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 2jvn_1_A DATA FIRST_RESID 233 DATA SEQUENCE KLEKALKAQN DLIWNIKDEL KKVCSTNDLK ELLIFNKQQV PSGESAILDR DATA SEQUENCE VADGMVFGAL LPCEECSGQL VFKSDAYYCT GDVTAWTKCM VKTQTPNRKE DATA SEQUENCE WVTPKEFREI SYLKKLKVKK QDRIFP 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 233 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 233 K C 0.000 176.598 176.600 -0.003 0.000 0.988 233 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 233 K CB 0.000 32.499 32.500 -0.002 0.000 1.064 234 L N 1.541 122.762 121.223 -0.003 0.000 2.141 234 L HA -0.312 4.026 4.340 -0.003 0.000 0.209 234 L C 1.439 178.308 176.870 -0.003 0.000 1.094 234 L CA 2.874 57.712 54.840 -0.003 0.000 0.763 234 L CB -0.137 41.919 42.059 -0.004 0.000 0.908 234 L HN 0.003 8.231 8.230 -0.003 0.000 0.437 235 E N -0.445 119.753 120.200 -0.004 0.000 2.047 235 E HA -0.271 4.077 4.350 -0.004 0.000 0.191 235 E C 2.060 178.658 176.600 -0.003 0.000 0.987 235 E CA 3.264 59.662 56.400 -0.004 0.000 0.799 235 E CB -0.605 29.092 29.700 -0.005 0.000 0.752 235 E HN 0.191 8.531 8.360 -0.004 0.018 0.449 236 K N -1.161 119.237 120.400 -0.003 0.000 2.103 236 K HA -0.277 4.041 4.320 -0.004 0.000 0.207 236 K C 1.949 178.550 176.600 0.000 0.000 1.048 236 K CA 2.463 58.748 56.287 -0.002 0.000 0.930 236 K CB -0.689 31.810 32.500 -0.002 0.000 0.716 236 K HN -0.069 8.179 8.250 -0.003 0.000 0.444 237 A N -0.332 122.488 122.820 0.001 0.000 1.877 237 A HA -0.232 4.091 4.320 0.005 0.000 0.216 237 A C 2.160 179.747 177.584 0.005 0.000 1.186 237 A CA 3.066 55.105 52.037 0.003 0.000 0.620 237 A CB -0.780 18.221 19.000 0.001 0.000 0.822 237 A HN -0.484 7.573 8.150 -0.001 0.093 0.443 238 L N -2.211 119.014 121.223 0.003 0.000 2.042 238 L HA -0.358 3.986 4.340 0.006 0.000 0.210 238 L C 2.391 179.266 176.870 0.009 0.000 1.076 238 L CA 3.022 57.864 54.840 0.005 0.000 0.749 238 L CB -1.088 40.972 42.059 0.001 0.000 0.893 238 L HN -0.377 7.853 8.230 0.000 0.000 0.432 239 K N -1.844 118.558 120.400 0.004 0.000 2.211 239 K HA -0.424 3.897 4.320 0.001 0.000 0.203 239 K C 2.207 178.813 176.600 0.010 0.000 1.050 239 K CA 3.315 59.603 56.287 0.002 0.000 0.945 239 K CB -0.209 32.286 32.500 -0.008 0.000 0.732 239 K HN -0.313 7.938 8.250 0.001 0.000 0.451 240 A N -0.790 122.038 122.820 0.014 0.000 1.929 240 A HA -0.151 4.182 4.320 0.021 0.000 0.216 240 A C 1.857 179.462 177.584 0.036 0.000 1.176 240 A CA 2.958 55.009 52.037 0.022 0.000 0.628 240 A CB -0.827 18.184 19.000 0.018 0.000 0.816 240 A HN -0.381 7.641 8.150 0.010 0.134 0.444 241 Q N -0.822 118.998 119.800 0.034 0.000 2.123 241 Q HA -0.300 4.071 4.340 0.051 0.000 0.199 241 Q C 2.234 178.274 176.000 0.067 0.000 0.966 241 Q CA 3.152 58.983 55.803 0.046 0.000 0.845 241 Q CB 0.014 28.771 28.738 0.033 0.000 0.907 241 Q HN -0.330 7.955 8.270 0.025 0.000 0.439 242 N N 0.239 118.975 118.700 0.060 0.000 2.142 242 N HA -0.262 4.538 4.740 0.099 0.000 0.186 242 N C 1.913 177.494 175.510 0.118 0.000 1.023 242 N CA 3.305 56.404 53.050 0.083 0.000 0.852 242 N CB -0.150 38.367 38.487 0.051 0.000 0.998 242 N HN -0.390 8.015 8.380 0.042 0.000 0.424 243 D N -0.215 120.235 120.400 0.084 0.000 2.219 243 D HA -0.160 4.547 4.640 0.113 0.000 0.205 243 D C 2.205 178.596 176.300 0.151 0.000 0.970 243 D CA 3.031 57.091 54.000 0.100 0.000 0.851 243 D CB -0.008 40.817 40.800 0.041 0.000 0.943 243 D HN -0.547 7.856 8.370 0.054 0.000 0.488 244 L N -0.603 120.692 121.223 0.119 0.000 2.109 244 L HA -0.244 4.161 4.340 0.110 0.000 0.207 244 L C 1.980 178.933 176.870 0.139 0.000 1.086 244 L CA 3.179 58.087 54.840 0.114 0.000 0.760 244 L CB 0.106 42.215 42.059 0.084 0.000 0.910 244 L HN -0.598 7.669 8.230 0.097 0.021 0.437 245 I N -0.111 120.550 120.570 0.153 0.000 2.226 245 I HA -0.431 3.819 4.170 0.133 0.000 0.245 245 I C 1.852 178.077 176.117 0.181 0.000 1.100 245 I CA 3.925 65.319 61.300 0.158 0.000 1.374 245 I CB -0.390 37.705 38.000 0.159 0.000 1.057 245 I HN -0.492 7.803 8.210 0.143 0.000 0.413 246 W N -0.198 121.132 121.300 0.050 0.000 2.388 246 W HA -0.465 4.227 4.660 0.053 0.000 0.294 246 W C 1.654 178.195 176.519 0.038 0.000 1.212 246 W CA 4.702 62.073 57.345 0.045 0.000 1.271 246 W CB 0.116 29.596 29.460 0.033 0.000 1.126 246 W HN -0.248 8.151 8.180 0.365 0.000 0.535 247 N N -0.424 118.473 118.700 0.327 0.000 2.244 247 N HA -0.301 4.596 4.740 0.262 0.000 0.183 247 N C 2.281 177.808 175.510 0.028 0.000 1.016 247 N CA 3.427 56.594 53.050 0.195 0.000 0.866 247 N CB -0.353 38.236 38.487 0.170 0.000 