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 2kr6_1_A DATA FIRST_RESID 292 DATA SEQUENCE MVWLVNMAEG DPEAQRRVSK NSKYNAESTE RESQDTVAEN DDGGFSEEWE DATA SEQUENCE AQRDSHLGPH RSTPESRAAV QELSSSILAG EDPEERGVKL GLGDFIFYSV DATA SEQUENCE LVGKASATAS GDWNTTIACF VAILIGLCLT LLLLAIFKKA LPALPISITF DATA SEQUENCE GLVFYFATDY LVQPFMDQLA FHQFYI 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 292 M HA 0.000 4.561 4.480 0.136 0.000 0.227 292 M C 0.000 176.395 176.300 0.159 0.000 1.140 292 M CA 0.000 55.389 55.300 0.149 0.000 0.988 292 M CB 0.000 32.653 32.600 0.088 0.000 1.302 293 V N 2.830 122.845 119.914 0.168 0.000 2.594 293 V HA -0.272 3.852 4.120 0.007 0.000 0.253 293 V C 0.630 176.727 176.094 0.005 0.000 1.069 293 V CA 3.159 65.478 62.300 0.032 0.000 1.082 293 V CB -0.144 31.625 31.823 -0.091 0.000 0.680 293 V HN 0.079 8.398 8.190 0.214 0.000 0.469 294 W N -1.207 120.099 121.300 0.009 0.000 2.408 294 W HA -0.225 4.441 4.660 0.011 0.000 0.311 294 W C 2.139 178.664 176.519 0.010 0.000 1.190 294 W CA 3.621 60.972 57.345 0.011 0.000 1.321 294 W CB -0.576 28.893 29.460 0.015 0.000 1.143 294 W HN -0.081 8.412 8.180 0.573 0.030 0.501 295 L N -1.387 119.986 121.223 0.249 0.000 2.042 295 L HA -0.383 4.039 4.340 0.137 0.000 0.210 295 L C 1.792 178.712 176.870 0.083 0.000 1.076 295 L CA 3.575 58.498 54.840 0.138 0.000 0.749 295 L CB -0.369 41.754 42.059 0.106 0.000 0.893 295 L HN -0.219 8.184 8.230 0.288 0.000 0.432 296 V N -1.522 118.431 119.914 0.065 0.000 2.427 296 V HA -0.525 3.611 4.120 0.028 0.000 0.248 296 V C 2.244 178.342 176.094 0.007 0.000 1.051 296 V CA 4.083 66.399 62.300 0.028 0.000 1.048 296 V CB -0.888 30.944 31.823 0.015 0.000 0.666 296 V HN -0.157 8.083 8.190 0.083 0.000 0.456 297 N N -0.625 118.068 118.700 -0.012 0.000 2.244 297 N HA -0.249 4.463 4.740 -0.047 0.000 0.183 297 N C 1.722 177.226 175.510 -0.010 0.000 1.016 297 N CA 2.473 55.496 53.050 -0.044 0.000 0.866 297 N CB -0.230 38.181 38.487 -0.126 0.000 0.980 297 N HN -0.359 7.939 8.380 -0.006 0.078 0.430 298 M N -1.369 118.248 119.600 0.028 0.000 2.296 298 M HA -0.206 4.296 4.480 0.037 0.000 0.265 298 M C 1.984 178.300 176.300 0.027 0.000 1.064 298 M CA 3.151 58.476 55.300 0.042 0.000 1.109 298 M CB 0.043 32.687 32.600 0.074 0.000 1.396 298 M HN -0.128 8.073 8.290 0.048 0.118 0.430 299 A N -0.925 121.908 122.820 0.022 0.000 1.929 299 A HA -0.144 4.187 4.320 0.018 0.000 0.216 299 A C 0.888 178.476 177.584 0.007 0.000 1.176 299 A CA 2.211 54.257 52.037 0.015 0.000 0.628 299 A CB -0.459 18.550 19.000 0.015 0.000 0.816 299 A HN -0.617 7.406 8.150 0.024 0.141 0.444 300 E N -1.456 118.744 120.200 0.000 0.000 2.496 300 E HA 0.146 4.495 4.350 -0.003 0.000 0.202 300 E C 0.118 176.713 176.600 -0.008 0.000 1.021 300 E CA -1.650 54.746 56.400 -0.005 0.000 1.015 300 E CB 0.386 30.080 29.700 -0.011 0.000 1.102 300 E HN -0.375 7.895 8.360 -0.001 0.088 0.452 301 G N 0.488 109.287 108.800 -0.002 0.000 2.750 301 G HA2 -0.215 3.739 3.960 -0.010 0.000 0.250 301 G HA3 -0.215 3.748 3.960 0.005 0.000 0.250 301 G C -0.597 174.302 174.900 -0.003 0.000 1.230 301 G CA -0.295 44.804 45.100 -0.002 0.000 0.883 301 G HN -0.784 7.326 8.290 0.004 0.182 0.573 302 D N -0.194 120.204 120.400 -0.003 0.000 2.348 302 D HA 0.238 4.875 4.640 -0.004 0.000 0.249 302 D C 0.461 176.761 176.300 0.001 0.000 1.110 302 D CA -1.477 52.522 54.000 -0.003 0.000 0.967 302 D CB 0.834 41.632 40.800 -0.004 0.000 1.139 302 D HN -0.067 8.302 8.370 -0.002 0.000 0.466 303 P HA -0.032 4.390 4.420 0.003 0.000 0.223 303 P C -0.237 177.064 177.300 0.003 0.000 1.151 303 P CA 1.239 64.340 63.100 0.002 0.000 0.787 303 P CB -0.126 31.574 31.700 0.001 0.000 0.788 304 E N -1.814 118.388 