REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2f6i_1_F DATA FIRST_RESID 177 DATA SEQUENCE HMDIKDMKKD VKLFFFKKRI IYLTDEINKK TADELISQLL YLDNINHNDI DATA SEQUENCE KIYINSPGGS INEGLAILDI FNYIKSDIQT ISFGLVASMA SVILASGKKG DATA SEQUENCE KRKSLPNCRI MIHQPLGNAF XXXXXXXXQT KEILYLKKLL YHYLSSFTNQ DATA SEQUENCE TVETIEKDSD RDYYMNALEA KQYGIIDEVI ETKLPHPYF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 177 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 177 H C 0.000 175.318 175.328 -0.017 0.000 0.993 177 H CA 0.000 56.045 56.048 -0.006 0.000 1.023 177 H CB 0.000 29.765 29.762 0.005 0.000 1.292 178 M N 0.357 119.945 119.600 -0.020 0.000 4.670 178 M HA 0.582 5.063 4.480 0.003 0.000 0.540 178 M C -0.291 175.993 176.300 -0.027 0.000 2.001 178 M CA 0.664 55.938 55.300 -0.043 0.000 0.488 178 M CB -0.991 31.564 32.600 -0.075 0.000 3.002 178 M HN 2.282 10.572 8.290 -0.000 0.000 0.600 179 D N 1.836 122.236 120.400 0.001 0.000 2.422 179 D HA 0.566 5.208 4.640 0.003 0.000 0.263 179 D C -0.197 176.110 176.300 0.011 0.000 1.334 179 D CA 0.546 54.552 54.000 0.010 0.000 1.105 179 D CB -0.204 40.611 40.800 0.025 0.000 1.107 179 D HN 0.912 9.282 8.370 -0.000 0.000 0.522 180 I N 0.558 121.125 120.570 -0.006 0.000 2.534 180 I HA 0.494 4.666 4.170 0.003 0.000 0.288 180 I C 1.283 177.397 176.117 -0.005 0.000 1.077 180 I CA -0.708 60.589 61.300 -0.006 0.000 1.051 180 I CB 2.183 40.163 38.000 -0.034 0.000 1.234 180 I HN 0.345 8.555 8.210 -0.000 0.000 0.425 181 K N 3.814 124.216 120.400 0.003 0.000 2.367 181 K HA 0.136 4.458 4.320 0.003 0.000 0.195 181 K C 0.229 176.828 176.600 -0.001 0.000 1.060 181 K CA 0.489 56.777 56.287 0.001 0.000 1.022 181 K CB 0.323 32.827 32.500 0.006 0.000 0.894 181 K HN 0.716 8.966 8.250 -0.000 0.000 0.540 182 D N -1.168 119.232 120.400 0.001 0.000 2.575 182 D HA 0.280 4.922 4.640 0.003 0.000 0.236 182 D C -0.163 176.135 176.300 -0.004 0.000 1.075 182 D CA -0.573 53.426 54.000 -0.000 0.000 0.860 182 D CB 2.022 42.825 40.800 0.005 0.000 1.475 182 D HN 0.044 8.414 8.370 -0.000 0.000 0.474 183 M N 2.669 122.264 119.600 -0.009 0.000 2.431 183 M HA 0.139 4.621 4.480 0.003 0.000 0.237 183 M C 0.358 176.652 176.300 -0.011 0.000 1.130 183 M CA 0.325 55.617 55.300 -0.014 0.000 1.002 183 M CB 0.119 32.708 32.600 -0.018 0.000 1.524 183 M HN 0.293 8.583 8.290 -0.000 0.000 0.482 184 K N -0.739 119.657 120.400 -0.005 0.000 2.642 184 K HA 0.244 4.566 4.320 0.003 0.000 0.214 184 K C 2.108 178.710 176.600 0.003 0.000 1.451 184 K CA 0.617 56.898 56.287 -0.011 0.000 0.917 184 K CB -0.221 32.268 32.500 -0.019 0.000 1.779 184 K HN -0.004 8.246 8.250 -0.000 0.000 0.447 185 K N 1.758 122.161 120.400 0.004 0.000 2.057 185 K HA -0.160 4.162 4.320 0.003 0.000 0.207 185 K C 1.603 178.230 176.600 0.045 0.000 1.049 185 K CA 2.398 58.693 56.287 0.012 0.000 0.931 185 K CB -0.880 31.621 32.500 0.002 0.000 0.714 185 K HN 0.117 8.367 8.250 -0.000 0.000 0.440 186 D N -0.123 120.305 120.400 0.047 0.000 2.269 186 D HA -0.030 4.612 4.640 0.003 0.000 0.208 186 D C 1.791 178.164 176.300 0.120 0.000 0.963 186 D CA 0.890 54.935 54.000 0.074 0.000 0.864 186 D CB 0.162 40.989 40.800 0.046 0.000 0.936 186 D HN 0.214 8.584 8.370 -0.000 0.000 0.505 187 V N 0.878 120.857 119.914 0.108 0.000 2.379 187 V HA -0.148 3.974 4.120 0.003 0.000 0.245 187 V C 2.311 178.626 176.094 0.369 0.000 1.044 187 V CA 1.188 63.593 62.300 0.175 0.000 1.036 187 V CB -0.167 31.731 31.823 0.125 0.000 0.664 187 V HN 0.114 8.304 8.190 -0.000 0.000 0.453 188 K N -0.121 120.429 120.400 0.250 0.000 2.097 188 K HA -0.110 4.212 4.320 0.003 0.000 0.206 188 K C 2.070 178.888 176.600 0.363 0.000 1.049 188 K CA 1.112 57.571 56.287 0.287 0.000 0.933 188 K CB -0.664 31.890 32.500 0.089 0.000 0.717 188 K HN 0.327 8.577 8.250 -0.000 0.000 0.442 189 L N 0.753 122.132 121.223 0.260 0.000 2.046 189 L HA -0.111 4.231 4.340 0.003 0.000 0.208 189 L C 2.200 179.246 176.870 0.293 0.000 1.077 189 L CA 1.347 56.346 54.840 0.264 0.000 0.747 189 L CB -0.691 41.470 42.059 0.170 0.000 0.896 189 L HN 0.093 8.323 8.230 -0.000 0.000 0.432 190 F N -0.499 119.512 119.950 0.102 0.000 2.126 190 F HA -0.286 4.243 4.527 0.003 0.000 0.299 190 F C 1.919 177.693 175.800 -0.044 0.000 1.096 190 F CA 1.824 59.802 58.000 -0.037 0.000 1.255 190 F CB -0.471 38.413 39.000 -0.194 0.000 0.997 190 F HN 0.101 8.401 8.300 -0.000 0.000 0.479 191 F N -0.906 119.210 119.950 0.277 0.000 2.206 191 F HA -0.099 4.430 4.527 0.003 0.000 0.298 191 F C 2.319 178.223 175.800 0.173 0.000 1.090 191 F CA 1.426 59.553 58.000 0.211 0.000 1.323 191 F CB -0.975 38.319 39.000 0.489 0.000 1.028 191 F HN 0.049 8.349 8.300 -0.000 0.000 0.492 192 F N 1.421 121.528 119.950 0.262 0.000 2.126 192 F HA -0.239 4.290 4.527 0.002 0.000 0.299 192 F C 2.127 177.973 175.800 0.077 0.000 1.096 192 F CA 1.567 59.665 58.000 0.164 0.000 1.255 192 F CB -0.246 38.830 39.000 0.127 0.000 0.997 192 F HN -0.194 8.106 8.300 -0.000 0.000 0.479 193 K N -0.001 120.372 120.400 -0.044 0.000 2.442 193 K HA -0.100 4.222 4.320 0.003 0.000 0.198 193 K C 1.159 177.624 176.600 -0.225 0.000 1.042 193 K CA 0.815 56.990 56.287 -0.185 0.000 0.958 193 K CB -0.061 32.365 32.500 -0.123 0.000 0.766 193 K HN 0.299 8.549 8.250 -0.000 0.000 0.474 194 K N 0.460 120.732 120.400 -0.214 0.000 2.397 194 K HA 0.166 4.488 4.320 0.003 0.000 0.202 194 K C -0.476 176.078 176.600 -0.076 0.000 1.022 194 K CA -0.084 56.095 56.287 -0.180 0.000 1.141 194 K CB 0.529 32.882 32.500 -0.245 0.000 0.857 194 K HN 0.047 8.297 8.250 -0.000 0.000 0.514 195 R N 0.567 121.009 120.500 -0.095 0.000 3.532 195 R HA -0.153 4.189 4.340 0.003 0.000 0.284 195 R C -0.705 175.616 176.300 0.034 0.000 1.140 195 R CA 0.583 56.643 56.100 -0.067 0.000 0.768 195 R CB -2.114 28.136 30.300 -0.083 0.000 1.252 195 R HN 0.214 8.484 8.270 -0.000 0.000 0.454 196 I N 1.433 122.097 120.570 0.157 0.000 2.418 196 I HA 0.439 4.611 4.170 0.003 0.000 0.287 196 I C 0.404 176.701 176.117 0.300 0.000 1.008 196 I CA -0.779 60.640 61.300 0.197 0.000 1.104 196 I CB 1.489 39.700 38.000 0.351 0.000 1.264 196 I HN 0.017 8.227 8.210 -0.000 0.000 0.438 197 I N 5.461 126.136 120.570 0.176 0.000 2.693 197 I HA 0.394 4.565 4.170 0.003 0.000 0.303 197 I C -1.230 174.969 176.117 0.137 0.000 1.025 197 I CA -0.894 60.564 61.300 0.264 0.000 1.086 197 I CB 2.007 40.147 38.000 0.234 0.000 1.268 197 I HN 0.324 8.534 8.210 -0.000 0.000 0.440 198 Y N 4.493 124.897 120.300 0.173 0.000 2.328 198 Y HA 