0.980 247 N HN -0.546 8.038 8.380 0.341 0.000 0.430 248 I N -0.111 120.484 120.570 0.041 0.000 2.202 248 I HA -0.469 3.718 4.170 0.029 0.000 0.242 248 I C 0.994 177.102 176.117 -0.015 0.000 1.091 248 I CA 4.360 65.680 61.300 0.034 0.000 1.368 248 I CB -0.103 37.949 38.000 0.086 0.000 1.058 248 I HN -0.286 7.962 8.210 0.091 0.017 0.410 249 K N -0.971 119.376 120.400 -0.088 0.000 2.103 249 K HA -0.340 3.966 4.320 -0.024 0.000 0.207 249 K C 2.015 178.473 176.600 -0.237 0.000 1.048 249 K CA 3.122 59.320 56.287 -0.149 0.000 0.930 249 K CB -0.772 31.576 32.500 -0.253 0.000 0.716 249 K HN -0.503 7.699 8.250 -0.080 0.000 0.444 250 D N -0.387 119.797 120.400 -0.361 0.000 2.097 250 D HA -0.236 4.190 4.640 -0.356 0.000 0.197 250 D C 2.024 178.225 176.300 -0.166 0.000 0.984 250 D CA 3.447 57.253 54.000 -0.324 0.000 0.826 250 D CB 0.084 40.680 40.800 -0.339 0.000 0.973 250 D HN -0.495 7.621 8.370 -0.402 0.013 0.460 251 E N -0.769 119.360 120.200 -0.118 0.000 2.038 251 E HA -0.370 3.922 4.350 -0.095 0.000 0.195 251 E C 2.720 179.263 176.600 -0.094 0.000 1.000 251 E CA 3.199 59.544 56.400 -0.091 0.000 0.803 251 E CB 0.140 29.789 29.700 -0.085 0.000 0.750 251 E HN -0.592 7.700 8.360 -0.113 0.000 0.448 252 L N -4.619 116.561 121.223 -0.071 0.000 2.079 252 L HA -0.297 3.900 4.340 -0.240 0.000 0.210 252 L C 1.756 178.469 176.870 -0.263 0.000 1.081 252 L CA 3.486 58.223 54.840 -0.171 0.000 0.752 252 L CB -1.229 40.865 42.059 0.059 0.000 0.896 252 L HN -0.216 7.998 8.230 -0.026 0.000 0.433 253 K N -0.236 120.071 120.400 -0.156 0.000 2.063 253 K HA -0.336 4.086 4.320 -0.127 -0.179 0.208 253 K C 2.262 178.777 176.600 -0.141 0.000 1.048 253 K CA 2.940 59.145 56.287 -0.138 0.000 0.928 253 K CB -0.471 31.955 32.500 -0.123 0.000 0.713 253 K HN -0.381 7.693 8.250 -0.127 0.099 0.442 254 K N -3.550 116.772 120.400 -0.130 0.000 2.097 254 K HA -0.233 4.035 4.320 -0.086 0.000 0.206 254 K C 1.997 178.521 176.600 -0.126 0.000 1.049 254 K CA 2.758 58.982 56.287 -0.105 0.000 0.933 254 K CB -0.065 32.385 32.500 -0.083 0.000 0.717 254 K HN -0.510 7.559 8.250 -0.129 0.104 0.442 255 V N -4.038 115.766 119.914 -0.183 0.000 2.951 255 V HA -0.125 3.908 4.120 -0.144 0.000 0.255 255 V C 0.378 176.293 176.094 -0.297 0.000 1.088 255 V CA 0.346 62.516 62.300 -0.217 0.000 1.109 255 V CB -0.259 31.420 31.823 -0.239 0.000 0.724 255 V HN -0.576 7.388 8.190 -0.198 0.106 0.471 256 C N -0.862 118.218 119.300 -0.368 0.000 2.535 256 C HA -0.004 4.473 4.460 -0.215 -0.146 0.319 256 C C -2.118 172.774 174.990 -0.162 0.000 1.171 256 C CA -0.331 58.495 59.018 -0.319 0.000 1.394 256 C CB 3.375 30.744 27.740 -0.618 0.000 1.990 256 C HN 0.544 8.327 8.230 -0.348 0.238 0.466 257 S N 3.954 119.604 115.700 -0.083 0.000 2.718 257 S HA 0.486 4.926 4.470 -0.051 0.000 0.292 257 S C 0.824 175.420 174.600 -0.007 0.000 1.125 257 S CA -0.807 57.367 58.200 -0.043 0.000 1.013 257 S CB 1.667 64.846 63.200 -0.034 0.000 1.192 257 S HN 0.596 9.228 8.310 -0.073 -0.366 0.535 258 T N 4.566 119.119 114.554 -0.001 0.000 2.685 258 T HA -0.352 4.231 4.350 0.019 -0.221 0.268 258 T C 2.207 176.919 174.700 0.019 0.000 1.034 258 T CA 4.710 66.817 62.100 0.012 0.000 1.149 258 T CB -0.223 68.649 68.868 0.007 0.000 0.860 258 T HN 0.355 8.589 8.240 -0.009 0.000 0.449 259 N N -0.003 118.705 118.700 0.013 0.000 2.135 259 N HA -0.178 4.573 4.740 0.019 0.000 0.186 259 N C 1.353 176.883 175.510 0.032 0.000 1.027 259 N CA 3.258 56.318 53.050 0.017 0.000 0.849 259 N CB -0.306 38.187 38.487 0.009 0.000 1.002 259 N HN 0.030 8.403 8.380 0.004 0.009 0.425 260 D N 0.245 120.662 120.400 0.029 0.000 2.183 260 D HA -0.207 4.471 4.640 0.062 0.000 0.203 260 D C 2.179 178.558 176.300 0.132 0.000 0.969 260 D CA 2.837 56.870 54.000 0.055 0.000 0.842 260 D CB -0.320 40.479 40.800 -0.002 0.000 0.957 260 D HN -0.288 8.018 8.370 0.009 0.070 0.484 261 L N 0.242 121.538 121.223 0.121 0.000 2.012 261 L HA -0.405 4.168 4.340 0.389 0.000 0.210 261 L C 1.953 178.893 176.870 0.115 0.000 1.073 261 L CA 3.903 58.859 54.840 0.193 0.000 0.748 261 L CB -0.275 41.858 42.059 0.123 0.000 0.891 261 L HN 0.922 9.041 8.230 0.065 0.150 0.431 262 K N -2.077 118.362 120.400 0.064 0.000 2.147 262 K HA -0.351 3.974 4.320 0.008 0.000 0.205 262 K C 2.452 179.070 176.600 0.029 0.000 1.049 262 K CA 3.265 59.568 56.287 0.028 0.000 0.936 262 K CB -0.551 31.961 32.500 0.021 0.000 0.722 262 K HN -0.487 7.798 8.250 0.059 0.000 0.446 263 E N -0.130 120.112 120.200 0.069 0.000 2.077 263 E HA -0.339 4.055 4.350 0.072 0.000 0.193 263 E C 2.251 