==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-JAN-11 3QC7 . COMPND 2 MOLECULE: HEAD FIBER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE PHI29; . AUTHOR Y.XIANG,M.G.ROSSMANN . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0.6 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 . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 3 2 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 1 118 A I 0 0 210 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.5 -3.3 4.8 173.6 2 119 A S + 0 0 121 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.986 360.0 171.5-119.0 121.2 -1.2 6.5 170.9 3 120 A I - 0 0 106 -2,-0.5 2,-0.3 5,-0.0 3,-0.0 -0.786 21.1-136.8-115.1 167.7 1.5 4.7 169.0 4 121 A E > - 0 0 123 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.801 31.4 -99.7-118.6 165.7 3.5 5.8 166.0 5 122 A V G > S+ 0 0 28 -2,-0.3 3,-2.0 1,-0.3 6,-0.2 0.896 120.9 55.9 -52.5 -43.6 4.5 3.9 162.8 6 123 A E G 3 S+ 0 0 73 1,-0.3 -1,-0.3 10,-0.1 5,-0.1 0.632 93.1 70.1 -72.7 -7.8 8.0 3.1 164.0 7 124 A D G < S+ 0 0 74 -3,-1.8 2,-1.1 1,-0.1 -1,-0.3 0.605 75.4 93.8 -73.2 -14.8 6.5 1.4 167.2 8 125 A I X - 0 0 54 -3,-2.0 3,-1.5 -4,-0.3 -1,-0.1 -0.703 64.9-166.1 -88.0 102.1 5.3 -1.4 164.9 9 126 A K T 3 S+ 0 0 171 -2,-1.1 -1,-0.2 1,-0.3 -3,-0.0 0.715 77.7 43.0 -72.9 -22.4 8.2 -3.7 165.3 10 127 A D T 3 S+ 0 0 150 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.211 82.5 122.8-109.5 18.4 7.5 -6.1 162.4 11 128 A A < - 0 0 31 -3,-1.5 2,-0.1 -6,-0.2 3,-0.0 -0.505 59.8-125.7 -75.0 143.9 6.6 -3.5 159.8 12 129 A G > - 0 0 43 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.349 21.8-106.8 -83.6 168.7 8.7 -3.5 156.6 13 130 A D H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.949 122.1 38.8 -64.1 -49.6 10.5 -0.6 155.2 14 131 A T H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 113.8 58.3 -65.2 -38.7 8.1 -0.0 152.3 15 132 A G H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.910 107.3 45.5 -58.1 -42.9 5.2 -0.9 154.6 16 133 A K H X S+ 0 0 43 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.905 110.9 53.5 -68.9 -38.0 6.1 1.9 157.0 17 134 A R H X S+ 0 0 133 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.910 111.3 46.5 -61.1 -42.3 6.6 4.4 154.1 18 135 A L H >< S+ 0 0 56 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.911 108.4 54.5 -66.0 -41.3 3.1 3.5 152.8 19 136 A L H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.887 111.2 46.7 -63.1 -32.9 1.5 3.8 156.3 20 137 A K H 3< S+ 0 0 118 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.645 90.0 106.5 -78.2 -17.4 2.9 7.3 156.6 21 138 A I << - 0 0 70 -3,-0.8 -3,-0.0 -4,-0.8 6,-0.0 -0.355 51.5-163.3 -75.9 145.0 1.8 8.4 153.1 22 139 A N + 0 0 157 -2,-0.1 -1,-0.1 1,-0.1 -4,-0.0 0.710 63.5 35.5 -98.8 -23.8 -1.1 10.8 152.8 23 140 A T S > S- 0 0 72 1,-0.1 4,-2.0 0, 0.0 5,-0.1 -0.888 76.0-113.6-132.7 161.3 -2.2 10.6 149.2 24 141 A P H > S+ 0 0 92 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.883 116.6 56.5 -60.6 -37.9 -2.6 8.1 146.3 25 142 A S H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.906 106.6 49.8 -61.1 -41.5 0.2 10.0 144.3 26 143 A G H > S+ 0 0 14 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.901 110.0 51.0 -63.7 -39.7 2.5 9.5 147.2 27 144 A A H X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.908 108.4 51.0 -64.6 -40.3 1.7 5.8 147.4 28 145 A R H X S+ 0 0 75 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.872 105.5 56.6 -63.9 -36.4 2.3 5.4 143.7 29 146 A N H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.835 112.1 42.9 -64.0 -33.4 5.7 7.1 144.1 30 147 A I H < S+ 0 0 16 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.927 119.9 40.0 -74.0 -46.6 6.6 4.5 146.7 31 148 A I H < S+ 0 0 96 -4,-2.4 2,-0.7 -5,-0.1 -2,-0.2 0.815 103.9 64.3 -79.3 -37.7 5.3 1.4 144.9 32 149 A I < + 0 0 32 -4,-2.6 -1,-0.1 -5,-0.2 6,-0.0 -0.819 49.6 171.1-100.7 112.6 6.2 1.9 141.2 33 150 A E + 0 0 177 -2,-0.7 2,-0.5 5,-0.0 -1,-0.2 0.819 56.1 86.8 -88.2 -34.1 9.9 1.9 140.5 34 151 A N > - 0 0 73 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.608 68.6-152.6 -71.8 119.8 9.9 1.9 136.7 35 152 A E H > S+ 0 0 116 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.796 92.3 51.0 -69.2 -29.6 9.6 5.5 135.8 36 153 A D H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 112.1 46.0 -73.6 -44.0 7.9 4.8 132.5 37 154 A A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.901 112.1 52.0 -61.4 -39.4 5.3 2.6 134.1 38 155 A K H X S+ 0 0 23 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.925 107.9 52.6 -64.1 -40.9 4.8 5.3 136.9 39 156 A A H <>S+ 0 0 12 -4,-2.0 5,-2.4 1,-0.2 4,-0.4 0.907 109.2 48.8 -61.8 -42.8 4.3 7.9 134.2 40 157 A L H ><5S+ 0 0 102 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.939 111.8 48.5 -60.1 -46.5 1.6 5.8 132.5 41 158 A I H 3<5S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 111.0 50.8 -66.4 -29.9 -0.2 5.2 135.8 42 159 A N T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.501 110.6-125.4 -82.2 -3.3 -0.1 9.0 136.5 43 160 A G T < 5S+ 0 0 68 -3,-1.5 2,-0.4 -4,-0.4 -3,-0.2 0.793 79.3 110.9 62.0 31.4 -1.5 9.7 133.0 44 161 A E < + 0 0 147 -5,-2.4 2,-0.4 -6,-0.2 -2,-0.1 -0.834 40.6 165.3-142.8 89.2 1.5 11.9 132.3 45 162 A T - 0 0 34 -2,-0.4 2,-0.1 -5,-0.1 -9,-0.1 -0.929 23.6-150.6-118.0 133.6 3.9 10.6 129.7 46 163 A T > - 0 0 77 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.389 41.5 -99.1 -80.9 171.5 6.7 12.3 127.7 47 164 A N H > S+ 0 0 136 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.888 128.1 51.9 -60.0 -37.2 7.7 11.1 124.2 48 165 A T H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.931 109.0 49.1 -64.1 -46.0 10.6 9.2 125.9 49 166 A N H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.929 111.4 50.7 -56.8 -42.0 8.2 7.6 128.4 50 167 A K H X S+ 0 0 85 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 110.8 47.6 -63.3 -46.5 5.9 6.6 125.4 51 168 A K H X S+ 0 0 90 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.938 113.1 48.8 -61.3 -43.4 8.8 5.1 123.4 52 169 A N H X S+ 0 0 50 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.885 110.7 49.7 -66.9 -36.7 9.9 3.2 126.5 53 170 A L H X S+ 0 0 19 -4,-2.5 4,-1.3 -5,-0.2 3,-0.2 0.902 107.8 54.7 -67.2 -35.6 6.4 1.9 127.2 54 171 A Q H X S+ 0 0 39 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.891 103.8 55.5 -64.2 -35.7 6.2 0.8 123.5 55 172 A D H < S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 109.9 46.1 -63.1 -34.3 9.4 -1.2 124.1 56 173 A L H < S+ 0 0 113 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.698 118.3 43.2 -77.6 -21.9 7.6 -3.0 127.0 57 174 A L H < S+ 0 0 121 -4,-1.3 2,-0.4 -3,-0.3 -2,-0.2 0.705 111.0 44.6 -99.7 -23.0 4.5 -3.6 125.0 58 175 A F < - 0 0 86 -4,-2.0 -1,-0.2 -5,-0.1 6,-0.0 -0.988 48.3-169.3-131.6 135.8 5.6 -4.7 121.5 59 176 A S + 0 0 120 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.1 0.847 63.9 89.0 -89.3 -33.5 8.2 -7.2 120.4 60 177 A D > - 0 0 71 1,-0.1 4,-2.5 2,-0.0 5,-0.1 -0.504 60.4-156.3 -77.9 124.7 8.4 -6.5 116.7 61 178 A G H > S+ 0 0 42 -2,-0.4 4,-1.8 2,-0.2 -1,-0.1 0.790 93.2 52.3 -69.2 -28.1 10.9 -3.8 115.7 62 179 A N H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 110.8 47.9 -75.8 -38.6 9.3 -2.9 112.5 63 180 A V H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.914 110.4 53.6 -60.8 -44.0 5.9 -2.5 114.2 64 181 A K H X S+ 0 0 54 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.895 106.7 50.8 -62.3 -34.9 7.7 -0.4 116.9 65 182 A A H <>S+ 0 0 14 -4,-1.8 5,-2.3 2,-0.2 4,-0.3 0.916 109.6 50.7 -68.6 -40.5 9.2 1.9 114.2 66 183 A F H ><5S+ 0 0 130 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.941 108.5 51.7 -56.6 -45.8 5.7 2.4 112.7 67 184 A L H 3<5S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.1 50.5 -66.7 -27.3 4.3 3.3 116.1 68 185 A Q T 3<5S- 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.416 111.0-126.5 -82.2 -3.7 7.1 5.9 116.5 69 186 A A T < 5S+ 0 0 88 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.837 79.4 107.9 57.2 36.0 6.2 7.2 113.1 70 187 A T < + 0 0 104 -5,-2.3 2,-0.4 -6,-0.1 -2,-0.2 -0.857 44.1 171.5-143.2 103.4 9.8 6.8 112.0 71 188 A T - 0 0 38 -2,-0.3 2,-0.1 -5,-0.1 -9,-0.0 -0.937 21.5-146.3-119.5 137.2 10.5 4.0 109.5 72 189 A T > - 0 0 82 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.411 40.0 -99.6 -82.1 170.9 13.6 3.1 107.5 73 190 A D H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.899 127.5 51.2 -59.8 -38.1 13.4 1.6 104.1 74 191 A E H > S+ 0 0 162 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 109.5 49.4 -64.5 -40.9 14.0 -1.8 105.7 75 192 A N H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.928 110.1 52.4 -63.1 -42.6 11.2 -1.2 108.2 76 193 A K H X S+ 0 0 83 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.913 106.3 52.9 -61.8 -43.6 9.0 -0.2 105.3 77 194 A T H X S+ 0 0 66 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.935 112.6 44.9 -55.8 -44.3 9.8 -3.4 103.4 78 195 A A H X S+ 0 0 23 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.901 