==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-DEC-11 3V1V . COMPND 2 MOLECULE: 2-METHYLISOBORNEOL SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR M.KOKSAL,D.W.CHRISTIANSON . 317 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.9 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 . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 1 0 1 0 2 1 1 0 0 0 0 1 1 0 0 0 2 0 1 0 0 0 1 0 1 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 1 116 A G 0 0 64 0, 0.0 2,-0.3 0, 0.0 307,-0.1 0.000 360.0 360.0 360.0 -4.7 26.9 13.6 -21.6 2 117 A R - 0 0 134 1,-0.1 2,-0.1 305,-0.1 313,-0.0 -0.651 360.0-123.1 -90.5 144.8 24.3 16.1 -22.6 3 118 A A - 0 0 24 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.391 43.3 -85.1 -72.6 154.0 23.4 19.0 -20.2 4 119 A V > - 0 0 2 1,-0.1 3,-2.3 -2,-0.1 -1,-0.1 -0.457 57.2-106.4 -54.8 123.4 19.7 19.4 -19.3 5 120 A P T 3 S+ 0 0 42 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.292 102.7 14.2 -55.4 135.5 18.2 21.5 -22.1 6 121 A G T 3 S+ 0 0 57 1,-0.3 2,-0.5 -3,-0.1 -2,-0.1 0.352 90.8 135.6 84.0 -6.8 17.6 25.1 -21.0 7 122 A L < - 0 0 8 -3,-2.3 2,-0.5 1,-0.1 -1,-0.3 -0.655 56.0-129.8 -79.6 123.2 19.7 24.7 -17.8 8 123 A Y + 0 0 64 -2,-0.5 2,-0.3 254,-0.3 -1,-0.1 -0.593 49.8 137.4 -74.4 121.4 21.9 27.8 -17.3 9 124 A H - 0 0 68 -2,-0.5 291,-0.1 294,-0.0 -6,-0.0 -0.950 46.8-118.6-158.6 170.7 25.5 26.6 -16.7 10 125 A H - 0 0 57 -2,-0.3 294,-0.2 290,-0.0 293,-0.1 -0.970 29.5-119.5-124.4 135.2 29.2 27.3 -17.5 11 126 A P - 0 0 118 0, 0.0 290,-0.1 0, 0.0 289,-0.1 -0.276 27.4-156.0 -71.0 155.3 31.5 24.8 -19.2 12 127 A V - 0 0 37 288,-0.1 42,-0.0 289,-0.1 285,-0.0 -0.981 21.9 -99.4-131.9 153.7 34.6 23.8 -17.3 13 128 A P - 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.114 52.6 -86.9 -61.7 155.8 38.0 22.4 -18.5 14 129 A E - 0 0 132 1,-0.1 2,-0.1 0, 0.0 36,-0.0 -0.497 55.6-104.6 -66.9 136.2 38.6 18.7 -18.4 15 130 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 -0.421 41.7 -92.8 -65.7 142.3 39.9 17.9 -14.9 16 131 A D > - 0 0 74 1,-0.2 4,-2.5 37,-0.1 3,-0.2 -0.340 34.0-152.3 -54.1 113.8 43.7 17.2 -14.7 17 132 A P H > S+ 0 0 93 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.782 92.1 60.4 -68.1 -23.9 43.9 13.3 -15.1 18 133 A V H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.953 111.2 39.3 -69.0 -45.1 47.1 13.2 -13.1 19 134 A R H > S+ 0 0 55 -3,-0.2 4,-3.0 2,-0.2 5,-0.3 0.884 113.4 56.1 -66.9 -39.0 45.4 14.7 -10.0 20 135 A V H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.954 111.0 44.7 -59.4 -42.7 42.2 12.7 -10.7 21 136 A E H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.874 112.5 49.1 -71.1 -34.4 44.2 9.5 -10.5 22 137 A E H X S+ 0 0 52 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.904 112.6 48.4 -70.7 -41.4 46.3 10.4 -7.5 23 138 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.952 110.9 53.5 -59.3 -45.1 43.0 11.4 -5.6 24 139 A S H X S+ 0 0 6 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.926 110.6 44.6 -58.8 -42.8 41.5 8.1 -6.7 25 140 A R H X S+ 0 0 110 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.925 115.7 45.9 -70.8 -38.8 44.3 6.1 -5.3 26 141 A R H X S+ 0 0 86 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.877 