178.938 176.600 0.144 0.000 0.989 263 E CA 3.014 59.472 56.400 0.096 0.000 0.800 263 E CB 0.017 29.782 29.700 0.109 0.000 0.746 263 E HN -0.651 7.627 8.360 0.081 0.131 0.452 264 L N 0.274 121.591 121.223 0.155 0.000 1.994 264 L HA -0.281 4.453 4.340 0.658 0.000 0.208 264 L C 1.781 178.361 176.870 -0.483 0.000 1.071 264 L CA 3.572 58.488 54.840 0.126 0.000 0.745 264 L CB 0.009 42.068 42.059 -0.000 0.000 0.892 264 L HN -0.442 7.891 8.230 0.171 0.000 0.431 265 L N -2.010 119.018 121.223 -0.325 0.000 2.131 265 L HA -0.297 3.724 4.340 -0.531 0.000 0.210 265 L C 2.535 179.199 176.870 -0.343 0.000 1.092 265 L CA 2.821 57.438 54.840 -0.372 0.000 0.759 265 L CB -1.293 40.661 42.059 -0.176 0.000 0.903 265 L HN -0.496 7.641 8.230 -0.155 0.000 0.435 266 I N 0.709 121.159 120.570 -0.200 0.000 2.353 266 I HA -0.352 3.757 4.170 -0.101 0.000 0.248 266 I C 1.907 177.974 176.117 -0.082 0.000 1.119 266 I CA 3.624 64.862 61.300 -0.103 0.000 1.417 266 I CB -0.024 37.964 38.000 -0.019 0.000 1.078 266 I HN -0.312 7.794 8.210 -0.136 0.022 0.421 267 F N 0.301 120.234 119.950 -0.027 0.000 2.234 267 F HA -0.319 4.199 4.527 -0.016 0.000 0.299 267 F C 0.418 176.209 175.800 -0.014 0.000 1.087 267 F CA 1.890 59.874 58.000 -0.026 0.000 1.340 267 F CB -1.116 37.858 39.000 -0.044 0.000 1.031 267 F HN -0.474 7.689 8.300 -0.082 0.088 0.500 268 N N -1.632 116.563 118.700 -0.842 0.000 2.521 268 N HA -0.117 4.507 4.740 -0.193 0.000 0.188 268 N C -0.379 175.024 175.510 -0.179 0.000 1.146 268 N CA 0.746 53.496 53.050 -0.499 0.000 0.893 268 N CB 0.627 38.712 38.487 -0.670 0.000 0.975 268 N HN -0.648 6.888 8.380 -1.212 0.116 0.451 269 K N -6.445 113.876 120.400 -0.132 0.000 3.423 269 K HA -0.373 3.985 4.320 -0.044 -0.065 0.306 269 K C -1.622 174.928 176.600 -0.084 0.000 1.331 269 K CA 1.008 57.254 56.287 -0.069 0.000 0.905 269 K CB -2.505 29.973 32.500 -0.037 0.000 1.332 269 K HN 0.026 8.009 8.250 -0.146 0.179 0.473 270 Q N -1.140 118.589 119.800 -0.118 0.000 2.331 270 Q HA 0.214 4.511 4.340 -0.071 0.000 0.267 270 Q C -1.426 174.530 176.000 -0.074 0.000 1.006 270 Q CA -0.833 54.917 55.803 -0.090 0.000 0.818 270 Q CB 2.003 30.686 28.738 -0.091 0.000 1.276 270 Q HN 0.220 8.240 8.270 -0.173 0.145 0.450 271 Q N 3.926 123.697 119.800 -0.048 0.000 2.397 271 Q HA 0.189 4.508 4.340 -0.034 0.000 0.260 271 Q C -1.771 174.216 176.000 -0.023 0.000 1.002 271 Q CA -0.430 55.353 55.803 -0.033 0.000 0.716 271 Q CB 1.185 29.908 28.738 -0.025 0.000 1.258 271 Q HN 0.291 8.533 8.270 -0.045 0.000 0.477 272 V N 5.888 125.791 119.914 -0.017 0.000 2.769 272 V HA 0.597 4.712 4.120 -0.009 0.000 0.312 272 V C -1.616 174.477 176.094 -0.000 0.000 1.061 272 V CA -4.568 57.727 62.300 -0.008 0.000 0.931 272 V CB 2.678 34.499 31.823 -0.004 0.000 1.010 272 V HN -0.160 8.019 8.190 -0.019 0.000 0.433 273 P HA 0.048 4.472 4.420 0.006 0.000 0.216 273 P C 0.479 177.787 177.300 0.012 0.000 1.153 273 P CA 1.808 64.912 63.100 0.007 0.000 0.844 273 P CB 0.158 31.861 31.700 0.006 0.000 0.787 274 S N -2.350 113.358 115.700 0.014 0.000 2.906 274 S HA 0.009 4.493 4.470 0.023 0.000 0.234 274 S C 0.737 175.352 174.600 0.024 0.000 0.973 274 S CA 0.759 58.972 58.200 0.021 0.000 1.036 274 S CB -0.410 62.804 63.200 0.024 0.000 0.798 274 S HN -0.082 8.235 8.310 0.011 0.000 0.498 275 G N 0.428 109.238 108.800 0.018 0.000 2.751 275 G HA2 0.041 4.010 3.960 0.015 0.000 0.187 275 G HA3 0.041 4.181 3.960 0.008 -0.174 0.187 275 G C 0.305 175.219 174.900 0.023 0.000 1.733 275 G CA 0.167 45.276 45.100 0.016 0.000 0.898 275 G HN -0.645 7.396 8.290 0.014 0.258 0.408 276 E N 1.945 122.158 120.200 0.022 0.000 2.200 276 E HA -0.508 3.864 4.350 0.037 0.000 0.211 276 E C 2.079 178.700 176.600 0.034 0.000 1.048 276 E CA 3.576 59.995 56.400 0.030 0.000 0.851 276 E CB -0.460 29.255 29.700 0.025 0.000 0.747 276 E HN 0.312 8.681 8.360 0.016 0.000 0.462 277 S N -1.795 113.923 115.700 0.030 0.000 2.402 277 S HA -0.165 4.320 4.470 0.024 0.000 0.229 277 S C 1.589 176.213 174.600 0.040 0.000 1.021 277 S CA 3.000 61.219 58.200 0.031 0.000 0.974 277 S CB -0.261 62.959 63.200 0.033 0.000 0.800 277 S HN 0.192 8.502 8.310 0.028 0.017 0.484 278 A N 1.275 124.121 122.820 0.043 0.000 2.072 278 A HA -0.000 4.356 4.320 0.061 0.000 0.216 278 A C 1.743 179.362 177.584 0.058 0.000 1.156 278 A CA 2.389 54.459 52.037 0.054 0.000 0.701 278 A CB -0.777 18.254 19.000 0.051 0.000 0.816 278 A HN 0.891 8.895 8.150 0.037 0.168 0.458 279 I N -1.015 119.584 120.570 0.048 0.000 2.252 279 I HA -0.493 3.694 4.170 0.028 0.000 0.245 279 