112.8 49.5 -69.8 -37.0 8.8 -5.5 106.5 79 196 A L H X S+ 0 0 22 -4,-2.5 4,-0.9 2,-0.2 3,-0.4 0.889 107.0 55.7 -70.5 -37.1 5.6 -3.5 107.1 80 197 A Q H >X S+ 0 0 42 -4,-2.8 4,-2.0 1,-0.2 3,-1.0 0.923 104.6 54.7 -55.7 -44.2 4.6 -3.8 103.5 81 198 A Q H 3< S+ 0 0 124 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.7 51.7 -63.4 -28.7 4.9 -7.6 103.9 82 199 A L H 3< S+ 0 0 117 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.690 117.1 40.0 -74.9 -19.7 2.5 -7.5 106.9 83 200 A L H << S+ 0 0 143 -3,-1.0 2,-0.4 -4,-0.9 -2,-0.2 0.690 118.2 35.8-102.5 -24.3 -0.1 -5.5 104.8 84 201 A V < - 0 0 43 -4,-2.0 -1,-0.2 -5,-0.1 6,-0.0 -0.999 49.3-171.1-139.9 132.5 0.0 -7.2 101.4 85 202 A S + 0 0 123 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.1 0.712 58.0 99.4 -97.8 -22.4 0.5 -10.8 100.3 86 203 A N > - 0 0 65 1,-0.2 4,-2.4 2,-0.1 5,-0.2 -0.505 62.5-150.0 -74.6 122.6 0.9 -10.6 96.6 87 204 A A H > S+ 0 0 63 -2,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.803 94.8 50.7 -64.2 -31.7 4.6 -10.7 95.7 88 205 A D H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 110.0 49.9 -77.1 -35.1 4.2 -8.6 92.5 89 206 A V H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.895 108.1 53.9 -66.4 -40.6 2.3 -5.9 94.4 90 207 A L H X S+ 0 0 34 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.892 105.8 54.3 -60.1 -37.6 5.1 -6.0 97.1 91 208 A G H <>S+ 0 0 7 -4,-1.5 5,-0.6 1,-0.2 4,-0.5 0.919 109.0 47.6 -58.2 -44.6 7.5 -5.4 94.2 92 209 A L H ><5S+ 0 0 101 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.919 107.6 54.7 -61.9 -44.6 5.5 -2.3 93.2 93 210 A L H 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 101.3 60.2 -64.2 -26.8 5.4 -0.9 96.7 94 211 A S T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.667 103.9-131.3 -68.4 -20.3 9.2 -1.1 96.9 95 212 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.1 -4,-0.5 -2,-0.1 0.298 93.0 76.5 80.1 -6.1 9.5 1.3 93.9 96 213 A N < - 0 0 133 -5,-0.6 -4,-0.1 0, 0.0 -3,-0.1 -0.501 66.1-178.4-133.7 64.1 11.9 -1.2 92.4 97 214 A P - 0 0 32 0, 0.0 -9,-0.1 0, 0.0 -5,-0.1 -0.310 27.8-117.3 -64.2 146.1 10.0 -4.1 91.0 98 215 A T > - 0 0 79 1,-0.1 4,-2.6 -10,-0.1 5,-0.2 -0.264 33.2 -98.2 -70.2 169.3 12.0 -7.0 89.4 99 216 A S H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.916 128.2 49.2 -54.2 -44.7 11.5 -7.8 85.7 100 217 A D H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 109.0 52.0 -62.8 -44.5 9.1 -10.6 86.7 101 218 A N H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 108.0 52.5 -56.4 -43.8 7.2 -8.3 88.9 102 219 A K H X S+ 0 0 109 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.936 110.1 46.9 -60.7 -48.6 6.8 -5.8 86.1 103 220 A I H X S+ 0 0 80 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.946 115.4 46.4 -56.5 -48.0 5.4 -8.4 83.7 104 221 A N H X S+ 0 0 72 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.822 109.4 54.0 -66.7 -32.2 3.0 -9.7 86.4 105 222 A L H X S+ 0 0 28 -4,-2.5 4,-1.6 2,-0.2 6,-0.2 0.898 109.4 48.3 -69.6 -39.3 1.9 -6.1 