0.428 4.979 4.550 0.003 0.000 0.336 198 Y C -0.299 175.659 175.900 0.096 0.000 0.960 198 Y CA -0.731 57.464 58.100 0.158 0.000 1.134 198 Y CB 1.670 40.202 38.460 0.120 0.000 1.166 198 Y HN 0.286 8.566 8.280 -0.000 0.000 0.464 199 L N 4.784 126.117 121.223 0.182 0.000 2.603 199 L HA 0.381 4.723 4.340 0.003 0.000 0.242 199 L C 0.409 177.309 176.870 0.049 0.000 1.169 199 L CA -0.107 54.791 54.840 0.096 0.000 1.029 199 L CB -0.181 41.912 42.059 0.056 0.000 1.361 199 L HN 0.676 8.906 8.230 -0.000 0.000 0.439 200 T N -1.850 112.760 114.554 0.093 0.000 3.268 200 T HA 0.520 4.872 4.350 0.003 0.000 0.258 200 T C -0.177 174.543 174.700 0.032 0.000 0.966 200 T CA -0.490 61.640 62.100 0.050 0.000 0.952 200 T CB -0.244 68.717 68.868 0.155 0.000 1.132 200 T HN 0.456 8.696 8.240 -0.000 0.000 0.536 201 D N 0.157 120.565 120.400 0.014 0.000 2.648 201 D HA 0.194 4.836 4.640 0.003 0.000 0.244 201 D C -0.969 175.329 176.300 -0.003 0.000 1.244 201 D CA -0.577 53.428 54.000 0.008 0.000 0.772 201 D CB 1.667 42.477 40.800 0.016 0.000 1.379 201 D HN 0.269 8.639 8.370 -0.000 0.000 0.428 202 E N 1.526 121.724 120.200 -0.004 0.000 2.653 202 E HA -0.040 4.312 4.350 0.003 0.000 0.264 202 E C -0.331 176.263 176.600 -0.009 0.000 0.949 202 E CA 0.219 56.614 56.400 -0.008 0.000 0.953 202 E CB 0.413 30.111 29.700 -0.003 0.000 0.925 202 E HN 0.381 8.741 8.360 -0.000 0.000 0.475 203 I N 6.098 126.658 120.570 -0.016 0.000 2.308 203 I HA 0.143 4.314 4.170 0.003 0.000 0.293 203 I C 0.444 176.554 176.117 -0.011 0.000 1.078 203 I CA -0.057 61.234 61.300 -0.016 0.000 1.292 203 I CB -0.107 37.875 38.000 -0.030 0.000 1.423 203 I HN 0.559 8.769 8.210 -0.000 0.000 0.493 204 N N 4.113 122.809 118.700 -0.006 0.000 3.157 204 N HA 0.336 5.078 4.740 0.003 0.000 0.291 204 N C 0.321 175.830 175.510 -0.002 0.000 1.515 204 N CA -0.907 52.141 53.050 -0.004 0.000 0.807 204 N CB 1.375 39.861 38.487 -0.002 0.000 1.672 204 N HN 0.087 8.467 8.380 -0.000 0.000 0.592 205 K N 0.891 121.290 120.400 -0.001 0.000 2.015 205 K HA -0.209 4.113 4.320 0.003 0.000 0.216 205 K C 1.942 178.542 176.600 0.001 0.000 1.052 205 K CA 2.007 58.294 56.287 -0.000 0.000 0.937 205 K CB -0.305 32.194 32.500 -0.001 0.000 0.719 205 K HN 0.556 8.806 8.250 -0.000 0.000 0.446 206 K N -0.732 119.667 120.400 -0.000 0.000 2.032 206 K HA -0.158 4.164 4.320 0.003 0.000 0.209 206 K C 1.982 178.582 176.600 -0.000 0.000 1.048 206 K CA 2.056 58.342 56.287 -0.001 0.000 0.927 206 K CB -0.313 32.185 32.500 -0.003 0.000 0.712 206 K HN 0.193 8.443 8.250 -0.000 0.000 0.441 207 T N 0.486 115.041 114.554 0.002 0.000 2.708 207 T HA -0.106 4.246 4.350 0.003 0.000 0.266 207 T C 1.783 176.491 174.700 0.014 0.000 1.037 207 T CA 1.376 63.480 62.100 0.006 0.000 1.146 207 T CB -0.250 68.621 68.868 0.006 0.000 0.865 207 T HN 0.444 8.684 8.240 -0.000 0.000 0.435 208 A N 1.115 123.942 122.820 0.011 0.000 1.969 208 A HA -0.097 4.225 4.320 0.003 0.000 0.218 208 A C 2.043 179.642 177.584 0.025 0.000 1.169 208 A CA 1.968 54.016 52.037 0.018 0.000 0.635 208 A CB -0.704 18.301 19.000 0.008 0.000 0.810 208 A HN 0.524 8.674 8.150 -0.000 0.000 0.445 209 D N -0.334 120.075 120.400 0.015 0.000 2.097 209 D HA -0.153 4.489 4.640 0.003 0.000 0.195 209 D C 1.927 178.238 176.300 0.017 0.000 0.989 209 D CA 1.684 55.693 54.000 0.016 0.000 0.827 209 D CB -0.106 40.698 40.800 0.007 0.000 0.966 209 D HN 0.621 8.991 8.370 -0.000 0.000 0.456 210 E N -0.500 119.704 120.200 0.007 0.000 2.072 210 E HA -0.145 4.207 4.350 0.003 0.000 0.191 210 E C 2.053 178.659 176.600 0.011 0.000 0.985 210 E CA 0.485 56.879 56.400 -0.010 0.000 0.801 210 E CB -0.129 29.555 29.700 -0.027 0.000 0.750 210 E HN 0.240 8.600 8.360 -0.000 0.000 0.452 211 L N 1.308 122.555 121.223 0.040 0.000 2.046 211 L HA -0.146 4.196 4.340 0.003 0.000 0.208 211 L C 2.056 178.993 176.870 0.111 0.000 1.077 211 L CA 1.507 56.397 54.840 0.083 0.000 0.747 211 L CB -0.282 41.838 42.059 0.101 0.000 0.896 211 L HN 0.118 8.348 8.230 -0.000 0.000 0.432 212 I N -1.299 119.328 120.570 0.095 0.000 2.226 212 I HA -0.303 3.869 4.170 0.003 0.000 0.245 212 I C 2.376 178.563 176.117 0.115 0.000 1.100 212 I CA 1.317 62.681 61.300 0.106 0.000 1.374 212 I CB -0.414 37.630 38.000 0.073 0.000 1.057 212 I HN 0.214 8.424 8.210 -0.000 0.000 0.413 213 S N 0.274 116.030 115.700 0.094 0.000 2.359 213 S HA -0.276 4.196 4.470 0.003 0.000 0.224 213 S C 1.940 176.655 174.600 0.191 0.000 1.035 213 S CA 1.466 59.734 58.200 0.114 0.000 1.018 213 S CB -0.381 62.854 63.200 0.059 0.000 0.876 213 S HN 0.463 8.773 8.310 -0.000 0.000 0.448 214 Q N 0.579 120.478 119.800 0.165 0.000 2.061 214 Q HA -0.066 4.276 4.340 0.003 0.000 0.204 214 Q C 2.271 178.513 176.000 0.404 0.000 0.984 214 Q CA 1.269 57.260 55.803 0.314 0.000 0.846 214 Q CB -0.416 28.421 28.738 0.166 0.000 0.902 214 Q HN 0.470 8.740 8.270 -0.000 0.000 0.421 215 L N 0.166 121.538 121.223 0.247 0.000 2.017 215 L HA -0.220 4.121 4.340 0.003 0.000 0.208 215 L C 2.339 179.308 176.870 0.166 0.000 1.073 215 L CA 1.020 55.961 54.840 0.168 0.000 0.745 215 L CB -0.477 41.645 42.059 0.105 0.000 0.894 215 L HN 0.270 8.500 8.230 -0.000 0.000 0.432 216 L N -1.522 119.813 121.223 0.187 0.000 2.046 216 L HA -0.276 4.066 4.340 0.003 0.000 0.208 216 L C 2.651 179.626 176.870 0.176 0.000 1.077 216 L CA 1.416 56.361 54.840 0.174 0.000 0.747 216 L CB -0.687 41.474 42.059 0.170 0.000 0.896 216 L HN 0.222 8.452 8.230 -0.000 0.000 0.432 217 Y N 0.709 121.091 120.300 0.138 0.000 2.145 217 Y HA -0.254 4.298 4.550 0.002 0.000 0.286 217 Y C 2.342 178.286 175.900 0.073 0.000 1.145 217 Y CA 1.595 59.778 58.100 0.139 0.000 1.148 217 Y CB -0.130 38.480 38.460 0.250 0.000 0.981 217 Y HN -0.005 8.275 8.280 -0.000 0.000 0.507 218 L N -0.232 121.086 121.223 0.158 0.000 2.056 218 L HA -0.184 4.158 4.340 0.003 0.000 0.207 218 L C 2.050 178.876 176.870 -0.072 0.000 1.078 218 L CA 1.763 56.581 54.840 -0.035 0.000 0.749 218 L CB -0.602 41.456 42.059 -0.001 0.000 0.901 218 L HN 0.179 8.409 8.230 -0.000 0.000 0.433 219 D N -0.145 120.254 120.400 -0.002 0.000 2.310 219 D HA -0.205 4.437 4.640 0.003 0.000 0.212 219 D C 1.979 178.306 176.300 0.045 0.000 0.965 219 D CA 0.606 54.630 54.000 0.040 0.000 0.879 219 D CB 0.023 40.837 40.800 0.023 0.000 0.921 219 D HN 0.159 8.529 8.370 -0.000 0.000 0.510 220 N N 0.062 118.724 118.700 -0.063 0.000 2.300 220 N HA -0.091 4.651 4.740 0.003 0.000 0.179 220 N C 1.581 176.983 175.510 -0.181 0.000 1.016 220 N CA 