I C 1.730 177.897 176.117 0.083 0.000 1.102 279 I CA 3.879 65.207 61.300 0.047 0.000 1.385 279 I CB 0.110 38.138 38.000 0.046 0.000 1.064 279 I HN 0.265 8.350 8.210 0.042 0.150 0.414 280 L N -2.118 119.160 121.223 0.092 0.000 2.044 280 L HA -0.459 3.997 4.340 0.194 0.000 0.205 280 L C 1.797 178.719 176.870 0.086 0.000 1.075 280 L CA 3.817 58.720 54.840 0.106 0.000 0.747 280 L CB -0.838 41.240 42.059 0.032 0.000 0.903 280 L HN -0.402 7.869 8.230 0.068 0.000 0.435 281 D N -0.856 119.583 120.400 0.066 0.000 2.078 281 D HA -0.288 4.388 4.640 0.060 0.000 0.193 281 D C 2.357 178.725 176.300 0.114 0.000 0.990 281 D CA 3.761 57.807 54.000 0.078 0.000 0.827 281 D CB 0.217 41.064 40.800 0.078 0.000 0.975 281 D HN -0.650 7.753 8.370 0.056 0.000 0.451 282 R N -2.290 118.284 120.500 0.123 0.000 2.148 282 R HA -0.185 4.255 4.340 0.168 0.000 0.227 282 R C 2.454 178.862 176.300 0.180 0.000 1.103 282 R CA 1.909 58.101 56.100 0.154 0.000 0.983 282 R CB -0.360 30.034 30.300 0.158 0.000 0.874 282 R HN -0.394 7.940 8.270 0.107 0.000 0.451 283 V N 0.558 120.581 119.914 0.181 0.000 2.255 283 V HA -0.361 4.125 4.120 0.609 0.000 0.243 283 V C 1.290 177.572 176.094 0.314 0.000 1.038 283 V CA 2.925 65.392 62.300 0.278 0.000 1.008 283 V CB -0.712 31.077 31.823 -0.058 0.000 0.645 283 V HN -0.565 7.676 8.190 0.131 0.027 0.449 284 A N -0.729 122.211 122.820 0.200 0.000 1.958 284 A HA -0.470 3.990 4.320 0.234 0.000 0.221 284 A C 1.752 179.373 177.584 0.061 0.000 1.178 284 A CA 3.434 55.575 52.037 0.174 0.000 0.642 284 A CB -0.927 18.156 19.000 0.138 0.000 0.816 284 A HN -0.441 7.814 8.150 0.174 0.000 0.453 285 D N -1.964 118.450 120.400 0.024 0.000 2.117 285 D HA -0.288 4.395 4.640 0.073 0.000 0.197 285 D C 2.390 178.097 176.300 -0.988 0.000 0.987 285 D CA 3.406 57.356 54.000 -0.083 0.000 0.829 285 D CB -0.344 40.610 40.800 0.257 0.000 0.961 285 D HN -0.430 7.983 8.370 0.093 0.012 0.460 286 G N -1.656 106.587 108.800 -0.929 0.000 2.422 286 G HA2 -0.223 2.450 3.960 -2.146 0.000 0.218 286 G HA3 -0.223 2.409 3.960 -2.213 0.000 0.218 286 G C 0.964 174.733 174.900 -1.884 0.000 1.140 286 G CA 1.922 45.932 45.100 -1.818 0.000 0.775 286 G HN -0.149 7.832 8.290 -0.344 0.102 0.545 287 M N -0.220 118.904 119.600 -0.794 0.000 2.123 287 M HA -0.258 3.876 4.480 -0.577 0.000 0.263 287 M C 2.238 178.357 176.300 -0.302 0.000 1.069 287 M CA 3.227 58.392 55.300 -0.224 0.000 1.133 287 M CB -0.760 32.117 32.600 0.461 0.000 1.356 287 M HN -0.492 7.635 8.290 -0.232 0.024 0.415 288 V N -0.577 119.187 119.914 -0.251 0.000 2.239 288 V HA -0.336 3.755 4.120 -0.048 0.000 0.242 288 V C 2.084 178.094 176.094 -0.140 0.000 1.038 288 V CA 3.170 65.397 62.300 -0.121 0.000 1.002 288 V CB -0.056 31.763 31.823 -0.006 0.000 0.641 288 V HN -0.441 7.605 8.190 -0.239 0.000 0.449 289 F N -5.160 114.687 119.950 -0.173 0.000 2.367 289 F HA -0.026 4.416 4.527 -0.142 0.000 0.298 289 F C 0.379 176.018 175.800 -0.269 0.000 1.094 289 F CA 0.365 58.251 58.000 -0.190 0.000 1.409 289 F CB 0.649 39.551 39.000 -0.163 0.000 1.064 289 F HN -0.570 7.503 8.300 -0.378 0.000 0.528 290 G N -1.799 106.629 108.800 -0.621 0.000 4.529 290 G HA2 -0.091 3.685 3.960 -0.305 0.000 0.230 290 G HA3 -0.091 3.854 3.960 -0.024 0.000 0.230 290 G C -1.818 172.656 174.900 -0.711 0.000 3.287 290 G CA 0.076 44.929 45.100 -0.412 0.000 0.646 290 G HN -0.684 6.777 8.290 -1.204 0.107 0.205 291 A N 0.888 123.137 122.820 -0.951 0.000 2.293 291 A HA 0.446 4.191 4.320 -0.958 0.000 0.302 291 A C -1.199 176.094 177.584 -0.485 0.000 1.119 291 A CA -1.718 49.756 52.037 -0.938 0.000 0.823 291 A CB 1.841 19.899 19.000 -1.571 0.000 1.097 291 A HN -0.432 7.144 8.150 -0.956 0.000 0.491 292 L N -0.185 120.756 121.223 -0.469 0.000 2.367 292 L HA 0.949 5.326 4.340 -0.391 -0.272 0.275 292 L C -0.310 176.484 176.870 -0.127 0.000 1.129 292 L CA -0.378 54.251 54.840 -0.352 0.000 0.839 292 L CB 0.016 41.813 42.059 -0.436 0.000 1.133 292 L HN 0.201 8.027 8.230 -0.673 0.000 0.453 293 L N 0.473 121.630 121.223 -0.110 0.000 2.271 293 L HA 0.670 5.010 4.340 -0.000 0.000 0.265 293 L C -2.326 174.541 176.870 -0.006 0.000 1.013 293 L CA -4.017 50.803 54.840 -0.033 0.000 0.820 293 L CB -1.334 40.704 42.059 -0.035 0.000 1.352 293 L HN -0.100 8.030 8.230 -0.167 0.000 0.443 294 P HA -0.130 4.418 4.420 0.058 -0.093 0.269 294 P C -1.171 176.151 177.300 0.036 0.000 1.200 294 P CA 0.395 63.516 63.100 0.036 0.000 0.779 294 P CB 0.458 32.172 31.700 0.024 0.000 0.841 295 C N 2.172 121.507 119.300 0.059 0.000 2.469 295 C HA 0.056 4.548 4.460 