111.8 50.3 -71.9 -36.5 44.6 7.9 -2.0 27 142 A I H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.2 -1,-0.2 0.873 109.1 52.3 -71.0 -33.1 40.9 7.9 -1.3 28 143 A K H X S+ 0 0 102 -4,-1.7 4,-2.6 -5,-0.3 5,-0.3 0.932 111.3 48.3 -63.8 -43.5 40.6 4.2 -2.0 29 144 A R H X>S+ 0 0 97 -4,-1.9 4,-2.8 2,-0.2 5,-0.7 0.913 112.0 47.6 -62.9 -38.0 43.4 3.7 0.5 30 145 A W H X>S+ 0 0 1 -4,-2.4 5,-2.0 3,-0.2 4,-1.7 0.964 114.1 48.4 -66.2 -45.8 41.8 5.9 3.1 31 146 A A H <5S+ 0 0 0 -4,-3.0 6,-2.9 3,-0.2 7,-0.3 0.905 122.8 31.4 -59.3 -44.8 38.5 4.0 2.6 32 147 A E H <5S+ 0 0 76 -4,-2.6 -2,-0.2 4,-0.2 -1,-0.2 0.919 130.2 30.3 -82.4 -44.0 40.0 0.5 2.8 33 148 A D H <5S+ 0 0 94 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.806 126.5 30.4 -93.0 -33.3 42.8 1.0 5.2 34 149 A E T < - 0 0 62 -2,-1.2 4,-2.1 1,-0.1 5,-0.2 -0.941 29.6-162.5-118.4 142.1 34.5 4.6 -7.1 45 163 A G H > S+ 0 0 7 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.802 95.5 57.6 -73.8 -33.6 37.6 6.6 -6.6 46 164 A F H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 105.3 50.7 -64.8 -42.3 37.7 7.8 -10.1 47 165 A S H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.930 116.2 39.7 -56.3 -58.4 34.1 9.3 -9.7 48 166 A V H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.830 112.8 57.0 -70.5 -30.3 34.9 11.3 -6.6 49 167 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.954 110.2 43.1 -61.6 -46.0 38.4 12.2 -7.9 50 168 A R H X S+ 0 0 70 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.910 112.9 55.8 -64.0 -41.1 37.0 13.9 -11.0 51 169 A Y H X S+ 0 0 10 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.960 113.6 37.1 -53.3 -55.1 34.3 15.5 -8.8 52 170 A M H X S+ 0 0 2 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.875 116.2 51.1 -75.2 -38.7 36.7 17.2 -6.4 53 171 A V H < S+ 0 0 10 -4,-2.5 3,-0.5 -5,-0.3 -1,-0.2 0.956 113.5 47.7 -59.4 -45.8 39.4 18.1 -9.0 54 172 A G H < S+ 0 0 18 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.878 115.2 44.5 -62.3 -31.2 36.7 19.6 -11.1 55 173 A C H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.631 118.2 41.5 -90.1 -12.8 35.2 21.5 -8.2 56 174 A H >< + 0 0 1 -4,-1.5 3,-1.7 -3,-0.5 -1,-0.2 -0.545 59.7 157.6-132.6 65.8 38.5 22.8 -6.6 57 175 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 75.6 57.5 -65.1 -21.1 40.7 23.9 -9.5 58 176 A D T 3 S+ 0 0 54 -3,-0.1 -5,-0.0 236,-0.1 236,-0.0 0.379 70.8 129.5 -89.4 7.9 42.7 26.2 -7.1 59 177 A A < - 0 0 4 -3,-1.7 136,-0.2 1,-0.2 135,-0.1 -0.452 51.9-148.5 -64.3 127.4 43.8 23.4 -4.7 60 178 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.822 73.4 5.6 -63.6 -34.5 47.6 23.8 -4.2 61 179 A T S > S- 0 0 56 133,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.919 73.7-105.8-142.8 169.1 48.1 20.1 -3.6 62 180 A V H > S+ 0 0 17 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.842 118.7 63.0 -65.6 -35.7 46.4 16.7 -3.6 63 181 A D H > S+ 0 0 105 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.915 104.5 47.3 -53.9 -43.4 46.6 16.9 0.2 64 182 A H H > S+ 0 0 52 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.904 111.5 50.3 -62.5 -46.5 44.2 19.9 -0.0 65 183 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.873 