0.462 53.447 53.050 -0.108 0.000 0.876 220 N CB 0.116 38.509 38.487 -0.158 0.000 0.979 220 N HN 0.161 8.541 8.380 -0.000 0.000 0.432 221 I N 1.436 121.858 120.570 -0.246 0.000 2.163 221 I HA -0.109 4.063 4.170 0.003 0.000 0.240 221 I C 0.962 176.964 176.117 -0.191 0.000 1.081 221 I CA 1.175 62.334 61.300 -0.235 0.000 1.353 221 I CB -1.074 36.776 38.000 -0.250 0.000 1.054 221 I HN 0.357 8.567 8.210 -0.000 0.000 0.407 222 N N -0.903 117.698 118.700 -0.165 0.000 3.179 222 N HA 0.111 4.853 4.740 0.003 0.000 0.250 222 N C -0.526 174.948 175.510 -0.060 0.000 1.507 222 N CA -0.559 52.369 53.050 -0.203 0.000 0.883 222 N CB 1.218 39.614 38.487 -0.152 0.000 1.435 222 N HN 0.151 8.531 8.380 -0.000 0.000 0.532 223 H N -0.880 118.136 119.070 -0.089 0.000 2.488 223 H HA 0.299 4.857 4.556 0.003 0.000 0.294 223 H C -0.439 174.839 175.328 -0.085 0.000 1.088 223 H CA -0.763 55.232 56.048 -0.089 0.000 1.086 223 H CB 0.154 29.866 29.762 -0.083 0.000 1.569 223 H HN 0.315 8.595 8.280 -0.000 0.000 0.548 224 N N 1.271 119.980 118.700 0.016 0.000 2.424 224 N HA -0.013 4.729 4.740 0.003 0.000 0.257 224 N C -0.067 175.418 175.510 -0.041 0.000 1.250 224 N CA -0.151 52.886 53.050 -0.022 0.000 0.946 224 N CB 0.618 39.079 38.487 -0.043 0.000 1.175 224 N HN 0.240 8.620 8.380 -0.000 0.000 0.477 225 D N 0.460 120.829 120.400 -0.052 0.000 2.478 225 D HA 0.124 4.766 4.640 0.003 0.000 0.234 225 D C 0.119 176.369 176.300 -0.083 0.000 1.154 225 D CA 0.597 54.553 54.000 -0.073 0.000 0.874 225 D CB 0.567 41.326 40.800 -0.068 0.000 1.198 225 D HN 0.281 8.651 8.370 -0.000 0.000 0.455 226 I N 1.331 121.834 120.570 -0.111 0.000 2.509 226 I HA 0.235 4.407 4.170 0.003 0.000 0.293 226 I C 0.228 176.264 176.117 -0.135 0.000 1.020 226 I CA -0.862 60.371 61.300 -0.112 0.000 1.088 226 I CB 1.773 39.694 38.000 -0.132 0.000 1.267 226 I HN 0.036 8.246 8.210 -0.000 0.000 0.430 227 K N 7.193 127.519 120.400 -0.124 0.000 2.206 227 K HA 0.660 4.982 4.320 0.003 0.000 0.264 227 K C -1.357 175.108 176.600 -0.226 0.000 0.967 227 K CA -0.490 55.675 56.287 -0.204 0.000 0.844 227 K CB 1.311 33.664 32.500 -0.244 0.000 1.099 227 K HN 0.560 8.810 8.250 -0.000 0.000 0.441 228 I N 5.168 125.589 120.570 -0.249 0.000 2.439 228 I HA 0.203 4.375 4.170 0.003 0.000 0.283 228 I C -1.010 174.970 176.117 -0.228 0.000 1.023 228 I CA -0.946 60.257 61.300 -0.162 0.000 1.100 228 I CB 1.106 39.114 38.000 0.014 0.000 1.238 228 I HN 0.587 8.797 8.210 -0.000 0.000 0.445 229 Y N 6.517 126.714 120.300 -0.173 0.000 2.335 229 Y HA 0.430 4.982 4.550 0.003 0.000 0.331 229 Y C 0.316 176.117 175.900 -0.164 0.000 1.094 229 Y CA -0.171 57.855 58.100 -0.123 0.000 1.253 229 Y CB 0.889 39.287 38.460 -0.104 0.000 1.203 229 Y HN 0.352 8.632 8.280 -0.000 0.000 0.508 230 I N 3.728 124.223 120.570 -0.124 0.000 2.418 230 I HA 0.255 4.427 4.170 0.003 0.000 0.287 230 I C -0.589 175.238 176.117 -0.483 0.000 1.008 230 I CA -0.657 60.509 61.300 -0.223 0.000 1.104 230 I CB 1.524 39.445 38.000 -0.132 0.000 1.264 230 I HN 0.567 8.777 8.210 -0.000 0.000 0.438 231 N N 4.280 122.715 118.700 -0.441 0.000 2.722 231 N HA 0.246 4.988 4.740 0.003 0.000 0.242 231 N C -1.626 173.774 175.510 -0.182 0.000 1.398 231 N CA -0.133 52.657 53.050 -0.434 0.000 0.755 231 N CB 1.212 39.311 38.487 -0.648 0.000 1.268 231 N HN 0.556 8.936 8.380 -0.000 0.000 0.522 232 S N 1.689 117.305 115.700 -0.139 0.000 2.540 232 S HA 0.606 5.078 4.470 0.003 0.000 0.275 232 S C -2.408 172.142 174.600 -0.083 0.000 1.123 232 S CA -1.291 56.858 58.200 -0.085 0.000 0.907 232 S CB 1.655 64.812 63.200 -0.072 0.000 1.081 232 S HN 0.298 8.608 8.310 -0.000 0.000 0.476 233 P HA 0.265 4.685 4.420 -0.000 0.000 0.253 233 P C 0.972 178.229 177.300 -0.071 0.000 1.260 233 P CA 0.877 63.939 63.100 -0.064 0.000 0.800 233 P CB -0.361 31.323 31.700 -0.027 0.000 1.162 234 G N -0.513 108.246 108.800 -0.067 0.000 2.488 234 G HA2 0.103 4.065 3.960 0.003 0.000 0.237 234 G HA3 0.103 4.065 3.960 0.003 0.000 0.237 234 G C 0.146 175.023 174.900 -0.039 0.000 1.209 234 G CA -0.015 45.048 45.100 -0.062 0.000 0.929 234 G HN 0.645 8.935 8.290 -0.000 0.000 0.578 235 G N -1.651 107.130 108.800 -0.031 0.000 2.251 235 G HA2 0.496 4.458 3.960 0.003 0.000 0.058 235 G HA3 0.496 4.458 3.960 0.003 0.000 0.058 235 G C 0.356 175.247 174.900 -0.014 0.000 0.922 235 G CA 1.134 46.224 45.100 -0.018 0.000 1.133 235 G HN 2.332 10.622 8.290 -0.000 0.000 0.410 236 S N 0.810 116.502 115.700 -0.013 0.000 2.474 236 S HA 0.463 4.935 4.470 0.003 0.000 0.276 236 S C 1.741 176.332 174.600 -0.015 0.000 1.227 236 S CA -0.238 57.956 58.200 -0.010 0.000 1.050 236 S CB 0.156 63.353 63.200 -0.006 0.000 0.939 236 S HN 0.435 8.745 8.310 -0.000 0.000 0.490 237 I N 4.638 125.200 120.570 -0.013 0.000 2.286 237 I HA -0.163 4.009 4.170 0.003 0.000 0.248 237 I C 2.407 178.519 176.117 -0.009 0.000 1.115 237 I CA 0.633 61.923 61.300 -0.017 0.000 1.392 237 I CB -0.372 37.615 38.000 -0.021 0.000 1.065 237 I HN 0.656 8.866 8.210 -0.000 0.000 0.418 238 N N 0.823 119.525 118.700 0.003 0.000 2.069 238 N HA -0.191 4.551 4.740 0.003 0.000 0.191 238 N C 1.750 177.258 175.510 -0.003 0.000 1.031 238 N CA 1.380 54.435 53.050 0.009 0.000 0.852 238 N CB -0.125 38.369 38.487 0.011 0.000 1.018 238 N HN 0.331 8.711 8.380 -0.000 0.000 0.423 239 E N 0.113 120.307 120.200 -0.009 0.000 2.110 239 E HA -0.077 4.275 4.350 0.003 0.000 0.193 239 E C 1.969 178.552 176.600 -0.027 0.000 0.988 239 E CA 0.782 57.174 56.400 -0.013 0.000 0.804 239 E CB -0.605 29.088 29.700 -0.011 0.000 0.745 239 E HN 0.423 8.783 8.360 -0.000 0.000 0.458 240 G N 1.200 109.976 108.800 -0.039 0.000 2.402 240 G HA2 -0.194 3.768 3.960 0.003 0.000 0.216 240 G HA3 -0.194 3.768 3.960 0.003 0.000 0.216 240 G C 1.715 176.561 174.900 -0.089 0.000 1.162 240 G CA 0.353 45.411 45.100 -0.070 0.000 0.777 240 G HN 0.178 8.468 8.290 -0.000 0.000 0.539 241 L N 0.571 121.757 121.223 -0.063 0.000 2.201 241 L HA 0.035 4.377 4.340 0.003 0.000 0.212 241 L C 3.302 180.136 176.870 -0.060 0.000 1.105 241 L CA 0.678 55.472 54.840 -0.077 0.000 0.775 241 L CB -0.266 41.781 42.059 -0.021 0.000 0.913 241 L HN 0.313 8.543 8.230 -0.000 0.000 0.440 242 A N 0.525 123.326 122.820 -0.033 0.000 1.872 242 A HA -0.133 4.189 4.320 0.003 0.000 0.214 242 A C 2.196 179.777 177.584 -0.005 0.000 1.187 242 A CA 1.218 53.245 52.037 -0.016 0.000 0.614 242 A CB -0.502 18.493 19.000 -0.007 0.000 0.826 242 A HN 0.302 8.452 8.150 -0.000 0.000 0.442 243 I N -0.793 