0.053 0.000 0.309 295 C C 0.354 175.368 174.990 0.041 0.000 1.385 295 C CA -0.586 58.470 59.018 0.064 0.000 1.890 295 C CB 1.647 29.452 27.740 0.108 0.000 2.245 295 C HN 0.064 8.335 8.230 0.067 0.000 0.530 296 E N -1.466 118.757 120.200 0.039 0.000 2.722 296 E HA -0.465 3.991 4.350 0.027 -0.089 0.265 296 E C -0.843 175.773 176.600 0.027 0.000 1.081 296 E CA 1.270 57.687 56.400 0.028 0.000 0.781 296 E CB -2.396 27.316 29.700 0.019 0.000 1.372 296 E HN 0.340 8.728 8.360 0.047 0.000 0.423 297 E N -1.242 118.978 120.200 0.034 0.000 2.086 297 E HA -0.091 4.275 4.350 0.026 0.000 0.190 297 E C 0.447 177.065 176.600 0.030 0.000 0.975 297 E CA 2.037 58.456 56.400 0.031 0.000 0.813 297 E CB 1.020 30.741 29.700 0.035 0.000 0.768 297 E HN -0.074 8.268 8.360 0.043 0.044 0.457 298 C N -5.830 113.490 119.300 0.033 0.000 2.974 298 C HA 0.303 4.779 4.460 0.028 0.000 0.282 298 C C -0.778 174.226 174.990 0.025 0.000 1.292 298 C CA -2.704 56.332 59.018 0.030 0.000 1.710 298 C CB 0.352 28.113 27.740 0.033 0.000 2.036 298 C HN -0.386 7.862 8.230 0.040 0.006 0.629 299 S N -0.072 115.643 115.700 0.025 0.000 3.628 299 S HA -0.362 4.120 4.470 0.020 0.000 0.373 299 S C -0.446 174.169 174.600 0.024 0.000 0.968 299 S CA 0.117 58.329 58.200 0.019 0.000 1.215 299 S CB -0.939 62.267 63.200 0.009 0.000 0.912 299 S HN 0.018 8.223 8.310 0.028 0.121 0.495 300 G N -2.507 106.316 108.800 0.038 0.000 3.140 300 G HA2 0.463 4.447 3.960 0.040 0.000 0.271 300 G HA3 0.463 4.542 3.960 0.057 -0.085 0.271 300 G C -2.782 172.156 174.900 0.063 0.000 1.370 300 G CA -1.315 43.814 45.100 0.049 0.000 1.014 300 G HN -0.420 7.970 8.290 0.042 -0.076 0.541 301 Q N -1.638 118.210 119.800 0.081 0.000 2.353 301 Q HA 0.395 4.786 4.340 0.086 0.000 0.268 301 Q C -1.344 174.750 176.000 0.157 0.000 1.045 301 Q CA -1.405 54.457 55.803 0.098 0.000 0.811 301 Q CB 3.866 32.654 28.738 0.083 0.000 1.305 301 Q HN -0.163 8.155 8.270 0.080 0.000 0.447 302 L N 4.803 126.140 121.223 0.190 0.000 2.278 302 L HA -0.015 4.579 4.340 0.424 0.000 0.287 302 L C -0.565 176.502 176.870 0.327 0.000 1.072 302 L CA -0.006 55.037 54.840 0.338 0.000 0.819 302 L CB -0.028 42.204 42.059 0.288 0.000 1.176 302 L HN 0.326 8.638 8.230 0.137 0.000 0.435 303 V N 5.378 125.529 119.914 0.396 0.000 2.487 303 V HA 0.186 4.545 4.120 0.399 0.000 0.298 303 V C -1.733 174.705 176.094 0.573 0.000 1.028 303 V CA -1.150 61.390 62.300 0.399 0.000 0.860 303 V CB 1.579 33.556 31.823 0.257 0.000 0.991 303 V HN 0.257 8.687 8.190 0.399 0.000 0.427 304 F N 6.566 126.715 119.950 0.332 0.000 2.664 304 F HA 0.455 5.225 4.527 0.404 0.000 0.329 304 F C -2.091 173.856 175.800 0.244 0.000 1.090 304 F CA -3.541 54.689 58.000 0.383 0.000 0.978 304 F CB 3.339 42.643 39.000 0.507 0.000 1.378 304 F HN 0.046 8.921 8.300 0.958 0.000 0.495 305 K N -0.371 119.693 120.400 -0.559 0.000 2.439 305 K HA 0.374 4.138 4.320 -0.927 0.000 0.260 305 K C -1.027 175.028 176.600 -0.909 0.000 1.032 305 K CA -2.423 53.405 56.287 -0.766 0.000 0.882 305 K CB 3.600 35.899 32.500 -0.335 0.000 1.420 305 K HN 0.174 8.348 8.250 -0.126 0.000 0.455 306 S N 1.824 117.054 115.700 -0.784 0.000 2.510 306 S HA -0.037 3.428 4.470 -1.675 0.000 0.279 306 S C -0.214 173.669 174.600 -1.195 0.000 1.284 306 S CA 1.999 59.540 58.200 -1.099 0.000 1.059 306 S CB 0.035 62.936 63.200 -0.498 0.000 0.901 306 S HN 0.320 8.275 8.310 -0.591 0.000 0.491 307 D N -1.813 117.194 120.400 -2.322 0.000 3.068 307 D HA -0.373 3.852 4.640 -0.691 0.000 0.218 307 D C -1.929 174.214 176.300 -0.261 0.000 1.145 307 D CA 0.990 54.422 54.000 -0.946 0.000 0.896 307 D CB -1.927 38.632 40.800 -0.402 0.000 1.105 307 D HN 0.374 5.385 8.370 -5.598 0.000 0.423 308 A N -2.973 119.754 122.820 -0.155 0.000 2.522 308 A HA 0.110 4.592 4.320 0.271 0.000 0.290 308 A C -2.707 175.096 177.584 0.366 0.000 1.047 308 A CA -0.006 52.139 52.037 0.180 0.000 0.935 308 A CB 2.103 21.172 19.000 0.116 0.000 1.451 308 A HN -0.614 7.266 8.150 -0.382 0.041 0.398 309 Y N 5.863 126.418 120.300 0.425 0.000 2.335 309 Y HA 0.290 5.157 4.550 0.529 0.000 0.338 309 Y C -3.305 172.822 175.900 0.378 0.000 0.977 309 Y CA -1.765 56.633 58.100 0.497 0.000 1.114 309 Y CB 2.068 40.853 38.460 0.542 0.000 1.182 309 Y HN -0.233 8.358 8.280 0.518 0.000 0.463 310 Y N 6.493 126.628 120.300 -0.275 0.000 2.350 310 Y HA 0.582 4.940 4.550 -0.673 -0.212 0.338 310 Y C -0.882 174.839 175.900 -0.299 0.000 0.961 310 Y CA -2.073 55.763 58.100 -0.440 0.000 1.100 310 Y CB 3.101 41.475 38.460 -0.143 0.000 1.179 310 Y HN -0.135 8.408 8.280 0.438 