105.5 57.8 -57.9 -39.0 41.9 18.1 -2.4 66 184 A M H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.788 93.9 65.3 -66.0 -28.9 41.8 15.1 -0.0 67 185 A L H X S+ 0 0 12 -4,-1.1 4,-1.2 -3,-0.5 -1,-0.2 0.953 112.6 34.6 -56.4 -50.1 40.5 17.3 2.8 68 186 A A H X S+ 0 0 5 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.849 115.9 57.0 -69.0 -37.5 37.3 17.8 0.7 69 187 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.937 106.5 45.7 -65.8 -45.7 37.3 14.3 -0.8 70 188 A R H X S+ 0 0 18 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.911 114.0 51.2 -66.2 -37.6 37.3 12.4 2.5 71 189 A L H X S+ 0 0 1 -4,-1.2 4,-2.3 -5,-0.4 -1,-0.2 0.902 110.3 48.6 -67.4 -39.2 34.5 14.7 3.8 72 190 A M H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.920 112.7 47.6 -61.4 -43.9 32.4 14.1 0.7 73 191 A V H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.898 112.7 49.3 -63.5 -40.1 32.9 10.3 0.9 74 192 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.900 108.9 52.7 -65.5 -42.4 32.0 10.4 4.6 75 193 A E H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.946 110.8 49.5 -57.9 -43.5 28.8 12.5 3.8 76 194 A N H X S+ 0 0 79 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.864 105.7 54.9 -61.8 -40.1 27.9 9.8 1.3 77 195 A A H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.805 109.0 48.0 -61.9 -43.9 28.4 7.0 3.8 78 196 A V H X>S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.3 5,-1.1 0.938 112.6 47.3 -58.7 -49.9 25.9 8.6 6.2 79 197 A D H X>S+ 0 0 66 -4,-2.3 4,-0.9 1,-0.2 5,-0.7 0.961 118.7 44.2 -64.6 -45.0 23.3 9.2 3.6 80 198 A D H <5S+ 0 0 85 -4,-3.1 4,-0.3 -5,-0.2 -1,-0.2 0.904 122.3 32.3 -59.7 -50.4 23.8 5.7 2.4 81 199 A C H <5S+ 0 0 63 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.730 133.6 22.2 -80.5 -31.5 24.0 3.8 5.8 82 200 A Y H <5S+ 0 0 4 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.802 112.2 57.5-107.2 -41.9 21.6 5.9 7.8 83 201 A C T << 0 0 12 -5,-1.1 -3,-0.2 -4,-0.9 -4,-0.1 0.712 360.0 360.0 -84.0 -16.3 19.2 7.9 5.7 84 202 A E < 0 0 126 -5,-0.7 -1,-0.1 -4,-0.3 77,-0.0 -0.972 360.0 360.0-129.1 360.0 17.7 4.9 3.9 85 ! 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 86 207 A S 0 0 48 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 108.4 13.0 6.2 6.2 87 208 A P > - 0 0 34 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.248 360.0-150.2 -62.0 126.0 14.2 5.2 9.8 88 209 A V T 3 S+ 0 0 119 1,-0.3 3,-0.5 -2,-0.2 77,-0.0 0.822 100.9 56.3 -52.9 -33.3 12.1 6.4 12.7 89 210 A G T >> S+ 0 0 45 1,-0.2 4,-2.0 2,-0.1 3,-0.9 0.326 74.1 113.1 -90.6 14.3 15.3 6.4 14.7 90 211 A L H <> + 0 0 6 -3,-2.0 4,-3.0 1,-0.3 5,-0.3 0.835 69.9 56.9 -53.3 -45.9 17.1 8.8 12.3 91 212 A G H 3> S+ 0 0 35 -3,-0.5 4,-1.9 -4,-0.2 -1,-0.3 0.870 109.5 45.7 -57.4 -37.0 17.4 11.7 14.7 92 213 A G H <> S+ 0 0 45 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.947 114.0 47.7 -71.7 -43.8 19.2 9.6 17.3 93 214 A R H X S+ 0 0 98 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.899 113.7 47.4 -62.1 -40.9 21.6 8.1 14.8 94 215 A L H X S+ 0 0 2 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.893 109.0 52.1 -73.4 -38.1 22.4 11.3 13.2 95 216 A L H X S+ 0 0 111 -4,-1.9 4,-1.3 -5,-0.3 -1,-0.2 0.949 110.9 48.7 -61.6 -42.7 23.0 13.2 16.5 96 217 A L H < S+ 0 0 93 -4,-2.3 3,-0.3 1,-0.2 4,-0.2 0.905 113.2 47.2 -66.4 -35.5 25.4 10.5 17.6 97 218 A A H >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.2 4,-0.4 0.876 104.2 62.2 -70.6 -32.4 27.3 10.7 14.2 98 219 A H H >X S+ 0 0 30 -4,-2.6 4,-2.8 1,-0.3 3,-1.8 0.808 90.3 67.8 -64.6 -24.8 27.3 14.5 14.5 99 220 A T T 3< S+ 0 0 19 -4,-1.3 5,-0.4 -3,-0.3 -1,-0.3 0.699 88.7 64.9 -72.6 -8.9 29.4 14.1 17.6 100 221 A A T <4 S+ 0 0 0 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.670 113.1 34.8 -75.5 -14.3 32.2 12.8 15.3 101 222 A I T <4 S+ 0 0 1 -3,-1.8 2,-0.6 -4,-0.4 -2,-0.2 0.806 132.1 27.6-103.3 -45.4 32.1 16.3 13.8 102 223 A D S < S- 0 0 85 -4,-2.8 -1,-0.3 45,-0.1 42,-0.0 -0.944 100.4-126.8-122.1 98.0 31.4 18.4 17.0 103 224 A H - 0 0 87 -2,-0.6 2,-0.2 -3,-0.2 -3,-0.1 -0.147 8.8-115.6 -63.3 152.7 32.8 16.4 19.9 104 225 A F - 0 0 80 -5,-0.4 2,-0.4 7,-0.1 -1,-0.1 -0.531 24.0-159.8 -74.0 139.3 31.1 15.3 23.0 105 226 A H + 0 0 164 -2,-0.2 2,-0.2 0, 0.0 -1,-0.0 -0.995 34.2 126.7-122.6 122.8 32.5 16.8 26.3 106 227 A S - 0 0 59 -2,-0.4 2,-0.0 1,-0.2 0, 0.0 -0.721 52.5 -45.7-154.7-159.9 31.7 14.8 29.4 107 228 A T > - 0 0 75 -2,-0.2 4,-2.1 1,-0.1 -1,-0.2 -0.175 54.0-102.8 -82.4 170.4 32.9 13.0 32.6 108 229 A A T 4 S+ 0 0 95 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.846 121.5 51.4 -62.5 -27.1 35.9 10.7 32.9 109 230 A E T 4 S+ 0 0 132 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.915 117.3 32.9 -74.4 -45.7 33.4 7.8 33.0 110 231 A Y T > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.1 5,-0.2 0.694 101.3 74.7 -92.1 -24.0 31.3 8.6 29.9 111 232 A T H X S+ 0 0 43 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.929 95.7 49.1 -55.6 -53.2 33.9 10.1 27.6 112 233 A P H > S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.835 107.3 55.6 -61.0 -29.8 35.7 6.8 26.7 113 234 A T H > S+ 0 0 97 -4,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.924 111.0 44.6 -67.8 -40.0 32.4 5.1 25.9 114 235 A W H X S+ 0 0 31 -4,-1.9 4,-1.0 2,-0.2 3,-0.4 0.930 109.8 57.1 -61.9 -45.3 31.6 7.8 23.4 115 236 A Q H >< S+ 0 0 103 -4,-2.8 3,-1.2 1,-0.3 4,-0.3 0.943 105.6 49.6 -53.5 -44.2 35.2 7.6 22.1 116 237 A A H >< S+ 0 0 67 -4,-2.2 3,-1.7 1,-0.3 4,-0.3 0.842 101.2 64.1 -64.2 -32.3 34.7 3.9 21.4 117 238 A S H >< S+ 0 0 27 -4,-1.4 3,-1.5 -3,-0.4 4,-0.4 0.781 87.5 70.8 -63.9 -24.4 31.4 4.7 19.5 118 239 A L T << S+ 0 0 3 -3,-1.2 -1,-0.3 -4,-1.0 10,-0.2 0.679 102.5 43.8 -69.1 -11.8 33.5 6.6 16.9 119 240 A A T < S+ 0 0 63 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.407 90.5 95.7-103.4 2.8 34.8 3.3 15.7 120 241 A A S < S+ 0 0 63 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.1 0.760 90.1 6.2 -74.1 -28.5 31.5 1.5 15.8 121 242 A D S > S- 0 0 36 -4,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.937 77.0-100.4-148.5 170.8 30.3 1.9 12.2 122 243 A A H > S+ 0 0 13 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.922 115.5 54.7 -66.2 -39.9 31.5 3.1 8.8 123 244 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.933 112.8 41.6 -61.3 -44.5 29.8 6.5 8.9 124 245 A R H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.903 114.4 