119.768 120.570 -0.015 0.000 2.226 243 I HA -0.235 3.937 4.170 0.003 0.000 0.245 243 I C 2.418 178.534 176.117 -0.002 0.000 1.100 243 I CA 1.133 62.442 61.300 0.015 0.000 1.374 243 I CB -0.275 37.700 38.000 -0.041 0.000 1.057 243 I HN 0.343 8.553 8.210 -0.000 0.000 0.413 244 L N 0.747 121.895 121.223 -0.125 0.000 2.083 244 L HA -0.249 4.092 4.340 0.003 0.000 0.209 244 L C 1.983 178.852 176.870 -0.002 0.000 1.083 244 L CA 1.978 56.721 54.840 -0.162 0.000 0.752 244 L CB -0.734 41.179 42.059 -0.243 0.000 0.899 244 L HN 0.192 8.422 8.230 -0.000 0.000 0.433 245 D N -0.540 119.860 120.400 -0.001 0.000 2.117 245 D HA -0.152 4.490 4.640 0.003 0.000 0.197 245 D C 2.256 178.635 176.300 0.133 0.000 0.987 245 D CA 1.242 55.270 54.000 0.046 0.000 0.829 245 D CB 0.035 40.841 40.800 0.010 0.000 0.961 245 D HN 0.267 8.637 8.370 -0.000 0.000 0.460 246 I N 0.377 121.033 120.570 0.143 0.000 2.252 246 I HA -0.208 3.964 4.170 0.003 0.000 0.245 246 I C 2.273 178.550 176.117 0.266 0.000 1.102 246 I CA 0.638 62.059 61.300 0.202 0.000 1.385 246 I CB -1.064 37.036 38.000 0.167 0.000 1.064 246 I HN -0.078 8.132 8.210 -0.000 0.000 0.414 247 F N 2.134 122.110 119.950 0.043 0.000 2.065 247 F HA -0.248 4.281 4.527 0.003 0.000 0.298 247 F C 2.281 178.091 175.800 0.017 0.000 1.112 247 F CA 1.696 59.704 58.000 0.013 0.000 1.212 247 F CB -0.525 38.458 39.000 -0.027 0.000 0.975 247 F HN 0.223 8.523 8.300 -0.000 0.000 0.476 248 N N -1.928 116.919 118.700 0.245 0.000 2.398 248 N HA -0.108 4.634 4.740 0.003 0.000 0.188 248 N C 1.318 176.909 175.510 0.135 0.000 1.122 248 N CA 0.305 53.445 53.050 0.151 0.000 0.866 248 N CB -0.082 38.498 38.487 0.154 0.000 0.970 248 N HN 0.419 8.799 8.380 -0.000 0.000 0.462 249 Y N 1.811 122.127 120.300 0.028 0.000 2.441 249 Y HA 0.210 4.762 4.550 0.003 0.000 0.288 249 Y C 1.163 177.042 175.900 -0.034 0.000 1.118 249 Y CA -0.243 57.860 58.100 0.005 0.000 1.215 249 Y CB 0.237 38.709 38.460 0.020 0.000 1.118 249 Y HN -0.141 8.139 8.280 -0.000 0.000 0.547 250 I N -0.389 120.134 120.570 -0.078 0.000 2.938 250 I HA 0.148 4.320 4.170 0.003 0.000 0.285 250 I C 0.878 176.820 176.117 -0.292 0.000 1.182 250 I CA -0.440 60.737 61.300 -0.205 0.000 1.388 250 I CB 0.935 38.888 38.000 -0.078 0.000 1.390 250 I HN -0.080 8.130 8.210 -0.000 0.000 0.600 251 K N 2.302 122.454 120.400 -0.413 0.000 2.137 251 K HA 0.121 4.443 4.320 0.003 0.000 0.202 251 K C 0.591 176.992 176.600 -0.332 0.000 1.052 251 K CA 0.594 56.580 56.287 -0.501 0.000 0.961 251 K CB -0.279 31.565 32.500 -1.092 0.000 0.741 251 K HN 0.728 8.978 8.250 -0.000 0.000 0.452 252 S N 2.122 117.672 115.700 -0.251 0.000 2.552 252 S HA -0.002 4.470 4.470 0.003 0.000 0.289 252 S C -0.128 174.380 174.600 -0.154 0.000 1.304 252 S CA -0.276 57.841 58.200 -0.138 0.000 1.063 252 S CB 0.324 63.469 63.200 -0.093 0.000 0.848 252 S HN 0.140 8.450 8.310 -0.000 0.000 0.499 253 D N 1.284 121.610 120.400 -0.123 0.000 2.339 253 D HA 0.348 4.990 4.640 0.003 0.000 0.245 253 D C -0.050 176.150 176.300 -0.167 0.000 1.115 253 D CA 0.122 54.046 54.000 -0.127 0.000 0.917 253 D CB 0.617 41.363 40.800 -0.090 0.000 1.192 253 D HN 0.332 8.702 8.370 -0.000 0.000 0.428 254 I N 1.572 122.024 120.570 -0.196 0.000 2.410 254 I HA 0.117 4.288 4.170 0.003 0.000 0.286 254 I C -0.155 175.871 176.117 -0.152 0.000 1.009 254 I CA -0.716 60.432 61.300 -0.253 0.000 1.111 254 I CB 1.446 39.122 38.000 -0.539 0.000 1.262 254 I HN 0.126 8.336 8.210 -0.000 0.000 0.443 255 Q N 4.567 124.285 119.800 -0.136 0.000 2.290 255 Q HA 0.533 4.875 4.340 0.003 0.000 0.259 255 Q C -0.544 175.387 176.000 -0.115 0.000 0.941 255 Q CA -0.827 54.913 55.803 -0.106 0.000 0.912 255 Q CB 1.564 30.240 28.738 -0.104 0.000 1.244 255 Q HN 0.640 8.910 8.270 -0.000 0.000 0.441 256 T N 0.554 115.065 114.554 -0.071 0.000 2.867 256 T HA 0.731 5.083 4.350 0.003 0.000 0.282 256 T C -0.088 174.563 174.700 -0.081 0.000 1.000 256 T CA -0.728 61.334 62.100 -0.063 0.000 1.042 256 T CB 0.706 69.575 68.868 0.002 0.000 0.973 256 T HN 0.593 8.833 8.240 -0.000 0.000 0.465 257 I N 2.801 123.309 120.570 -0.103 0.000 2.512 257 I HA 0.360 4.532 4.170 0.003 0.000 0.287 257 I C 0.122 176.281 176.117 0.071 0.000 1.069 257 I CA -0.875 60.415 61.300 -0.017 0.000 1.056 257 I CB 2.289 40.253 38.000 -0.061 0.000 1.229 257 I HN 0.902 9.112 8.210 -0.000 0.000 0.429 258 S N 5.980 121.724 115.700 0.073 0.000 2.651 258 S HA 0.912 5.384 4.470 0.003 0.000 0.291 258 S C -0.657 174.035 174.600 0.153 0.000 1.141 258 S CA -0.529 57.671 58.200 -0.000 0.000 1.027 258 S CB 1.909 65.085 63.200 -0.039 0.000 1.043 258 S HN 0.564 8.874 8.310 -0.000 0.000 0.530 259 F N -2.405 117.591 119.950 0.077 0.000 2.744 259 F HA 0.759 5.288 4.527 0.003 0.000 0.311 259 F C 0.482 176.315 175.800 0.054 0.000 1.144 259 F CA -0.360 57.681 58.000 0.069 0.000 0.938 259 F CB 0.631 39.673 39.000 0.070 0.000 1.292 259 F HN 1.227 9.527 8.300 -0.000 0.000 0.444 260 G N 1.281 110.271 108.800 0.316 0.000 2.652 260 G HA2 -0.124 3.838 3.960 0.003 0.000 0.278 260 G HA3 -0.124 3.838 3.960 0.003 0.000 0.278 260 G C -1.652 173.298 174.900 0.083 0.000 1.263 260 G CA 0.262 45.480 45.100 0.196 0.000 0.966 260 G HN 1.471 9.761 8.290 -0.000 0.000 0.544 261 L N -0.075 121.154 121.223 0.011 0.000 2.436 261 L HA 0.803 5.144 4.340 0.003 0.000 0.268 261 L C -0.641 176.183 176.870 -0.078 0.000 0.974 261 L CA -0.725 54.111 54.840 -0.007 0.000 0.826 261 L CB 2.329 44.405 42.059 0.028 0.000 1.291 261 L HN 0.840 9.070 8.230 -0.000 0.000 0.406 262 V N 4.024 123.876 119.914 -0.104 0.000 2.577 262 V HA 0.981 5.103 4.120 0.003 0.000 0.303 262 V C -0.352 175.632 176.094 -0.182 0.000 1.042 262 V CA -0.068 62.150 62.300 -0.136 0.000 0.872 262 V CB 1.392 33.138 31.823 -0.128 0.000 0.998 262 V HN 0.988 9.178 8.190 -0.000 0.000 0.423 263 A N 2.967 125.675 122.820 -0.186 0.000 2.569 263 A HA 0.906 5.228 4.320 0.003 0.000 0.290 263 A C 0.346 177.820 177.584 -0.183 0.000 1.136 263 A CA 0.297 52.181 52.037 -0.254 0.000 0.710 263 A CB 1.728 20.531 19.000 -0.328 0.000 1.303 263 A HN 1.441 9.591 8.150 -0.000 0.000 0.413 264 S N -0.985 114.601 115.700 -0.190 0.000 4.106 264 S HA -0.350 4.122 4.470 0.003 0.000 0.541 264 S C 1.615 176.178 174.600 -0.062 0.000 1.846 264 S CA 2.712 60.855 58.200 -0.095 0.000 4.137 264 S CB -1.101 62.053 63.200 -0.077 0.000 0.892 264 S HN 1.733 10.043 8.310 -0.000 0.000 0.535 265 M N 1.829 121.395 119.600 -0.057 0.000 2.267 265 M HA 0.047 4.528 4.480 0.003 0.000 