0.000 0.454 311 C N 3.762 122.876 119.300 -0.310 0.000 2.295 311 C HA 0.635 5.337 4.460 0.215 -0.113 0.331 311 C C -0.866 174.156 174.990 0.053 0.000 1.280 311 C CA -3.286 55.761 59.018 0.049 0.000 1.746 311 C CB 1.414 29.239 27.740 0.143 0.000 2.328 311 C HN 0.493 8.373 8.230 -0.583 0.000 0.521 312 T N 3.569 118.180 114.554 0.095 0.000 2.809 312 T HA 0.682 5.221 4.350 0.057 -0.155 0.284 312 T C -0.547 174.190 174.700 0.062 0.000 0.992 312 T CA -1.444 60.699 62.100 0.072 0.000 0.957 312 T CB 1.855 70.770 68.868 0.077 0.000 0.942 312 T HN 0.061 8.376 8.240 0.125 0.000 0.439 313 G N 2.492 111.320 108.800 0.046 0.000 2.680 313 G HA2 0.389 4.370 3.960 0.035 0.000 0.290 313 G HA3 0.389 4.454 3.960 0.037 -0.082 0.290 313 G C -3.377 171.536 174.900 0.022 0.000 1.355 313 G CA -0.921 44.200 45.100 0.035 0.000 0.903 313 G HN -0.089 8.227 8.290 0.042 0.000 0.474 314 D N -1.091 119.314 120.400 0.009 0.000 2.256 314 D HA 0.180 4.817 4.640 -0.005 0.000 0.240 314 D C -0.727 175.567 176.300 -0.009 0.000 1.062 314 D CA -0.008 53.987 54.000 -0.009 0.000 0.832 314 D CB 1.909 42.691 40.800 -0.029 0.000 1.135 314 D HN -0.394 7.982 8.370 0.009 0.000 0.484 315 V N 4.817 124.728 119.914 -0.005 0.000 3.480 315 V HA 0.294 4.413 4.120 -0.001 0.000 0.263 315 V C -1.142 174.952 176.094 -0.000 0.000 1.442 315 V CA -0.345 61.958 62.300 0.005 0.000 1.053 315 V CB 2.988 34.827 31.823 0.026 0.000 0.846 315 V HN 0.016 8.205 8.190 -0.001 0.000 0.440 316 T N 0.265 114.808 114.554 -0.018 0.000 2.894 316 T HA 0.221 4.525 4.350 -0.077 0.000 0.309 316 T C -0.493 174.044 174.700 -0.271 0.000 1.208 316 T CA -1.229 60.842 62.100 -0.048 0.000 1.016 316 T CB 2.964 71.938 68.868 0.177 0.000 1.192 316 T HN -0.182 8.047 8.240 -0.019 0.000 0.491 317 A N 2.191 124.544 122.820 -0.778 0.000 2.186 317 A HA -0.135 3.743 4.320 -0.737 0.000 0.219 317 A C -0.475 176.412 177.584 -1.161 0.000 1.159 317 A CA 2.038 53.308 52.037 -1.280 0.000 0.680 317 A CB -0.417 17.312 19.000 -2.117 0.000 0.787 317 A HN 0.847 8.511 8.150 -0.812 0.000 0.467 318 W N -8.256 113.048 121.300 0.008 0.000 1.419 318 W HA 0.222 4.887 4.660 0.008 0.000 0.230 318 W C -1.856 174.668 176.519 0.009 0.000 0.820 318 W CA -1.273 56.077 57.345 0.008 0.000 1.448 318 W CB 1.153 30.617 29.460 0.007 0.000 0.919 318 W HN -0.498 7.607 8.180 -0.002 0.074 0.431 319 T N 2.468 117.152 114.554 0.217 0.000 3.032 319 T HA 0.249 4.684 4.350 0.140 0.000 0.312 319 T C -2.445 172.301 174.700 0.076 0.000 1.078 319 T CA 0.024 62.215 62.100 0.153 0.000 1.028 319 T CB 2.792 71.768 68.868 0.180 0.000 1.091 319 T HN -0.285 7.883 8.240 0.114 0.140 0.457 320 K N 1.239 121.675 120.400 0.060 0.000 2.466 320 K HA 0.349 4.705 4.320 0.032 -0.016 0.260 320 K C -1.463 175.159 176.600 0.038 0.000 1.011 320 K CA -2.122 54.188 56.287 0.039 0.000 0.871 320 K CB 2.107 34.626 32.500 0.032 0.000 1.404 320 K HN -0.091 8.199 8.250 0.067 0.000 0.450 321 C N 1.230 120.549 119.300 0.031 0.000 2.369 321 C HA 0.384 4.857 4.460 0.021 0.000 0.322 321 C C -1.474 173.525 174.990 0.015 0.000 1.258 321 C CA -1.353 57.679 59.018 0.023 0.000 1.487 321 C CB 0.662 28.417 27.740 0.024 0.000 2.165 321 C HN 0.081 8.330 8.230 0.031 0.000 0.483 322 M N 7.411 127.008 119.600 -0.005 0.000 2.253 322 M HA 0.988 5.846 4.480 -0.026 -0.393 0.314 322 M C -1.268 174.959 176.300 -0.121 0.000 1.019 322 M CA -1.310 53.968 55.300 -0.037 0.000 0.932 322 M CB 3.792 36.397 32.600 0.009 0.000 1.606 322 M HN 0.316 8.603 8.290 -0.006 0.000 0.430 323 V N 0.169 119.950 119.914 -0.221 0.000 2.487 323 V HA 0.388 4.380 4.120 -0.213 0.000 0.298 323 V C -1.851 173.876 176.094 -0.611 0.000 1.028 323 V CA -2.880 59.253 62.300 -0.278 0.000 0.860 323 V CB 2.722 34.488 31.823 -0.095 0.000 0.991 323 V HN 0.042 8.097 8.190 -0.224 0.000 0.427 324 K N 8.647 128.706 120.400 -0.568 0.000 2.290 324 K HA 0.506 4.291 4.320 -1.218 -0.196 0.250 324 K C -0.898 175.532 176.600 -0.284 0.000 1.092 324 K CA -0.938 54.889 56.287 -0.766 0.000 1.006 324 K CB -0.149 31.902 32.500 -0.747 0.000 1.549 324 K HN 0.375 8.405 8.250 -0.367 0.000 0.436 325 T N 6.198 120.706 114.554 -0.077 0.000 2.807 325 T HA 0.275 4.707 4.350 0.137 0.000 0.279 325 T C 0.252 175.231 174.700 0.465 0.000 0.993 325 T CA -1.013 61.252 62.100 0.275 0.000 0.970 325 T CB 2.536 71.644 68.868 0.401 0.000 0.950 325 T HN -0.170 7.818 8.240 -0.420 0.000 0.441 326 Q N 5.154 125.172 119.800 0.364 0.000 2.045 326 Q HA -0.395 4.323 4.340 0.631 0.000 0.206 326 Q C -0.377 176.029 176.000 0.677 0.000 0.991 326 Q CA 2.908 59.073 55.803 