50.6 -71.6 -34.5 31.3 7.5 12.2 125 246 A R H X S+ 0 0 60 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.941 113.2 48.3 -65.0 -37.0 34.7 6.1 11.4 126 247 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.2 5,-0.3 0.951 115.5 41.9 -67.1 -50.7 34.5 8.1 8.1 127 248 A Y H X S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.901 114.7 51.4 -60.5 -45.2 33.4 11.4 9.8 128 249 A D H X S+ 0 0 47 -4,-2.7 4,-2.1 -10,-0.2 -2,-0.2 0.945 117.2 38.7 -60.1 -50.1 35.8 11.1 12.7 129 250 A S H X S+ 0 0 24 -4,-2.3 4,-2.3 -5,-0.3 5,-0.3 0.955 118.1 47.3 -66.3 -48.4 38.8 10.5 10.4 130 251 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -59,-0.2 0.926 115.1 46.3 -61.2 -40.8 37.8 13.0 7.6 131 252 A M H X S+ 0 0 4 -4,-2.8 4,-3.2 -5,-0.3 5,-0.3 0.903 107.1 59.2 -72.5 -34.1 37.1 15.7 10.2 132 253 A G H X S+ 0 0 36 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.932 108.0 44.5 -60.6 -44.2 40.4 15.0 12.0 133 254 A Y H X S+ 0 0 83 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.919 115.0 49.8 -63.2 -42.8 42.4 15.8 8.8 134 255 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 3,-0.2 0.944 108.4 50.9 -59.2 -46.3 40.3 18.9 8.3 135 256 A V H < S+ 0 0 61 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.6 52.2 -64.3 -35.2 40.7 20.2 11.8 136 257 A R H < S+ 0 0 229 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.851 118.6 35.9 -65.6 -32.6 44.5 19.7 11.5 137 258 A A H < S+ 0 0 63 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.833 109.1 65.0 -89.8 -35.0 44.6 21.7 8.3 138 259 A A S < S- 0 0 11 -4,-2.9 60,-0.1 -5,-0.2 55,-0.0 -0.410 85.3-100.3 -96.7 165.9 42.0 24.4 8.7 139 260 A T > - 0 0 40 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.371 38.9-107.9 -75.9 159.8 41.8 27.4 11.1 140 261 A P H > S+ 0 0 114 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 122.4 53.5 -56.5 -37.6 39.5 27.0 14.1 141 262 A S H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 108.2 49.2 -63.9 -39.0 37.0 29.4 12.4 142 263 A Q H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 112.2 48.7 -65.6 -41.1 37.0 27.3 9.3 143 264 A S H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.923 112.2 48.0 -62.4 -42.7 36.3 24.1 11.4 144 265 A D H X S+ 0 0 106 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.902 109.6 53.0 -64.6 -38.9 33.5 25.8 13.3 145 266 A R H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.911 108.7 50.0 -63.3 -41.8 32.0 27.0 10.0 146 267 A Y H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.905 108.1 53.2 -63.5 -42.5 32.0 23.4 8.7 147 268 A R H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.906 109.3 48.9 -60.3 -41.7 30.3 22.1 11.9 148 269 A H H X S+ 0 0 102 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.935 111.1 49.9 -62.7 -41.9 27.5 24.7 11.5 149 270 A D H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.865 111.9 48.8 -67.7 -31.0 27.1 23.7 7.8 150 271 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.871 107.3 53.5 -73.4 -33.4 26.9 20.0 8.9 151 272 A A H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.912 109.9 50.4 -64.0 -43.4 24.4 20.8 11.6 152 273 A R H X S+ 0 0 37 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 110.3 49.3 -54.8 -48.1 