87.4 106 223 A R H X>S+ 0 0 82 -4,-2.2 5,-2.2 2,-0.2 4,-1.1 0.948 112.7 47.9 -65.5 -45.2 1.0 -5.4 83.8 107 224 A T H ><5S+ 0 0 104 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.929 106.9 58.6 -55.5 -46.8 -0.9 -8.7 83.5 108 225 A M H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.834 118.1 29.5 -53.6 -39.3 -2.7 -7.8 86.8 109 226 A I H 3<5S- 0 0 139 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.420 109.8-115.5-104.0 1.9 -4.1 -4.6 85.4 110 227 A G T <<5 + 0 0 70 -4,-1.1 2,-0.2 -3,-0.7 -3,-0.2 0.783 61.8 154.9 68.6 31.4 -4.4 -5.7 81.8 111 228 A A < - 0 0 44 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.2 -0.593 32.0-142.6 -88.9 152.0 -1.8 -3.1 80.6 112 229 A G - 0 0 66 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.537 20.9-103.3-101.5 171.8 0.4 -3.4 77.5 113 230 A V - 0 0 91 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.430 57.4 -70.8 -83.2 166.5 4.0 -2.4 76.8 114 231 A P - 0 0 127 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.456 58.9-134.8 -57.5 123.8 4.9 0.8 74.8 115 232 A Y - 0 0 176 -2,-0.2 2,-0.5 -3,-0.1 -3,-0.0 -0.749 19.8-168.0 -92.5 130.5 4.0 -0.1 71.2 116 233 A S - 0 0 105 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.973 24.2-127.8-115.0 122.4 6.3 0.6 68.4 117 234 A L - 0 0 116 -2,-0.5 2,-0.2 9,-0.1 9,-0.1 -0.543 27.5-148.1 -69.9 114.8 4.7 0.3 64.9 118 235 A P - 0 0 61 0, 0.0 9,-3.0 0, 0.0 2,-0.1 -0.536 21.1-100.1 -83.5 152.8 7.0 -2.0 62.8 119 236 A A B -a 127 0A 80 7,-0.3 9,-0.2 -2,-0.2 5,-0.1 -0.454 48.1 -96.4 -60.8 141.3 7.5 -1.6 59.0 120 237 A A - 0 0 44 7,-2.4 2,-0.3 -2,-0.1 5,-0.2 -0.316 44.3-171.2 -53.0 138.0 5.5 -4.1 56.9 121 238 A T - 0 0 81 3,-2.4 5,-0.1 -3,-0.1 -1,-0.0 -0.825 41.2-100.3-122.3 173.9 7.3 -7.3 55.8 122 239 A T S S+ 0 0 129 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.722 124.6 29.7 -65.5 -16.6 6.4 -10.0 53.4 123 240 A T S S+ 0 0 123 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.625 116.4 57.7-110.3 -21.0 5.3 -12.1 56.4 124 241 A T S S- 0 0 81 -5,-0.1 -3,-2.4 0, 0.0 -1,-0.2 -0.953 78.9-115.8-129.0 128.9 4.2 -9.6 59.1 125 242 A L + 0 0 169 -2,-0.4 2,-0.3 -5,-0.2 -3,-0.1 -0.269 52.7 144.6 -52.1 140.0 1.6 -6.9 59.2 126 243 A G - 0 0 32 -5,-0.1 -7,-0.3 -9,-0.1 2,-0.1 -0.957 45.9 -75.6-164.6 179.9 3.2 -3.4 59.6 127 244 A G B -a 119 0A 20 -9,-3.0 -7,-2.4 -2,-0.3 2,-0.3 -0.435 36.4-159.2 -82.9 162.1 3.0 0.3 58.7 128 245 A V - 0 0 89 -9,-0.2 2,-0.3 -2,-0.1 32,-0.1 -0.882 20.3-115.0-129.2 165.6 4.0 1.8 55.5 129 246 A K - 0 0 167 30,-1.4 2,-0.3 -2,-0.3 30,-0.1 -0.743 42.3-102.1 -92.4 152.3 5.0 5.3 54.4 130 247 A K - 0 0 200 -2,-0.3 30,-0.0 1,-0.1 2,-0.0 -0.601 40.8-113.5 -74.0 134.9 2.6 7.0 52.1 131 248 A G - 0 0 24 -2,-0.3 3,-0.1 1,-0.1 25,-0.1 -0.322 31.8-100.3 -66.4 149.8 3.8 7.0 48.4 132 249 A A - 0 0 67 23,-0.3 -1,-0.1 1,-0.2 27,-0.1 -0.080 56.9 -72.6 -57.6 165.2 4.8 10.2 46.6 133 250 A A - 0 0 102 22,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.314 47.0-162.7 -64.9 143.8 2.3 11.8 44.2 134 