0.603 0.000 0.851 326 Q CB -0.528 28.529 28.738 0.532 0.000 0.911 326 Q HN 0.447 8.865 8.270 0.247 0.000 0.418 327 T N 2.779 117.468 114.554 0.225 0.000 2.817 327 T HA 0.135 4.389 4.350 -0.160 0.000 0.293 327 T C -1.790 172.841 174.700 -0.116 0.000 0.964 327 T CA -2.409 59.658 62.100 -0.054 0.000 1.085 327 T CB 0.368 69.126 68.868 -0.184 0.000 0.921 327 T HN -0.508 7.841 8.240 0.181 0.000 0.502 328 P HA 0.036 2.571 4.420 -3.143 0.000 0.277 328 P C -1.758 175.091 177.300 -0.751 0.000 1.271 328 P CA -1.493 60.748 63.100 -1.432 0.000 0.795 328 P CB 0.831 31.781 31.700 -1.249 0.000 1.101 329 N N 0.236 118.546 118.700 -0.650 0.000 2.434 329 N HA -0.235 4.383 4.740 -0.204 0.000 0.268 329 N C -0.463 174.882 175.510 -0.276 0.000 1.256 329 N CA 0.701 53.583 53.050 -0.280 0.000 0.914 329 N CB 0.202 38.609 38.487 -0.133 0.000 1.088 329 N HN 0.235 8.084 8.380 -0.885 0.000 0.478 330 R N 4.073 124.440 120.500 -0.221 0.000 2.316 330 R HA 0.183 4.490 4.340 -0.301 -0.148 0.314 330 R C -0.561 175.640 176.300 -0.166 0.000 1.069 330 R CA -0.642 55.326 56.100 -0.219 0.000 0.959 330 R CB -0.542 29.663 30.300 -0.158 0.000 0.987 330 R HN 0.053 8.213 8.270 -0.184 0.000 0.446 331 K N 2.617 122.902 120.400 -0.191 0.000 2.428 331 K HA 0.205 4.460 4.320 -0.109 0.000 0.279 331 K C -2.102 174.408 176.600 -0.150 0.000 1.041 331 K CA -1.665 54.543 56.287 -0.132 0.000 0.887 331 K CB 4.548 36.996 32.500 -0.086 0.000 1.535 331 K HN 0.394 8.489 8.250 -0.259 0.000 0.417 332 E N 1.546 121.708 120.200 -0.065 0.000 2.290 332 E HA -0.093 4.242 4.350 -0.024 0.000 0.277 332 E C -0.642 176.035 176.600 0.128 0.000 1.035 332 E CA 0.439 56.850 56.400 0.019 0.000 0.873 332 E CB 0.275 29.998 29.700 0.039 0.000 1.029 332 E HN 0.149 8.481 8.360 -0.048 0.000 0.419 333 W N 2.759 123.984 121.300 -0.126 0.000 2.181 333 W HA 0.202 4.797 4.660 -0.108 0.000 0.415 333 W C -0.901 175.572 176.519 -0.077 0.000 1.689 333 W CA -3.566 53.713 57.345 -0.109 0.000 1.859 333 W CB -0.066 29.318 29.460 -0.127 0.000 1.425 333 W HN 0.256 8.761 8.180 0.543 0.000 0.713 334 V N 0.167 120.131 119.914 0.083 0.000 2.408 334 V HA 0.311 4.336 4.120 -0.158 0.000 0.267 334 V C -1.461 174.381 176.094 -0.419 0.000 1.047 334 V CA -1.042 61.156 62.300 -0.169 0.000 0.937 334 V CB -0.381 31.359 31.823 -0.139 0.000 0.999 334 V HN 0.112 8.456 8.190 0.257 0.000 0.472 335 T N 8.004 122.306 114.554 -0.421 0.000 2.893 335 T HA 0.411 4.517 4.350 -0.407 0.000 0.293 335 T C -2.294 172.245 174.700 -0.269 0.000 1.027 335 T CA -3.333 58.536 62.100 -0.384 0.000 0.988 335 T CB 1.217 69.914 68.868 -0.285 0.000 1.043 335 T HN -0.153 7.908 8.240 -0.299 0.000 0.461 336 P HA -0.045 4.247 4.420 -0.214 0.000 0.273 336 P C 0.835 178.119 177.300 -0.027 0.000 1.252 336 P CA -0.537 62.507 63.100 -0.094 0.000 0.809 336 P CB 0.570 32.318 31.700 0.079 0.000 1.017 337 K N -0.313 120.069 120.400 -0.031 0.000 2.015 337 K HA -0.519 3.775 4.320 -0.043 0.000 0.220 337 K C 2.213 178.805 176.600 -0.014 0.000 1.055 337 K CA 3.699 59.969 56.287 -0.028 0.000 0.951 337 K CB -1.118 31.366 32.500 -0.027 0.000 0.725 337 K HN 0.461 8.688 8.250 -0.038 0.000 0.449 338 E N -0.520 119.672 120.200 -0.014 0.000 2.012 338 E HA -0.229 4.088 4.350 -0.055 0.000 0.197 338 E C 2.525 179.097 176.600 -0.046 0.000 1.007 338 E CA 2.837 59.201 56.400 -0.059 0.000 0.816 338 E CB -0.855 28.768 29.700 -0.128 0.000 0.762 338 E HN 0.096 8.453 8.360 -0.006 0.000 0.451 339 F N -0.328 119.596 119.950 -0.043 0.000 2.192 339 F HA -0.304 4.212 4.527 -0.017 0.000 0.301 339 F C 2.152 177.908 175.800 -0.073 0.000 1.079 339 F CA 3.128 61.097 58.000 -0.051 0.000 1.303 339 F CB -0.225 38.724 39.000 -0.086 0.000 1.024 339 F HN -0.218 8.148 8.300 0.109 0.000 0.494 340 R N -0.397 120.155 120.500 0.088 0.000 2.154 340 R HA -0.442 3.885 4.340 -0.021 0.000 0.248 340 R C 1.160 177.442 176.300 -0.030 0.000 1.155 340 R CA 3.084 59.182 56.100 -0.003 0.000 0.979 340 R CB -0.446 29.831 30.300 -0.038 0.000 0.869 340 R HN 0.239 8.348 8.270 0.081 0.211 0.452 341 E N -4.275 115.909 120.200 -0.027 0.000 2.401 341 E HA -0.205 4.077 4.350 -0.113 0.000 0.199 341 E C 0.700 177.151 176.600 -0.247 0.000 1.023 341 E CA 1.920 58.267 56.400 -0.089 0.000 0.859 341 E CB 0.187 29.884 29.700 -0.005 0.000 0.780 341 E HN -0.623 7.706 8.360 -0.001 0.030 0.523 342 I N -3.456 117.055 120.570 -0.098 0.000 2.483 342 I HA -0.127 3.876 4.170 -0.278 0.000 0.291 342 I C -0.633 175.359 176.117 -0.209 0.000 1.112 342 I CA 0.777 62.008 61.300 -0.114 0.000 1.350 342 I CB -0.780 37.337 38.000 