22.3 22.5 8.7 153 274 A L H X S+ 0 0 9 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.943 110.2 49.2 -63.8 -43.4 22.7 19.4 6.6 154 275 A H H X S+ 0 0 10 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.904 110.2 51.2 -64.3 -38.3 21.6 17.0 9.4 155 276 A L H X S+ 0 0 113 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.910 109.2 52.7 -61.2 -41.8 18.5 19.2 10.1 156 277 A G H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.937 108.1 49.7 -55.3 -48.4 17.8 19.0 6.3 157 278 A Y H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.887 109.4 52.9 -59.1 -40.9 17.9 15.2 6.4 158 279 A L H X S+ 0 0 55 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.832 107.0 49.7 -73.6 -28.3 15.6 15.1 9.3 159 280 A A H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.932 113.3 47.9 -65.6 -48.8 12.9 17.2 7.7 160 281 A E H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 114.3 46.6 -58.7 -43.2 13.1 15.0 4.6 161 282 A G H X S+ 0 0 4 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.895 108.9 53.6 -67.8 -40.5 12.9 11.9 6.8 162 283 A A H X S+ 0 0 50 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.908 112.7 45.4 -57.9 -43.4 10.0 13.2 9.0 163 284 A W H >X>S+ 0 0 53 -4,-2.2 5,-2.3 1,-0.2 3,-1.3 0.911 109.1 55.2 -68.1 -37.8 8.0 13.9 5.8 164 285 A A H ><5S+ 0 0 58 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.835 95.2 68.2 -65.7 -27.5 8.8 10.5 4.3 165 286 A Q H 3<5S+ 0 0 97 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.788 115.5 26.0 -63.6 -27.9 7.5 8.8 7.4 166 287 A T H <<5S- 0 0 112 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.258 109.0-113.0-113.9 8.3 4.0 9.8 6.5 167 288 A G T <<5 + 0 0 53 -3,-0.7 2,-0.2 -4,-0.6 -3,-0.2 0.771 56.6 173.5 67.1 24.2 4.4 10.2 2.7 168 289 A H < - 0 0 83 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.432 25.1-156.5 -69.9 129.3 3.9 13.9 3.2 169 290 A V - 0 0 15 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.925 17.8-151.6-102.5 112.1 4.3 16.1 0.2 170 291 A P - 0 0 1 0, 0.0 79,-0.1 0, 0.0 5,-0.0 -0.235 29.7 -83.8 -76.2 170.8 5.1 19.6 1.4 171 292 A E > - 0 0 82 1,-0.1 4,-2.8 78,-0.1 5,-0.2 -0.286 48.3-104.2 -65.5 164.3 4.3 22.8 -0.5 172 293 A V H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.930 122.5 48.4 -61.1 -44.7 6.9 23.7 -3.1 173 294 A W H > S+ 0 0 173 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.867 111.5 53.4 -66.0 -30.1 8.5 26.6 -1.0 174 295 A E H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 108.4 48.0 -67.2 -41.8 8.6 24.1 2.0 175 296 A Y H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.925 112.2 49.9 -59.8 -47.8 10.4 21.5 -0.1 176 297 A L H X S+ 0 0 49 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.841 108.5 53.2 -61.6 -37.2 12.8 24.3 -1.2 177 298 A A H >X S+ 0 0 39 -4,-2.2 3,-1.0 2,-0.2 4,-0.8 0.950 110.7 46.2 -65.5 -45.1 13.4 25.4 2.4 178 299 A M H >X S+ 0 0 8 -4,-2.5 4,-3.1 1,-0.3 3,-1.1 0.915 111.6 52.6 -58.6 -41.0 14.2 21.8 3.3 179 300 A R H 3< S+ 0 0 30 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.582 96.3 66.4 -75.2 -12.4 16.5 21.6 0.3 180 301 A Q H << S+ 0 0 66 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.744 116.4 29.0 -70.6 -25.8 18.3 24.8 1.4 181 302 