0.263 265 M C 2.124 178.370 176.300 -0.090 0.000 1.063 265 M CA 2.510 57.774 55.300 -0.061 0.000 1.090 265 M CB -1.212 31.350 32.600 -0.063 0.000 1.392 265 M HN 0.627 8.917 8.290 -0.000 0.000 0.422 266 A N -1.818 120.944 122.820 -0.098 0.000 1.930 266 A HA -0.112 4.210 4.320 0.003 0.000 0.217 266 A C 2.284 179.801 177.584 -0.111 0.000 1.175 266 A CA 2.048 54.017 52.037 -0.113 0.000 0.627 266 A CB -0.848 18.086 19.000 -0.110 0.000 0.815 266 A HN 0.506 8.656 8.150 -0.000 0.000 0.443 267 S N -0.416 115.227 115.700 -0.095 0.000 2.387 267 S HA -0.094 4.378 4.470 0.003 0.000 0.226 267 S C 1.846 176.430 174.600 -0.026 0.000 1.026 267 S CA 1.325 59.482 58.200 -0.072 0.000 0.972 267 S CB -0.327 62.825 63.200 -0.080 0.000 0.814 267 S HN 0.349 8.659 8.310 -0.000 0.000 0.477 268 V N 2.008 121.922 119.914 -0.001 0.000 2.427 268 V HA -0.112 4.010 4.120 0.003 0.000 0.248 268 V C 1.996 178.067 176.094 -0.039 0.000 1.051 268 V CA 1.332 63.681 62.300 0.083 0.000 1.048 268 V CB -0.648 31.241 31.823 0.110 0.000 0.666 268 V HN 0.450 8.640 8.190 -0.000 0.000 0.456 269 I N -0.431 120.036 120.570 -0.173 0.000 2.252 269 I HA -0.204 3.968 4.170 0.003 0.000 0.245 269 I C 2.386 178.335 176.117 -0.280 0.000 1.102 269 I CA 1.188 62.257 61.300 -0.385 0.000 1.385 269 I CB -0.298 37.433 38.000 -0.449 0.000 1.064 269 I HN 0.323 8.533 8.210 -0.000 0.000 0.414 270 L N 1.492 122.622 121.223 -0.156 0.000 2.017 270 L HA -0.144 4.198 4.340 0.003 0.000 0.208 270 L C 2.448 179.255 176.870 -0.104 0.000 1.073 270 L CA 2.220 57.003 54.840 -0.095 0.000 0.745 270 L CB -0.759 41.258 42.059 -0.072 0.000 0.894 270 L HN 0.164 8.394 8.230 -0.000 0.000 0.432 271 A N -1.198 121.560 122.820 -0.104 0.000 2.168 271 A HA -0.079 4.243 4.320 0.003 0.000 0.215 271 A C 2.229 179.545 177.584 -0.448 0.000 1.152 271 A CA 1.236 53.206 52.037 -0.113 0.000 0.716 271 A CB -0.852 18.200 19.000 0.086 0.000 0.794 271 A HN 0.665 8.815 8.150 -0.000 0.000 0.465 272 S N -0.703 114.602 115.700 -0.658 0.000 2.575 272 S HA 0.343 4.815 4.470 0.003 0.000 0.215 272 S C 1.091 175.464 174.600 -0.378 0.000 0.966 272 S CA 0.171 57.727 58.200 -1.075 0.000 0.911 272 S CB -0.524 62.099 63.200 -0.960 0.000 0.780 272 S HN 0.617 8.927 8.310 -0.000 0.000 0.514 273 G N 1.476 110.175 108.800 -0.168 0.000 2.664 273 G HA2 0.313 4.275 3.960 0.003 0.000 0.242 273 G HA3 0.313 4.275 3.960 0.003 0.000 0.242 273 G C -0.256 174.594 174.900 -0.083 0.000 1.225 273 G CA -0.675 44.405 45.100 -0.034 0.000 0.849 273 G HN 0.361 8.651 8.290 -0.000 0.000 0.581 274 K N 0.376 120.738 120.400 -0.063 0.000 2.491 274 K HA 0.389 4.711 4.320 0.003 0.000 0.279 274 K C 0.981 177.553 176.600 -0.045 0.000 1.026 274 K CA 0.578 56.831 56.287 -0.055 0.000 1.070 274 K CB -0.419 32.048 32.500 -0.056 0.000 0.887 274 K HN 0.663 8.913 8.250 -0.000 0.000 0.481 275 K N 2.801 123.181 120.400 -0.032 0.000 2.491 275 K HA 0.291 4.613 4.320 0.003 0.000 0.279 275 K C 1.303 177.894 176.600 -0.015 0.000 1.026 275 K CA 0.503 56.780 56.287 -0.017 0.000 1.070 275 K CB -0.902 31.600 32.500 0.003 0.000 0.887 275 K HN 1.131 9.381 8.250 -0.000 0.000 0.481 276 G N 1.369 110.162 108.800 -0.013 0.000 2.213 276 G HA2 -0.233 3.729 3.960 0.003 0.000 0.236 276 G HA3 -0.233 3.729 3.960 0.003 0.000 0.236 276 G C 0.892 175.782 174.900 -0.016 0.000 0.991 276 G CA 0.590 45.684 45.100 -0.011 0.000 0.629 276 G HN 0.696 8.986 8.290 -0.000 0.000 0.517 277 K N -0.021 120.364 120.400 -0.026 0.000 2.438 277 K HA 0.248 4.570 4.320 0.003 0.000 0.205 277 K C 0.665 177.243 176.600 -0.037 0.000 1.033 277 K CA -0.385 55.882 56.287 -0.034 0.000 1.089 277 K CB 0.717 33.189 32.500 -0.046 0.000 0.857 277 K HN 0.232 8.482 8.250 -0.000 0.000 0.522 278 R N 1.932 122.415 120.500 -0.029 0.000 2.196 278 R HA 0.251 4.593 4.340 0.003 0.000 0.340 278 R C -0.380 175.914 176.300 -0.010 0.000 1.043 278 R CA -0.025 56.059 56.100 -0.027 0.000 0.883 278 R CB 0.750 31.032 30.300 -0.030 0.000 1.078 278 R HN -0.042 8.228 8.270 -0.000 0.000 0.462 279 K N 0.661 121.058 120.400 -0.005 0.000 2.378 279 K HA 0.565 4.887 4.320 0.003 0.000 0.244 279 K C -0.756 175.871 176.600 0.044 0.000 1.039 279 K CA -0.895 55.405 56.287 0.021 0.000 0.863 279 K CB 2.320 34.836 32.500 0.026 0.000 1.326 279 K HN 0.358 8.608 8.250 -0.000 0.000 0.460 280 S N 0.679 116.423 115.700 0.073 0.000 2.543 280 S HA 0.408 4.880 4.470 0.003 0.000 0.271 280 S C -1.095 173.591 174.600 0.143 0.000 1.148 280 S CA -0.807 57.457 58.200 0.107 0.000 0.914 280 S CB 0.666 63.915 63.200 0.082 0.000 1.096 280 S HN 0.509 8.819 8.310 -0.000 0.000 0.471 281 L N 4.689 126.024 121.223 0.187 0.000 2.464 281 L HA 0.283 4.625 4.340 0.003 0.000 0.264 281 L C -1.332 175.648 176.870 0.183 0.000 1.199 281 L CA -1.761 53.185 54.840 0.178 0.000 0.818 281 L CB 0.394 42.567 42.059 0.190 0.000 1.102 281 L HN 0.557 8.787 8.230 -0.000 0.000 0.473 282 P HA -0.174 4.246 4.420 -0.000 0.000 0.215 282 P C 0.429 177.850 177.300 0.201 0.000 1.163 282 P CA 1.618 64.845 63.100 0.212 0.000 0.894 282 P CB 0.080 31.866 31.700 0.144 0.000 0.791 283 N N -2.149 116.656 118.700 0.174 0.000 2.449 283 N HA 0.029 4.771 4.740 0.003 0.000 0.191 283 N C 0.071 175.679 175.510 0.165 0.000 1.161 283 N CA -0.220 52.935 53.050 0.174 0.000 0.863 283 N CB -0.467 38.078 38.487 0.097 0.000 0.980 283 N HN 0.155 8.535 8.380 -0.000 0.000 0.458 284 C N 1.848 121.247 119.300 0.166 0.000 2.653 284 C HA 0.214 4.676 4.460 0.003 0.000 0.421 284 C C 0.052 175.110 174.990 0.113 0.000 1.334 284 C CA -0.563 58.538 59.018 0.138 0.000 1.885 284 C CB -0.402 27.413 27.740 0.124 0.000 2.645 284 C HN 0.324 8.554 8.230 -0.000 0.000 0.601 285 R N 5.788 126.343 120.500 0.092 0.000 2.338 285 R HA 0.627 4.969 4.340 0.003 0.000 0.317 285 R C -0.771 175.519 176.300 -0.017 0.000 0.968 285 R CA -0.288 55.866 56.100 0.090 0.000 0.849 285 R CB 0.932 31.343 30.300 0.185 0.000 1.128 285 R HN 0.726 8.996 8.270 -0.000 0.000 0.448 286 I N 4.684 125.200 120.570 -0.091 0.000 2.465 286 I HA 0.483 4.655 4.170 0.003 0.000 0.291 286 I C 0.357 176.271 176.117 -0.339 0.000 1.014 286 I CA -0.702 60.483 61.300 -0.190 0.000 1.093 286 I CB 1.697 39.609 38.000 -0.147 0.000 1.267 286 I HN 0.404 8.614 8.210 -0.000 0.000 0.431 287 M N 4.530 123.886 119.600 -0.408 0.000 2.575 287 M HA 0.565 5.047 4.480 0.003 0.000 0.284 287 M C -0.935 175.133 176.300 -0.387 0.000 1.253 287 M CA -0.612 54.384 55.300 -0.506 0.000 0.861 287 M CB 2.684 34.756 32.600 -0.881 0.000 1.733 287 M HN 0.454 