0.195 0.000 1.419 342 I HN -0.192 7.844 8.210 0.024 0.188 0.523 343 S N 4.712 120.115 115.700 -0.495 0.000 2.658 343 S HA 0.255 4.844 4.470 -0.116 -0.189 0.277 343 S C 0.321 174.830 174.600 -0.152 0.000 1.078 343 S CA 0.368 58.407 58.200 -0.268 0.000 1.124 343 S CB 2.280 65.318 63.200 -0.271 0.000 1.016 343 S HN -0.150 7.488 8.310 -1.120 0.000 0.543 344 Y N 0.753 121.076 120.300 0.038 0.000 2.337 344 Y HA -0.145 4.421 4.550 0.027 0.000 0.293 344 Y C 1.214 177.137 175.900 0.038 0.000 1.123 344 Y CA 0.160 58.280 58.100 0.032 0.000 1.201 344 Y CB -1.799 36.678 38.460 0.028 0.000 1.011 344 Y HN 0.032 7.590 8.280 -1.205 0.000 0.545 345 L N 1.359 122.833 121.223 0.419 0.000 1.965 345 L HA -0.544 3.934 4.340 0.231 0.000 0.226 345 L C 1.561 178.516 176.870 0.141 0.000 1.083 345 L CA 3.783 58.773 54.840 0.251 0.000 0.790 345 L CB -0.786 41.413 42.059 0.233 0.000 0.898 345 L HN -0.330 8.225 8.230 0.542 0.000 0.439 346 K N -2.357 118.100 120.400 0.096 0.000 2.000 346 K HA -0.480 3.865 4.320 0.041 0.000 0.218 346 K C 1.060 177.694 176.600 0.057 0.000 1.053 346 K CA 3.025 59.342 56.287 0.050 0.000 0.946 346 K CB -0.253 32.253 32.500 0.011 0.000 0.723 346 K HN -0.054 8.254 8.250 0.097 0.000 0.446 347 K N -3.946 116.490 120.400 0.060 0.000 2.144 347 K HA -0.309 4.034 4.320 0.038 0.000 0.209 347 K C 2.919 179.555 176.600 0.060 0.000 1.047 347 K CA 2.505 58.825 56.287 0.055 0.000 0.927 347 K CB -0.059 32.478 32.500 0.062 0.000 0.716 347 K HN -0.249 8.037 8.250 0.060 0.000 0.454 348 L N -2.083 119.188 121.223 0.079 0.000 1.937 348 L HA -0.201 4.175 4.340 0.060 0.000 0.213 348 L C 0.942 177.847 176.870 0.058 0.000 1.077 348 L CA 2.957 57.838 54.840 0.069 0.000 0.758 348 L CB 0.801 42.906 42.059 0.078 0.000 0.888 348 L HN -0.488 7.686 8.230 0.100 0.117 0.433 349 K N -2.759 117.681 120.400 0.066 0.000 2.675 349 K HA 0.156 4.506 4.320 0.050 0.000 0.224 349 K C -1.718 174.922 176.600 0.067 0.000 1.003 349 K CA -1.034 55.289 56.287 0.061 0.000 1.034 349 K CB 0.144 32.684 32.500 0.066 0.000 1.218 349 K HN -0.568 7.728 8.250 0.077 0.000 0.507 350 V N 4.456 124.403 119.914 0.055 0.000 2.239 350 V HA 0.116 4.289 4.120 0.087 0.000 0.267 350 V C -1.768 174.356 176.094 0.051 0.000 1.056 350 V CA -0.768 61.569 62.300 0.061 0.000 0.830 350 V CB -0.060 31.786 31.823 0.038 0.000 1.090 350 V HN 0.142 8.359 8.190 0.045 0.000 0.459 351 K N 7.184 127.619 120.400 0.059 0.000 2.168 351 K HA 0.197 4.519 4.320 0.003 0.000 0.239 351 K C -0.804 175.794 176.600 -0.004 0.000 0.999 351 K CA -1.913 54.384 56.287 0.017 0.000 0.900 351 K CB 2.863 35.366 32.500 0.004 0.000 1.111 351 K HN -0.268 8.033 8.250 0.085 0.000 0.452 352 K N 0.338 120.680 120.400 -0.097 0.000 2.171 352 K HA -0.056 4.127 4.320 -0.228 0.000 0.274 352 K C -0.728 175.600 176.600 -0.453 0.000 1.110 352 K CA -0.345 55.788 56.287 -0.257 0.000 0.952 352 K CB -1.321 31.045 32.500 -0.223 0.000 1.309 352 K HN 0.185 8.384 8.250 -0.085 0.000 0.414 353 Q N 4.094 123.465 119.800 -0.714 0.000 2.171 353 Q HA 0.120 4.240 4.340 -0.367 0.000 0.217 353 Q C -1.177 173.999 176.000 -1.374 0.000 0.995 353 Q CA 0.081 55.483 55.803 -0.668 0.000 0.979 353 Q CB 2.634 31.386 28.738 0.023 0.000 1.152 353 Q HN -0.085 7.844 8.270 -0.530 0.024 0.525 354 D N -0.900 119.196 120.400 -0.507 0.000 2.255 354 D HA 0.078 4.455 4.640 -0.439 0.000 0.249 354 D C -0.174 176.242 176.300 0.193 0.000 1.078 354 D CA 0.494 54.337 54.000 -0.263 0.000 0.896 354 D CB 1.441 42.203 40.800 -0.062 0.000 1.194 354 D HN 0.038 8.284 8.370 -0.207 0.000 0.429 355 R N 1.200 121.841 120.500 0.234 0.000 2.843 355 R HA 0.237 4.832 4.340 0.426 0.000 0.232 355 R C 0.806 177.293 176.300 0.312 0.000 1.305 355 R CA -1.516 54.804 56.100 0.366 0.000 1.096 355 R CB 2.000 32.438 30.300 0.229 0.000 1.455 355 R HN 0.086 8.342 8.270 -0.023 0.000 0.520 356 I N -0.060 120.750 120.570 0.400 0.000 3.421 356 I HA -0.147 4.182 4.170 0.264 0.000 0.321 356 I C -1.499 174.913 176.117 0.492 0.000 1.159 356 I CA 0.673 62.203 61.300 0.383 0.000 1.207 356 I CB -0.421 37.774 38.000 0.326 0.000 0.988 356 I HN 0.388 8.836 8.210 0.396 0.000 0.569 357 F N 1.739 121.756 119.950 0.111 0.000 2.350 357 F HA 0.339 4.899 4.527 0.054 0.000 0.365 357 F C -1.840 173.991 175.800 0.051 0.000 1.122 357 F CA -4.453 53.593 58.000 0.075 0.000 1.139 357 F CB -0.398 38.657 39.000 0.093 0.000 1.220 357 F HN -0.320 8.155 8.300 0.552 0.156 0.499 358 P HA 0.000 4.479 4.420 0.098 0.000 0.216 358 P CA 0.000 63.154 63.100 0.091 0.000 0.800 358 P CB 0.000 31.724 31.700 0.040 0.000 0.726