A F H << S+ 0 0 71 -3,-1.1 2,-1.7 -4,-0.8 -2,-0.2 0.851 113.7 59.4 -98.4 -49.4 19.6 22.7 4.4 182 303 A N S < S+ 0 0 8 -4,-3.1 2,-0.3 -26,-0.2 -1,-0.2 -0.659 97.1 118.6 -79.7 85.4 19.7 19.2 2.9 183 304 A N S S- 0 0 10 -2,-1.7 35,-0.1 -3,-0.1 -3,-0.1 -0.924 84.5-102.5-158.8 156.2 22.1 20.6 0.4 184 305 A F S > S+ 0 0 39 33,-0.4 3,-3.7 -2,-0.3 34,-0.1 0.612 81.6 116.1 -67.9 -10.3 25.7 20.5 -1.0 185 306 A R T 3> + 0 0 10 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.647 62.6 60.5 -32.5 -45.1 26.5 23.7 1.0 186 307 A P T 34 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.676 104.6 56.2 -63.1 -12.4 29.2 22.1 3.3 187 308 A C T X4 S+ 0 0 11 -3,-3.7 3,-1.4 2,-0.1 -2,-0.2 0.944 110.4 35.4 -87.1 -55.9 31.2 21.3 0.1 188 309 A P G >4 S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.850 109.2 66.9 -69.8 -21.5 31.6 24.7 -1.7 189 310 A T G 3< S+ 0 0 1 -4,-1.7 3,-0.3 1,-0.3 4,-0.2 0.625 94.5 57.5 -77.1 -7.4 31.9 26.5 1.6 190 311 A I G <> S+ 0 0 6 -3,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.271 72.4 109.4 -94.8 14.8 35.3 24.8 2.3 191 312 A T H <> S+ 0 0 1 -3,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.864 76.1 52.2 -60.3 -34.8 36.7 26.2 -1.0 192 313 A D H >>S+ 0 0 0 -3,-0.3 5,-2.5 2,-0.2 4,-0.7 0.948 110.3 46.6 -67.2 -45.7 39.0 28.6 1.1 193 314 A T H >45S+ 0 0 8 1,-0.3 3,-1.0 -4,-0.2 -2,-0.2 0.927 115.3 46.2 -60.6 -43.1 40.5 25.7 3.2 194 315 A V H 3<5S+ 0 0 0 -4,-2.7 -133,-0.3 1,-0.3 -1,-0.3 0.776 111.3 52.9 -70.2 -26.4 41.0 23.6 0.1 195 316 A G H 3<5S- 0 0 2 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.469 116.7-113.6 -88.3 -0.8 42.5 26.7 -1.7 196 317 A G T <<5S+ 0 0 49 -3,-1.0 2,-0.3 -4,-0.7 -3,-0.2 0.779 83.3 86.1 75.6 30.3 45.0 27.2 1.2 197 318 A Y < - 0 0 27 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.3 -0.829 69.7-114.4-142.8-173.0 43.7 30.6 2.4 198 319 A E - 0 0 68 -2,-0.3 93,-0.1 -3,-0.1 -60,-0.0 -0.973 1.1-149.7-134.8 126.9 41.1 31.9 4.8 199 320 A L - 0 0 0 -2,-0.4 5,-0.1 89,-0.1 -6,-0.0 -0.817 47.3-114.2 -77.9 113.6 37.9 33.9 4.3 200 321 A P >> - 0 0 49 0, 0.0 4,-2.4 0, 0.0 3,-1.1 -0.272 18.8-121.3 -58.5 145.4 38.0 35.7 7.7 201 322 A A H 3> S+ 0 0 40 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.854 109.8 55.6 -56.2 -41.9 35.0 34.7 9.9 202 323 A D H 34 S+ 0 0 144 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.825 110.3 46.1 -67.7 -23.1 33.6 38.2 10.3 203 324 A L H X4 S+ 0 0 31 -3,-1.1 3,-1.0 2,-0.2 6,-0.2 0.880 110.1 53.1 -83.5 -38.2 33.4 38.5 6.5 204 325 A H H 3< S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.921 106.2 56.0 -55.7 -41.7 31.8 35.1 6.2 205 326 A A T 3< S+ 0 0 62 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.609 77.4 119.0 -74.9 -8.6 29.2 36.1 8.7 206 327 A R S <> S- 0 0 80 -3,-1.0 4,-2.6 -4,-0.3 5,-0.2 -0.292 71.7-126.4 -55.6 140.9 28.0 39.2 6.7 207 328 A P H > S+ 0 0 114 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.885 109.6 53.0 -57.3 -37.9 24.4 38.9 5.8 208 329 A D H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.932 109.4 47.8 -70.1 -35.5 25.2 39.5 2.1 209 330 A M H > S+ 0 0 1 -6,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.899 109.3 54.1 -66.1 -41.0 27.8 36.7 2.1 210 331 A