8.744 8.290 -0.000 0.000 0.462 288 I N 0.158 120.579 120.570 -0.248 0.000 2.628 288 I HA 0.003 4.175 4.170 0.003 0.000 0.255 288 I C 1.167 177.242 176.117 -0.071 0.000 1.119 288 I CA 0.270 61.515 61.300 -0.093 0.000 1.448 288 I CB -0.364 37.657 38.000 0.034 0.000 1.133 288 I HN 0.864 9.074 8.210 -0.000 0.000 0.438 289 H N 1.443 120.499 119.070 -0.022 0.000 2.711 289 H HA 0.177 4.735 4.556 0.003 0.000 0.381 289 H C -0.340 174.977 175.328 -0.017 0.000 1.535 289 H CA -0.376 55.681 56.048 0.014 0.000 1.470 289 H CB 0.082 29.851 29.762 0.011 0.000 1.551 289 H HN 0.129 8.409 8.280 -0.000 0.000 0.613 290 Q N 0.986 120.841 119.800 0.092 0.000 2.347 290 Q HA 0.188 4.530 4.340 0.003 0.000 0.262 290 Q C -1.855 174.224 176.000 0.131 0.000 0.980 290 Q CA -1.960 53.857 55.803 0.022 0.000 0.867 290 Q CB 1.914 30.676 28.738 0.040 0.000 1.242 290 Q HN 0.680 8.950 8.270 -0.000 0.000 0.453 291 P HA -0.042 4.378 4.420 -0.000 0.000 0.241 291 P C 0.609 177.962 177.300 0.089 0.000 1.191 291 P CA 0.675 63.856 63.100 0.135 0.000 0.771 291 P CB 0.506 32.263 31.700 0.095 0.000 0.929 292 L N -1.507 119.748 121.223 0.053 0.000 2.554 292 L HA 0.350 4.692 4.340 0.003 0.000 0.225 292 L C 1.011 177.907 176.870 0.043 0.000 1.104 292 L CA 0.488 55.352 54.840 0.040 0.000 0.866 292 L CB -0.432 41.639 42.059 0.020 0.000 1.047 292 L HN 0.082 8.312 8.230 -0.000 0.000 0.468 293 G N -1.045 107.787 108.800 0.054 0.000 2.576 293 G HA2 -0.194 3.768 3.960 0.003 0.000 0.686 293 G HA3 -0.194 3.768 3.960 0.003 0.000 0.686 293 G C 0.185 175.110 174.900 0.042 0.000 1.242 293 G CA -0.222 44.909 45.100 0.051 0.000 0.819 293 G HN 0.048 8.338 8.290 -0.000 0.000 0.655 294 N N -0.800 117.926 118.700 0.043 0.000 2.520 294 N HA 0.511 5.253 4.740 0.003 0.000 0.185 294 N C 1.238 176.763 175.510 0.025 0.000 1.068 294 N CA 2.290 55.362 53.050 0.036 0.000 0.911 294 N CB 0.191 38.702 38.487 0.040 0.000 0.961 294 N HN 2.220 10.600 8.380 -0.000 0.000 0.446 295 A N -1.581 121.253 122.820 0.024 0.000 2.292 295 A HA 0.774 5.096 4.320 0.003 0.000 0.319 295 A C -0.195 177.398 177.584 0.015 0.000 1.206 295 A CA -0.150 51.898 52.037 0.018 0.000 0.835 295 A CB -0.099 18.912 19.000 0.018 0.000 1.164 295 A HN 1.148 9.298 8.150 -0.000 0.000 0.505 306 T N 0.833 115.395 114.554 0.013 0.000 2.594 306 T HA -0.290 4.062 4.350 0.003 0.000 0.266 306 T C 1.262 175.978 174.700 0.028 0.000 1.070 306 T CA 2.074 64.186 62.100 0.020 0.000 1.166 306 T CB 0.038 68.917 68.868 0.018 0.000 0.862 306 T HN 0.443 8.683 8.240 -0.000 0.000 0.436 307 K N 0.352 120.766 120.400 0.023 0.000 2.147 307 K HA -0.126 4.196 4.320 0.003 0.000 0.205 307 K C 2.445 179.078 176.600 0.054 0.000 1.049 307 K CA 1.272 57.580 56.287 0.034 0.000 0.936 307 K CB -0.113 32.397 32.500 0.017 0.000 0.722 307 K HN 0.273 8.523 8.250 -0.000 0.000 0.446 308 E N 1.311 121.530 120.200 0.031 0.000 2.107 308 E HA -0.071 4.281 4.350 0.003 0.000 0.191 308 E C 1.646 178.299 176.600 0.089 0.000 0.982 308 E CA 0.868 57.294 56.400 0.044 0.000 0.809 308 E CB -0.045 29.653 29.700 -0.002 0.000 0.756 308 E HN 0.229 8.589 8.360 -0.000 0.000 0.459 309 I N 0.197 120.799 120.570 0.054 0.000 2.226 309 I HA -0.247 3.925 4.170 0.003 0.000 0.245 309 I C 2.319 178.459 176.117 0.038 0.000 1.100 309 I CA 0.788 62.113 61.300 0.041 0.000 1.374 309 I CB -0.223 37.794 38.000 0.029 0.000 1.057 309 I HN 0.207 8.417 8.210 -0.000 0.000 0.413 310 L N -0.316 120.938 121.223 0.053 0.000 2.056 310 L HA -0.264 4.078 4.340 0.003 0.000 0.207 310 L C 2.742 179.632 176.870 0.033 0.000 1.078 310 L CA 1.789 56.654 54.840 0.042 0.000 0.749 310 L CB -0.644 41.451 42.059 0.060 0.000 0.901 310 L HN 0.300 8.530 8.230 -0.000 0.000 0.433 311 Y N 0.676 120.952 120.300 -0.040 0.000 2.165 311 Y HA -0.276 4.276 4.550 0.003 0.000 0.286 311 Y C 2.375 178.227 175.900 -0.080 0.000 1.155 311 Y CA 1.635 59.702 58.100 -0.055 0.000 1.164 311 Y CB -0.236 38.197 38.460 -0.046 0.000 0.978 311 Y HN 0.046 8.326 8.280 -0.000 0.000 0.513 312 L N -0.041 121.213 121.223 0.052 0.000 2.093 312 L HA -0.198 4.144 4.340 0.003 0.000 0.208 312 L C 2.463 179.206 176.870 -0.212 0.000 1.085 312 L CA 1.552 56.362 54.840 -0.050 0.000 0.755 312 L CB -0.491 41.597 42.059 0.048 0.000 0.904 312 L HN 0.153 8.383 8.230 -0.000 0.000 0.435 313 K N -0.205 120.044 120.400 -0.251 0.000 2.025 313 K HA -0.195 4.127 4.320 0.003 0.000 0.207 313 K C 2.433 178.524 176.600 -0.848 0.000 1.049 313 K CA 1.415 57.385 56.287 -0.528 0.000 0.933 313 K CB -0.166 32.098 32.500 -0.393 0.000 0.714 313 K HN -0.030 8.220 8.250 -0.000 0.000 0.438 314 K N 1.322 121.455 120.400 -0.445 0.000 2.063 314 K HA -0.136 4.186 4.320 0.003 0.000 0.208 314 K C 2.111 178.614 176.600 -0.162 0.000 1.048 314 K CA 1.242 57.417 56.287 -0.188 0.000 0.928 314 K CB -0.646 31.796 32.500 -0.096 0.000 0.713 314 K HN 0.217 8.467 8.250 -0.000 0.000 0.442 315 L N 0.790 121.778 121.223 -0.392 0.000 2.046 315 L HA 0.105 4.447 4.340 0.003 0.000 0.208 315 L C 2.331 179.109 176.870 -0.154 0.000 1.077 315 L CA 1.895 56.497 54.840 -0.397 0.000 0.747 315 L CB -0.672 41.098 42.059 -0.482 0.000 0.896 315 L HN 0.438 8.668 8.230 -0.000 0.000 0.432 316 L N -1.817 119.318 121.223 -0.148 0.000 2.042 316 L HA -0.269 4.073 4.340 0.003 0.000 0.210 316 L C 2.447 179.361 176.870 0.075 0.000 1.076 316 L CA 1.415 56.245 54.840 -0.017 0.000 0.749 316 L CB -0.433 41.541 42.059 -0.142 0.000 0.893 316 L HN 0.257 8.487 8.230 -0.000 0.000 0.432 317 Y N -0.196 120.135 120.300 0.051 0.000 2.165 317 Y HA -0.276 4.276 4.550 0.004 0.000 0.286 317 Y C 2.630 178.495 175.900 -0.059 0.000 1.155 317 Y CA 1.552 59.660 58.100 0.013 0.000 1.164 317 Y CB -1.323 37.135 38.460 -0.003 0.000 0.978 317 Y HN 0.360 8.640 8.280 -0.000 0.000 0.513 318 H N -2.144 116.899 119.070 -0.045 0.000 2.353 318 H HA -0.150 4.408 4.556 0.004 0.000 0.300 318 H C 2.028 177.177 175.328 -0.298 0.000 1.090 318 H CA 2.041 57.964 56.048 -0.210 0.000 1.327 318 H CB -0.792 28.753 29.762 -0.362 0.000 1.383 318 H HN 0.374 8.654 8.280 -0.000 0.000 0.508 319 Y N -0.718 119.522 120.300 -0.099 0.000 2.200 319 Y HA -0.183 4.369 4.550 0.003 0.000 0.290 319 Y C 2.405 177.990 175.900 -0.525 0.000 1.137 319 Y CA 0.467 58.326 58.100 -0.402 0.000 1.163 319 Y CB -0.147 38.144 38.460 -0.281 0.000 0.988 319 Y HN 0.143 8.423 8.280 -0.000 0.000 0.518 320 L N -0.647 120.594 121.223 0.030 0.000 2.083 320 L HA -0.203 4.139 4.340 0.003 0.000 0.209 320 L C 2.608 179.511 176.870 0.055 0.000 1.083 320 L