251 A V - 0 0 74 -3,-0.1 2,-0.2 21,-0.0 3,-0.1 -0.993 14.4-131.4-133.8 127.0 1.6 10.1 40.9 135 252 A T - 0 0 129 -2,-0.4 17,-0.1 1,-0.1 16,-0.1 -0.493 28.5-106.5 -73.4 138.8 -0.0 11.8 38.0 136 253 A A - 0 0 87 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.310 45.9-102.7 -58.0 150.8 -2.9 10.2 36.2 137 254 A S + 0 0 67 1,-0.1 -1,-0.1 -3,-0.1 8,-0.1 -0.676 37.6 173.8 -89.5 132.8 -1.9 8.8 32.7 138 255 A T + 0 0 135 -2,-0.4 -1,-0.1 6,-0.1 7,-0.1 -0.027 31.8 152.5-116.6 26.8 -2.7 10.6 29.4 139 256 A A + 0 0 32 1,-0.1 3,-0.1 5,-0.1 -2,-0.0 -0.315 26.4 178.4 -63.8 135.4 -0.6 8.2 27.3 140 257 A T + 0 0 143 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.435 68.9 48.0-113.5 -6.9 -1.6 7.6 23.7 141 258 A D S > S- 0 0 83 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.882 85.9-112.0-129.1 166.2 1.3 5.2 22.9 142 259 A V H > S+ 0 0 117 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.896 112.4 57.9 -62.3 -46.0 2.9 2.1 24.5 143 260 A A H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 111.4 41.6 -51.9 -44.9 6.2 3.8 25.4 144 261 A T H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 111.8 53.8 -74.0 -42.9 4.4 6.5 27.5 145 262 A A H X S+ 0 0 46 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.878 111.4 47.5 -54.9 -40.8 2.0 4.0 29.1 146 263 A V H X S+ 0 0 70 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.879 108.8 53.9 -69.6 -39.7 5.0 1.9 30.2 147 264 A K H X S+ 0 0 138 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.936 110.9 46.5 -56.2 -48.3 6.7 5.1 31.4 148 265 A D H X S+ 0 0 44 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.906 111.2 50.7 -66.0 -43.0 3.6 5.9 33.6 149 266 A L H X S+ 0 0 96 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.939 110.5 50.4 -55.6 -48.2 3.3 2.3 34.9 150 267 A N H X S+ 0 0 81 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.840 104.8 56.9 -62.7 -31.9 7.0 2.4 35.9 151 268 A S H X S+ 0 0 55 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.895 108.4 47.5 -64.4 -41.3 6.5 5.7 37.7 152 269 A L H X S+ 0 0 73 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 111.0 51.3 -63.0 -44.5 3.8 4.0 39.9 153 270 A I H X S+ 0 0 52 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.918 110.5 47.9 -59.7 -44.1 6.1 1.0 40.5 154 271 A T H X S+ 0 0 70 -4,-2.4 4,-3.6 2,-0.2 5,-0.2 0.937 110.0 52.5 -66.4 -43.5 9.0 3.2 41.6 155 272 A V H X S+ 0 0 18 -4,-2.1 4,-1.6 1,-0.2 -23,-0.3 0.933 111.8 45.9 -55.5 -46.7 6.7 5.3 43.9 156 273 A L H <>S+ 0 0 51 -4,-2.5 5,-2.6 1,-0.2 6,-1.4 0.868 114.3 48.5 -67.0 -32.9 5.5 2.1 45.6 157 274 A K H ><5S+ 0 0 76 -4,-2.2 3,-1.5 4,-0.2 -2,-0.2 0.921 108.5 53.9 -68.6 -44.6 9.0 0.8 45.9 158 275 A N H 3<5S+ 0 0 140 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.792 110.1 47.2 -57.5 -34.9 10.3 4.1 47.3 159 276 A A T 3<5S- 0 0 16 -4,-1.6 -30,-1.4 -5,-0.2 -1,-0.3 0.333 114.5-115.8 -89.5 3.3 7.6 4.0 50.1 160 277 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.783 80.5 126.7 61.8 29.5 8.4 0.4 50.9 161 278 A I S