-0.1 0.915 133.7 39.3 -78.3 -50.7 14.2 -6.0 25.3 112 208 A H S S+ 0 0 59 6,-0.3 2,-0.3 5,-0.1 -1,-0.1 -0.773 77.9 174.3 -95.3 145.5 16.0 -6.0 28.7 113 209 A T + 0 0 36 -2,-0.3 -5,-0.1 -4,-0.1 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!* 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 0.0 186 92 B G 0 0 104 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 11.3 11.2 24.4 47.7 187 93 B G > - 0 0 44 3,-0.1 4,-2.7 1,-0.1 5,-0.1 0.041 360.0 -85.4 98.3 153.6 9.1 22.8 44.9 188 94 B A H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.842 123.3 47.1 -65.0 -43.5 6.7 19.8 44.8 189 95 B R H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 114.2 47.6 -65.7 -45.5 9.3 17.1 44.2 190 96 B S H > S+ 0 0 23 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.924 111.1 53.6 -57.5 -46.1 11.6 18.4 47.0 191 97 B D H X S+ 0 0 64 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 108.5 48.0 -57.3 -44.8 8.6 18.6 49.3 192 98 B K H X S+ 0 0 56 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.919 112.1 48.9 -65.2 -43.7 7.6 15.0 48.7 193 99 B L H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.895 109.7 51.4 -62.0 -41.4 11.0 13.7 49.3 194 100 B L H X S+ 0 0 64 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.890 111.1 49.7 -65.0 -35.7 11.4 15.7 52.5 195 101 B Y H X S+ 0 0 17 -4,-2.1 4,-2.0 -5,-0.2 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>X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.9 0.931 114.0 52.7 -71.6 -44.5 5.5 -1.9 48.9 308 220 B A H >X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 3,-0.7 0.888 103.8 58.2 -55.4 -40.4 5.9 -5.0 46.8 309 221 B D H 3< S+ 0 0 15 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.787 96.1 63.9 -66.9 -26.4 5.9 -7.2 49.9 310 222 B I H << S+ 0 0 10 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.895 121.0 17.7 -61.6 -36.3 2.4 -5.8 50.8 311 223 B I H XX S+ 0 0 30 -4,-0.9 3,-2.1 -3,-0.7 4,-0.6 0.526 94.3 97.9-115.6 -6.5 0.8 -7.3 47.7 312 224 B K T 3<>S+ 0 0 22 -4,-2.0 5,-2.8 1,-0.3 4,-0.2 0.757 83.7 53.3 -64.7 -26.7 3.1 -9.9 46.3 313 225 B F T 345S+ 0 0 18 -4,-0.4 -1,-0.3 3,-0.2 -2,-0.1 0.470 91.0 78.9 -85.1 -0.9 1.3 -12.9 47.8 314 226 B D T <45S- 0 0 105 -3,-2.1 -1,-0.2 3,-0.1 -2,-0.2 0.982 127.1 -34.9 -69.4 -55.5 -2.1 -11.9 46.4 315 227 B T T X5S+ 0 0 68 -4,-0.6 4,-2.0 -3,-0.1 -2,-0.1 0.526 127.3 71.3-135.9 -28.0 -1.5 -13.2 42.9 316 228 B V H >5S+ 0 0 3 -5,-0.4 4,-1.7 -4,-0.2 -3,-0.2 0.971 105.1 37.8 -68.2 -54.6 2.1 -12.8 41.9 317 229 B V H > S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.932 107.2 53.4 -54.8 -37.7 0.8 -17.8 43.6 319 231 B K H X S+ 0 0 49 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.892 103.3 55.8 -63.8 -37.8 1.4 -17.4 39.9 320 232 B A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.913 109.8 46.8 -58.7 -41.8 5.0 -18.4 40.2 321 233 B F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.885 109.3 53.5 -69.2 -41.3 3.9 -21.6 41.9 322 234 B E H X S+ 0 0 66 -4,-2.5 4,-0.6 -5,-0.2 -1,-0.2 0.917 114.1 42.1 -56.1 -45.5 1.3 -22.3 39.2 323 235 B I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.919 110.0 55.5 -73.2 -40.3 3.9 -22.0 36.5 324 236 B A H >< S+ 0 0 11 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.880 100.4 61.6 -57.8 -39.6 6.6 -23.9 38.4 325 237 B R H 3< S+ 0 0 156 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.736 97.2 58.9 -57.4 -27.9 4.0 -26.8 38.6 326 238 B R T << S- 0 0 139 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.533 107.4-130.1 -73.3 -3.9 4.1 -26.9 34.7 327 239 B N < - 0 0 120 -3,-2.1 2,-0.2 -4,-0.3 -3,-0.1 0.979 32.4-156.9 37.4 72.8 7.9 -27.6 34.8 328 240 B P 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4,-0.9 2,-0.2 -1,-0.2 0.872 107.2 54.7 -67.4 -39.4 -1.9 5.8 52.3 359 271 B V H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.945 112.2 42.7 -59.3 -48.0 1.1 4.0 53.7 360 272 B L H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 5,-0.3 0.858 106.6 63.6 -66.8 -32.9 3.0 7.3 54.1 361 273 B A H >< S+ 0 0 36 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.706 84.2 76.7 -62.5 -24.1 -0.2 8.9 55.5 362 274 B A T << S+ 0 0 26 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.664 75.8 75.0 -66.1 -15.5 -0.1 6.5 58.5 363 275 B G T < S- 0 0 2 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.624 104.1-129.8 -64.1 -13.2 2.7 8.7 60.0 364 276 B E < + 0 0 147 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.741 64.6 133.4 65.6 27.1 -0.1 11.1 60.8 365 277 B I S S- 0 0 49 -5,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 -0.874 71.7 -96.7-101.0 137.3 1.9 14.0 59.2 366 278 B Q - 0 0 84 -2,-0.4 3,-0.1 -3,-0.1 -1,-0.0 -0.376 46.4-124.2 -58.3 123.2 -0.0 16.2 56.8 367 279 B P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -175,-0.1 -0.276 41.6 -66.6 -66.4 153.9 0.7 14.9 53.3 368 280 B P 0 0 34 0, 0.0 -180,-0.0 0, 0.0 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19.9 17.2 32.8 379 100 C L H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.884 110.4 50.3 -64.0 -36.5 21.4 19.1 29.9 380 101 C Y H X S+ 0 0 14 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.960 111.7 46.5 -64.4 -51.0 23.1 21.5 32.5 381 102 C Q H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.923 115.1 47.5 -57.7 -44.6 24.6 18.7 34.5 382 103 C A H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.877 106.7 56.2 -68.3 -36.6 25.8 17.0 31.3 383 104 C K H X S+ 0 0 108 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.939 112.0 43.8 -56.5 -47.0 27.3 20.1 30.0 384 105 C L H < S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.875 116.4 46.2 -61.8 -43.8 29.3 20.5 33.1 385 106 C A H < S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.738 112.9 47.8 -76.8 -22.6 30.3 16.8 33.2 386 107 C L H < S+ 0 0 20 -4,-2.2 2,-0.5 -5,-0.1 -226,-0.2 0.523 94.9 78.4-100.1 -8.5 31.3 16.4 29.5 387 108 C D S X S- 0 0 41 -4,-0.8 4,-2.8 -3,-0.3 5,-0.2 -0.907 72.5-146.8-102.9 122.4 33.5 19.5 29.2 388 109 C E H > S+ 0 0 68 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.841 96.9 48.1 -64.7 -32.5 36.9 18.9 30.7 389 110 C D H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 114.8 44.1 -70.4 -48.0 37.3 22.6 31.8 390 111 C L H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 110.9 55.2 -64.0 -41.9 33.9 22.8 33.5 391 112 C R H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.911 106.2 51.5 -58.9 -41.5 34.3 19.4 35.1 392 113 C L H X S+ 0 0 27 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.870 106.5 53.7 -66.4 -36.0 37.5 20.4 36.7 393 114 C K H X S+ 0 0 69 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.920 111.7 45.6 -61.5 -43.8 35.9 23.6 38.1 394 115 C V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.949 112.4 50.6 -65.2 -45.6 33.2 21.3 39.7 395 116 C V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 108.6 52.4 -61.3 -39.4 35.7 18.8 41.0 396 117 C R H X S+ 0 0 87 -4,-2.5 4,-2.2 2,-0.2 11,-0.3 0.899 109.6 49.3 -67.6 -33.8 37.8 21.6 42.6 397 118 C K H X S+ 0 0 55 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.933 110.1 50.6 -67.5 -43.4 34.7 22.9 44.4 398 119 C X H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.884 109.9 51.5 -59.6 -43.5 33.9 19.5 45.7 399 120 C F H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 6,-0.4 0.925 110.4 47.5 -57.7 -48.9 37.4 19.2 46.9 400 121 C E H X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.892 112.5 48.3 -64.7 -40.8 37.3 22.4 48.8 401 122 C L H < S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 116.4 44.8 -63.9 -39.0 33.9 21.6 50.4 402 123 C R H < S+ 0 0 35 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.894 126.6 25.9 -68.4 -46.7 35.1 18.2 51.4 403 124 C F H < S- 0 0 47 -4,-2.7 -2,-0.2 2,-0.3 -3,-0.2 0.536 95.5-124.4-102.1 -14.8 38.5 19.1 52.8 404 125 C G S < S+ 0 0 70 -4,-2.2 -4,-0.1 -5,-0.3 -3,-0.1 0.722 84.5 75.4 73.7 18.7 38.1 22.8 53.9 405 126 C E S S- 0 0 94 -6,-0.4 -2,-0.3 -5,-0.3 -1,-0.2 -0.978 88.7 -85.1-153.9 161.3 41.0 23.9 51.7 406 127 C P - 0 0 86 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.322 42.5-104.4 -73.4 154.3 41.6 24.5 48.0 407 128 C A - 0 0 20 -11,-0.3 -11,-0.0 1,-0.1 4,-0.0 -0.416 47.7 -95.8 -63.8 141.0 42.6 21.9 45.5 408 129 C P > - 0 0 54 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.309 46.9-109.4 -58.5 142.9 46.2 22.0 44.5 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H X S+ 0 0 45 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 111.3 49.6 -63.1 -46.3 45.1 13.0 46.2 420 141 C E H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.920 108.6 53.2 -56.8 -44.6 41.6 12.4 47.5 421 142 C G H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.890 108.5 48.8 -61.6 -39.7 42.3 8.7 47.7 422 143 C S H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.922 111.6 49.3 -68.7 -38.7 45.5 9.2 49.7 423 144 C R H X S+ 0 0 73 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.892 110.7 51.4 -65.3 -36.5 43.7 11.5 52.1 424 145 C V H X S+ 0 0 26 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.926 108.8 49.4 -65.5 -46.4 40.9 9.0 52.5 425 146 C R H X S+ 0 0 166 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.926 112.1 49.7 -56.9 -42.5 43.4 6.2 53.3 426 147 C A H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.852 110.2 50.8 -64.0 -35.7 45.0 8.5 55.9 427 148 C T H X S+ 0 0 50 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.931 109.4 48.4 -71.9 -44.9 41.6 9.3 57.4 428 149 C Y H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 112.9 50.6 -58.3 -41.6 40.6 5.7 57.8 429 150 C A H X S+ 0 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