CA 1.799 56.724 54.840 0.140 0.000 0.752 320 L CB -0.975 41.215 42.059 0.219 0.000 0.899 320 L HN 0.154 8.384 8.230 -0.000 0.000 0.433 321 S N -1.078 114.603 115.700 -0.031 0.000 2.359 321 S HA -0.212 4.259 4.470 0.003 0.000 0.224 321 S C 2.243 176.793 174.600 -0.085 0.000 1.035 321 S CA 1.829 59.983 58.200 -0.077 0.000 1.018 321 S CB -0.562 62.545 63.200 -0.154 0.000 0.876 321 S HN 0.769 9.079 8.310 -0.000 0.000 0.448 322 S N -0.256 115.345 115.700 -0.165 0.000 2.453 322 S HA 0.082 4.554 4.470 0.003 0.000 0.231 322 S C 1.564 176.174 174.600 0.017 0.000 1.005 322 S CA 0.627 58.746 58.200 -0.134 0.000 0.949 322 S CB -0.833 62.236 63.200 -0.217 0.000 0.774 322 S HN 0.685 8.995 8.310 -0.000 0.000 0.510 323 F N 2.128 122.119 119.950 0.068 0.000 2.619 323 F HA 0.099 4.628 4.527 0.003 0.000 0.293 323 F C 2.675 178.497 175.800 0.038 0.000 1.119 323 F CA 0.589 58.625 58.000 0.060 0.000 1.445 323 F CB 0.147 39.191 39.000 0.073 0.000 1.119 323 F HN 0.437 8.737 8.300 -0.000 0.000 0.573 324 T N -4.959 109.709 114.554 0.190 0.000 2.985 324 T HA 0.153 4.505 4.350 0.003 0.000 0.254 324 T C 0.743 175.434 174.700 -0.015 0.000 1.021 324 T CA 0.039 62.189 62.100 0.083 0.000 0.957 324 T CB 0.060 68.969 68.868 0.068 0.000 1.047 324 T HN 0.133 8.373 8.240 -0.000 0.000 0.511 325 N N 0.541 119.232 118.700 -0.016 0.000 2.965 325 N HA -0.123 4.619 4.740 0.003 0.000 0.232 325 N C -0.519 174.927 175.510 -0.106 0.000 0.913 325 N CA 0.916 53.935 53.050 -0.051 0.000 0.981 325 N CB -0.943 37.520 38.487 -0.039 0.000 1.077 325 N HN 0.506 8.886 8.380 -0.000 0.000 0.589 326 Q N 0.963 120.669 119.800 -0.157 0.000 2.368 326 Q HA 0.249 4.591 4.340 0.003 0.000 0.237 326 Q C 1.080 176.989 176.000 -0.152 0.000 0.987 326 Q CA 0.265 55.937 55.803 -0.219 0.000 0.896 326 Q CB 0.586 29.096 28.738 -0.380 0.000 1.241 326 Q HN 0.422 8.692 8.270 -0.000 0.000 0.485 327 T N -3.119 111.349 114.554 -0.144 0.000 2.849 327 T HA 0.236 4.588 4.350 0.003 0.000 0.284 327 T C 1.377 175.989 174.700 -0.146 0.000 1.004 327 T CA -0.760 61.261 62.100 -0.133 0.000 1.021 327 T CB 0.583 69.384 68.868 -0.112 0.000 1.013 327 T HN 0.241 8.481 8.240 -0.000 0.000 0.527 328 V N 1.595 121.398 119.914 -0.184 0.000 2.515 328 V HA -0.097 4.025 4.120 0.003 0.000 0.250 328 V C 2.661 178.648 176.094 -0.178 0.000 1.058 328 V CA 1.886 64.058 62.300 -0.213 0.000 1.064 328 V CB -1.086 30.528 31.823 -0.348 0.000 0.675 328 V HN 0.855 9.045 8.190 -0.000 0.000 0.461 329 E N 0.290 120.407 120.200 -0.139 0.000 2.051 329 E HA -0.167 4.185 4.350 0.003 0.000 0.192 329 E C 2.312 178.838 176.600 -0.122 0.000 0.991 329 E CA 1.929 58.260 56.400 -0.116 0.000 0.799 329 E CB -0.845 28.805 29.700 -0.084 0.000 0.748 329 E HN 0.573 8.933 8.360 -0.000 0.000 0.449 330 T N 1.497 115.989 114.554 -0.104 0.000 2.652 330 T HA -0.134 4.218 4.350 0.003 0.000 0.267 330 T C 1.794 176.467 174.700 -0.045 0.000 1.039 330 T CA 1.174 63.233 62.100 -0.069 0.000 1.153 330 T CB -0.222 68.603 68.868 -0.072 0.000 0.863 330 T HN 0.025 8.265 8.240 -0.000 0.000 0.428 331 I N 1.413 121.944 120.570 -0.065 0.000 2.118 331 I HA -0.198 3.974 4.170 0.003 0.000 0.241 331 I C 2.609 178.533 176.117 -0.321 0.000 1.070 331 I CA 1.663 62.924 61.300 -0.064 0.000 1.327 331 I CB -1.283 36.671 38.000 -0.076 0.000 1.034 331 I HN 0.416 8.626 8.210 -0.000 0.000 0.405 332 E N 1.263 121.131 120.200 -0.553 0.000 2.058 332 E HA -0.265 4.087 4.350 0.003 0.000 0.194 332 E C 2.423 178.842 176.600 -0.302 0.000 0.997 332 E CA 2.440 58.406 56.400 -0.723 0.000 0.801 332 E CB -0.001 29.397 29.700 -0.504 0.000 0.746 332 E HN 0.471 8.831 8.360 -0.000 0.000 0.450 333 K N 1.047 121.342 120.400 -0.175 0.000 2.032 333 K HA -0.203 4.119 4.320 0.003 0.000 0.209 333 K C 1.784 178.347 176.600 -0.062 0.000 1.048 333 K CA 1.945 58.176 56.287 -0.095 0.000 0.927 333 K CB -1.079 31.374 32.500 -0.077 0.000 0.712 333 K HN 0.252 8.502 8.250 -0.000 0.000 0.441 334 D N -0.181 120.197 120.400 -0.038 0.000 2.218 334 D HA -0.095 4.547 4.640 0.003 0.000 0.204 334 D C 2.115 178.466 176.300 0.086 0.000 0.976 334 D CA 1.616 55.638 54.000 0.037 0.000 0.853 334 D CB -0.061 40.825 40.800 0.143 0.000 0.939 334 D HN 0.453 8.823 8.370 -0.000 0.000 0.481 335 S N 0.331 116.043 115.700 0.019 0.000 2.371 335 S HA -0.115 4.357 4.470 0.003 0.000 0.224 335 S C 1.438 176.094 174.600 0.093 0.000 1.029 335 S CA 0.857 59.113 58.200 0.094 0.000 0.978 335 S CB 0.056 63.302 63.200 0.077 0.000 0.833 335 S HN 0.047 8.357 8.310 -0.000 0.000 0.466 336 D N 1.573 121.990 120.400 0.028 0.000 2.178 336 D HA -0.103 4.539 4.640 0.003 0.000 0.201 336 D C 1.915 178.222 176.300 0.010 0.000 0.980 336 D CA 0.952 54.968 54.000 0.027 0.000 0.842 336 D CB -0.287 40.516 40.800 0.005 0.000 0.948 336 D HN 0.666 9.036 8.370 -0.000 0.000 0.472 337 R N 0.662 121.168 120.500 0.011 0.000 2.356 337 R HA 0.047 4.389 4.340 0.003 0.000 0.234 337 R C -0.555 175.754 176.300 0.015 0.000 0.929 337 R CA -0.032 56.072 56.100 0.007 0.000 1.084 337 R CB -0.141 30.159 30.300 -0.001 0.000 1.105 337 R HN -0.275 7.995 8.270 -0.000 0.000 0.515 338 D N 0.923 121.298 120.400 -0.042 0.000 2.697 338 D HA -0.242 4.400 4.640 0.003 0.000 0.238 338 D C -1.269 175.125 176.300 0.157 0.000 1.152 338 D CA 0.896 54.744 54.000 -0.254 0.000 0.666 338 D CB -1.419 39.176 40.800 -0.341 0.000 1.037 338 D HN 0.416 8.786 8.370 -0.000 0.000 0.423 339 Y N 1.072 121.432 120.300 0.099 0.000 2.480 339 Y HA 0.318 4.870 4.550 0.003 0.000 0.341 339 Y C -0.642 175.336 175.900 0.129 0.000 1.031 339 Y CA -0.620 57.549 58.100 0.115 0.000 1.295 339 Y CB 0.052 38.522 38.460 0.016 0.000 1.162 339 Y HN 0.044 8.324 8.280 -0.000 0.000 0.523 340 Y N 6.723 126.949 120.300 -0.122 0.000 2.328 340 Y HA 0.429 4.981 4.550 0.003 0.000 0.337 340 Y C 0.018 175.619 175.900 -0.499 0.000 1.008 340 Y CA -0.554 57.410 58.100 -0.225 0.000 1.129 340 Y CB 0.996 39.440 38.460 -0.028 0.000 1.185 340 Y HN 0.529 8.809 8.280 -0.000 0.000 0.476 341 M N 3.297 122.650 119.600 -0.411 0.000 2.578 341 M HA 0.361 4.843 4.480 0.003 0.000 0.321 341 M C -0.441 175.811 176.300 -0.081 0.000 1.182 341 M CA -1.013 54.072 55.300 -0.358 0.000 0.965 341 M CB 1.682 34.002 32.600 -0.466 0.000 1.694 341 M HN 0.705 8.995 8.290 -0.000 0.000 0.461 342 N N 0.837 119.545 118.700 0.014 0.000 2.447 342 N HA 0.540 5.281 4.740 0.003 0.000 0.271 342 N C 0.529 176.096 175.510 0.095 0.000 1.226 342 N CA -0.398 52.727 53.050 0.125 0.000 0.980 342 N CB 0.338 38.974 38.487 0.248 