Q H X S+ 0 0 42 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.903 109.1 48.8 -64.0 -36.5 25.3 34.4 3.8 211 332 A R H X S+ 0 0 150 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.916 109.6 51.7 -64.5 -42.6 22.8 35.1 1.1 212 333 A V H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.948 112.2 46.6 -54.0 -49.7 25.3 34.5 -1.6 213 334 A I H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.929 112.3 49.3 -62.9 -44.3 26.3 31.1 -0.0 214 335 A A H X S+ 0 0 12 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.917 111.7 48.7 -62.8 -44.3 22.7 30.0 0.4 215 336 A L H X S+ 0 0 14 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.918 112.3 48.8 -61.5 -41.7 21.7 30.9 -3.2 216 337 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.936 113.5 45.7 -61.7 -48.2 24.7 29.0 -4.6 217 338 A G H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -33,-0.4 0.897 113.8 51.4 -63.2 -41.0 24.0 25.9 -2.5 218 339 A N H X S+ 0 0 21 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.949 112.2 44.1 -63.5 -46.5 20.4 26.1 -3.5 219 340 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.951 115.2 47.2 -58.3 -46.5 21.0 26.4 -7.2 220 341 A T H X S+ 0 0 0 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.806 110.5 52.1 -76.9 -19.7 23.6 23.7 -7.3 221 342 A T H X S+ 0 0 1 -4,-1.8 4,-1.5 -5,-0.3 3,-0.3 0.898 104.3 56.2 -77.2 -37.3 21.5 21.3 -5.2 222 343 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.873 98.7 65.0 -64.1 -27.9 18.5 21.8 -7.6 223 344 A V H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.3 5,-0.3 0.955 100.6 49.1 -54.9 -41.4 21.0 20.6 -10.3 224 345 A N H X S+ 0 0 19 -4,-1.0 4,-2.8 -3,-0.3 -1,-0.3 0.919 106.3 55.0 -68.2 -40.8 21.1 17.4 -8.6 225 346 A D H < S+ 0 0 0 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.923 111.8 46.6 -48.8 -42.6 17.2 17.2 -8.4 226 347 A L H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.919 117.4 39.5 -74.6 -44.4 17.2 17.7 -12.2 227 348 A Y H < S+ 0 0 5 -4,-2.8 87,-0.6 -5,-0.2 4,-0.3 0.824 120.8 43.8 -74.5 -23.7 19.9 15.1 -13.1 228 349 A S S X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.407 83.3 102.4-101.6 5.4 18.8 12.6 -10.6 229 350 A Y H > S+ 0 0 8 -4,-0.5 4,-1.2 -3,-0.5 -1,-0.2 0.938 83.5 45.3 -55.3 -47.3 15.0 12.9 -11.3 230 351 A T H 4 S+ 0 0 26 84,-0.6 3,-0.4 -4,-0.3 4,-0.4 0.911 113.4 50.2 -69.8 -38.1 14.8 9.7 -13.4 231 352 A K H >4 S+ 0 0 81 -4,-0.3 3,-1.6 83,-0.3 4,-0.4 0.897 106.6 55.7 -57.6 -43.0 16.9 7.6 -10.9 232 353 A E H >< S+ 0 0 18 -4,-2.5 3,-1.4 1,-0.3 7,-0.5 0.772 87.6 75.9 -72.2 -21.6 14.7 8.8 -8.0 233 354 A L T 3< S+ 0 0 97 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.781 100.5 45.5 -57.1 -23.1 11.5 7.5 -9.7 234 355 A N T < S+ 0 0 143 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.504 89.9 111.3 -94.6 -5.3 12.8 4.0 -8.6 235 356 A S S < S- 0 0 29 -3,-1.4 4,-0.3 -4,-0.4 -3,-0.0 -0.271 84.4 -80.4 -64.1 156.2 13.7 5.1 -5.1 236 357 A P S S- 0 0 79 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.277 97.4 -11.5 -57.6 140.1 11.5 3.7 -2.1 237 358 A G S S- 0 0 79 1,-0.2 2,-0.7 -3,-0.1 -73,-0.0 -0.334 121.8 -40.0 71.0-147.4 8.2 5.5 -1.6 238 359 A R - 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