0.000 1.206 342 N HN 0.691 9.071 8.380 -0.000 0.000 0.558 343 A N -0.222 122.716 122.820 0.198 0.000 1.892 343 A HA -0.187 4.135 4.320 0.003 0.000 0.218 343 A C 1.899 179.447 177.584 -0.060 0.000 1.188 343 A CA 1.705 53.813 52.037 0.119 0.000 0.631 343 A CB -1.109 18.038 19.000 0.246 0.000 0.822 343 A HN 0.666 8.816 8.150 -0.000 0.000 0.447 344 L N 0.050 121.076 121.223 -0.328 0.000 2.083 344 L HA -0.128 4.214 4.340 0.003 0.000 0.209 344 L C 2.156 178.907 176.870 -0.199 0.000 1.083 344 L CA 2.376 56.923 54.840 -0.488 0.000 0.752 344 L CB -0.670 40.762 42.059 -1.045 0.000 0.899 344 L HN 0.541 8.771 8.230 -0.000 0.000 0.433 345 E N -0.553 119.585 120.200 -0.104 0.000 2.150 345 E HA -0.157 4.195 4.350 0.003 0.000 0.193 345 E C 2.159 178.781 176.600 0.035 0.000 0.985 345 E CA 0.957 57.358 56.400 0.001 0.000 0.814 345 E CB -0.268 29.447 29.700 0.025 0.000 0.752 345 E HN 0.639 8.999 8.360 -0.000 0.000 0.466 346 A N 1.805 124.617 122.820 -0.014 0.000 1.969 346 A HA -0.211 4.111 4.320 0.003 0.000 0.218 346 A C 2.072 179.701 177.584 0.074 0.000 1.169 346 A CA 1.486 53.531 52.037 0.013 0.000 0.635 346 A CB -0.310 18.675 19.000 -0.025 0.000 0.810 346 A HN 0.070 8.220 8.150 -0.000 0.000 0.445 347 K N -0.306 120.108 120.400 0.022 0.000 2.062 347 K HA -0.154 4.168 4.320 0.003 0.000 0.205 347 K C 2.084 178.708 176.600 0.040 0.000 1.051 347 K CA 1.470 57.768 56.287 0.018 0.000 0.941 347 K CB -0.208 32.273 32.500 -0.032 0.000 0.719 347 K HN 0.618 8.868 8.250 -0.000 0.000 0.440 348 Q N -0.886 118.939 119.800 0.042 0.000 2.224 348 Q HA -0.182 4.160 4.340 0.003 0.000 0.203 348 Q C 1.708 177.768 176.000 0.100 0.000 0.970 348 Q CA 1.275 57.109 55.803 0.052 0.000 0.865 348 Q CB -0.116 28.650 28.738 0.047 0.000 0.922 348 Q HN 0.375 8.645 8.270 -0.000 0.000 0.445 349 Y N 0.101 120.413 120.300 0.020 0.000 2.314 349 Y HA -0.027 4.525 4.550 0.003 0.000 0.293 349 Y C 1.473 177.392 175.900 0.033 0.000 1.129 349 Y CA 1.606 59.731 58.100 0.041 0.000 1.201 349 Y CB 0.303 38.797 38.460 0.058 0.000 0.999 349 Y HN 0.214 8.494 8.280 -0.000 0.000 0.541 350 G N -0.803 108.081 108.800 0.140 0.000 2.154 350 G HA2 -0.242 3.720 3.960 0.003 0.000 0.186 350 G HA3 -0.242 3.720 3.960 0.003 0.000 0.186 350 G C 0.914 175.890 174.900 0.126 0.000 1.000 350 G CA 0.265 45.414 45.100 0.082 0.000 0.664 350 G HN 0.402 8.692 8.290 -0.000 0.000 0.513 351 I N 0.621 121.291 120.570 0.168 0.000 2.333 351 I HA 0.210 4.382 4.170 0.003 0.000 0.246 351 I C 1.619 177.771 176.117 0.057 0.000 1.106 351 I CA 1.432 62.809 61.300 0.128 0.000 1.411 351 I CB -0.071 37.996 38.000 0.112 0.000 1.082 351 I HN 0.500 8.710 8.210 -0.000 0.000 0.420 352 I N -3.713 116.884 120.570 0.045 0.000 3.002 352 I HA 0.385 4.557 4.170 0.003 0.000 0.310 352 I C -0.180 175.947 176.117 0.017 0.000 1.087 352 I CA -0.748 60.564 61.300 0.019 0.000 1.017 352 I CB 1.863 39.872 38.000 0.016 0.000 1.226 352 I HN -0.180 8.030 8.210 -0.000 0.000 0.443 353 D N 1.043 121.447 120.400 0.008 0.000 2.324 353 D HA 0.043 4.685 4.640 0.003 0.000 0.212 353 D C 0.081 176.382 176.300 0.003 0.000 0.984 353 D CA 0.952 54.955 54.000 0.005 0.000 0.885 353 D CB 0.655 41.455 40.800 0.001 0.000 0.996 353 D HN 0.795 9.165 8.370 -0.000 0.000 0.505 354 E N -0.246 119.958 120.200 0.007 0.000 2.392 354 E HA 0.418 4.770 4.350 0.003 0.000 0.279 354 E C -1.453 175.162 176.600 0.024 0.000 0.964 354 E CA -0.851 55.554 56.400 0.009 0.000 0.777 354 E CB 2.072 31.780 29.700 0.013 0.000 1.249 354 E HN -0.314 8.046 8.360 -0.000 0.000 0.449 355 V N 3.524 123.454 119.914 0.027 0.000 2.364 355 V HA 0.250 4.372 4.120 0.003 0.000 0.272 355 V C 0.422 176.568 176.094 0.086 0.000 1.036 355 V CA -0.601 61.739 62.300 0.067 0.000 0.880 355 V CB 0.563 32.428 31.823 0.071 0.000 0.991 355 V HN 0.649 8.839 8.190 -0.000 0.000 0.460 356 I N 3.729 124.357 120.570 0.096 0.000 2.741 356 I HA 0.029 4.201 4.170 0.003 0.000 0.288 356 I C 0.795 176.972 176.117 0.100 0.000 1.192 356 I CA 0.284 61.639 61.300 0.090 0.000 1.426 356 I CB 0.391 38.450 38.000 0.097 0.000 1.367 356 I HN 0.686 8.896 8.210 -0.000 0.000 0.563 357 E N 5.545 125.794 120.200 0.082 0.000 2.316 357 E HA 0.175 4.527 4.350 0.003 0.000 0.275 357 E C -0.308 176.332 176.600 0.066 0.000 1.029 357 E CA -0.106 56.342 56.400 0.081 0.000 0.871 357 E CB 0.983 30.722 29.700 0.065 0.000 1.022 357 E HN 0.590 8.950 8.360 -0.000 0.000 0.418 358 T N 2.641 117.232 114.554 0.062 0.000 2.910 358 T HA 0.329 4.681 4.350 0.003 0.000 0.287 358 T C 0.581 175.298 174.700 0.028 0.000 1.050 358 T CA -0.655 61.470 62.100 0.041 0.000 1.011 358 T CB 0.976 69.865 68.868 0.035 0.000 1.195 358 T HN 0.553 8.793 8.240 -0.000 0.000 0.540 359 K N 0.141 120.549 120.400 0.014 0.000 2.439 359 K HA 0.146 4.468 4.320 0.003 0.000 0.197 359 K C 0.109 176.707 176.600 -0.004 0.000 1.041 359 K CA 0.328 56.618 56.287 0.006 0.000 0.970 359 K CB -0.068 32.432 32.500 0.001 0.000 0.773 359 K HN 0.237 8.487 8.250 -0.000 0.000 0.479 360 L N 2.254 123.471 121.223 -0.009 0.000 2.316 360 L HA 0.322 4.664 4.340 0.003 0.000 0.280 360 L C -2.587 174.264 176.870 -0.033 0.000 1.006 360 L CA -2.477 52.344 54.840 -0.032 0.000 0.836 360 L CB 1.057 43.085 42.059 -0.051 0.000 1.221 360 L HN -0.152 8.078 8.230 -0.000 0.000 0.418 361 P HA 0.102 4.522 4.420 -0.000 0.000 0.275 361 P C -1.053 176.185 177.300 -0.104 0.000 1.228 361 P CA -0.180 62.906 63.100 -0.022 0.000 0.786 361 P CB 0.638 32.335 31.700 -0.004 0.000 0.927 362 H N 3.449 122.373 119.070 -0.243 0.000 2.620 362 H HA 0.164 4.722 4.556 0.003 0.000 0.313 362 H C -1.536 173.530 175.328 -0.437 0.000 1.075 362 H CA -1.698 54.052 56.048 -0.496 0.000 1.397 362 H CB 0.926 30.034 29.762 -1.090 0.000 1.446 362 H HN 0.185 8.465 8.280 -0.000 0.000 0.493 363 P HA -0.153 4.267 4.420 -0.000 0.000 0.221 363 P C -0.328 176.835 177.300 -0.229 0.000 1.141 363 P CA 1.317 64.107 63.100 -0.518 0.000 0.794 363 P CB 0.036 31.203 31.700 -0.887 0.000 0.764 364 Y N -3.755 116.717 120.300 0.286 0.000 2.682 364 Y HA 0.366 4.917 4.550 0.003 0.000 0.251 364 Y C 0.724 176.911 175.900 0.477 0.000 1.172 364 Y CA -1.258 57.023 58.100 0.301 0.000 1.186 364 Y CB -0.616 38.021 38.460 0.295 0.000 1.216 364 Y HN -0.097 8.183 8.280 -0.000 0.000 0.540 365 F N 0.000 120.080 119.950 0.216 0.000 2.286 365 F HA 0.000 4.529 4.527 0.003 0.000 0.279 365 F CA 0.000 58.061 58.000 0.102 0.000 1.383 365 F CB 0.000 39.031 39.000 0.052 0.000 1.145 365 F HN 0.000 8.300 8.300 -0.000 0.000 0.574