120.200 0.003 0.000 2.130 304 E HA -0.262 4.090 4.350 0.003 0.000 0.196 304 E C -0.240 176.364 176.600 0.005 0.000 0.998 304 E CA 0.182 56.584 56.400 0.003 0.000 0.806 304 E CB -0.865 28.837 29.700 0.003 0.000 0.738 304 E HN 0.000 8.318 8.360 0.001 0.043 0.459 305 A N -0.849 121.975 122.820 0.007 0.000 2.610 305 A HA -0.331 3.996 4.320 0.012 0.000 0.299 305 A C -0.967 176.624 177.584 0.011 0.000 1.487 305 A CA 0.515 52.558 52.037 0.010 0.000 0.743 305 A CB -1.112 17.894 19.000 0.009 0.000 1.070 305 A HN -0.441 7.694 8.150 0.006 0.018 0.439 306 Q N -1.166 118.640 119.800 0.012 0.000 2.636 306 Q HA 0.052 4.398 4.340 0.010 0.000 0.233 306 Q C -0.759 175.251 176.000 0.017 0.000 1.143 306 Q CA -0.224 55.586 55.803 0.012 0.000 0.969 306 Q CB -0.572 28.172 28.738 0.009 0.000 1.185 306 Q HN 0.005 8.282 8.270 0.011 0.000 0.546 307 R N 2.756 123.267 120.500 0.019 0.000 2.720 307 R HA 0.249 4.608 4.340 0.032 0.000 0.272 307 R C -0.319 175.993 176.300 0.019 0.000 0.991 307 R CA -0.305 55.811 56.100 0.026 0.000 1.010 307 R CB 1.612 31.931 30.300 0.032 0.000 1.141 307 R HN 0.165 8.445 8.270 0.016 0.000 0.494 308 R N 1.165 121.678 120.500 0.021 0.000 2.615 308 R HA 0.203 4.546 4.340 0.005 0.000 0.448 308 R C -0.263 176.039 176.300 0.002 0.000 1.009 308 R CA -0.102 56.004 56.100 0.009 0.000 1.111 308 R CB 0.209 30.513 30.300 0.007 0.000 1.461 308 R HN 0.291 8.580 8.270 0.032 0.000 0.587 309 V N 1.644 121.564 119.914 0.010 0.000 2.788 309 V HA -0.123 3.989 4.120 -0.013 0.000 0.251 309 V C 1.677 177.763 176.094 -0.013 0.000 1.068 309 V CA 1.191 63.491 62.300 -0.001 0.000 1.090 309 V CB -0.037 31.797 31.823 0.018 0.000 0.710 309 V HN -0.271 7.931 8.190 0.020 0.000 0.467 310 S N 1.223 116.920 115.700 -0.006 0.000 2.419 310 S HA -0.166 4.299 4.470 -0.008 0.000 0.233 310 S C 0.318 174.907 174.600 -0.019 0.000 1.016 310 S CA 2.621 60.816 58.200 -0.009 0.000 0.974 310 S CB -0.329 62.869 63.200 -0.003 0.000 0.786 310 S HN 0.204 8.487 8.310 0.001 0.027 0.492 311 K N -1.762 118.624 120.400 -0.024 0.000 2.577 311 K HA 0.101 4.404 4.320 -0.029 0.000 0.210 311 K C -1.036 175.531 176.600 -0.055 0.000 1.048 311 K CA -0.616 55.652 56.287 -0.032 0.000 1.188 311 K CB -0.778 31.707 32.500 -0.026 0.000 0.910 311 K HN -0.746 7.464 8.250 -0.019 0.029 0.483 312 N N -0.464 118.195 118.700 -0.067 0.000 2.573 312 N HA -0.303 4.364 4.740 -0.121 0.000 0.280 312 N C -0.939 174.481 175.510 -0.149 0.000 1.187 312 N CA 1.339 54.317 53.050 -0.119 0.000 0.717 312 N CB -1.498 36.911 38.487 -0.131 0.000 0.899 312 N HN -0.119 8.053 8.380 -0.050 0.178 0.546 313 S N -1.685 113.943 115.700 -0.120 0.000 2.902 313 S HA 0.062 4.453 4.470 -0.131 0.000 0.250 313 S C -0.369 174.182 174.600 -0.081 0.000 1.046 313 S CA -0.356 57.785 58.200 -0.100 0.000 1.069 313 S CB 0.714 63.888 63.200 -0.044 0.000 0.967 313 S HN 0.123 8.378 8.310 -0.091 0.000 0.530 314 K N 0.704 121.022 120.400 -0.135 0.000 2.020 314 K HA -0.037 4.282 4.320 -0.001 0.000 0.206 314 K C 0.467 177.068 176.600 0.003 0.000 1.038 314 K CA 1.672 57.927 56.287 -0.053 0.000 0.947 314 K CB 0.475 32.964 32.500 -0.019 0.000 0.744 314 K HN 0.238 8.356 8.250 -0.221 0.000 0.442 315 Y N -1.847 118.425 120.300 -0.047 0.000 2.730 315 Y HA 0.266 4.800 4.550 -0.025 0.000 0.325 315 Y C -2.034 173.855 175.900 -0.018 0.000 1.132 315 Y CA -1.984 56.094 58.100 -0.037 0.000 1.206 315 Y CB 1.135 39.559 38.460 -0.060 0.000 1.390 315 Y HN -0.518 7.424 8.280 -0.562 0.000 0.555 316 N N -1.411 117.417 118.700 0.215 0.000 2.666 316 N HA -0.017 4.740 4.740 0.030 0.000 0.260 316 N C -1.624 173.975 175.510 0.149 0.000 1.077 316 N CA -0.372 52.739 53.050 0.102 0.000 1.026 316 N CB 2.207 40.709 38.487 0.026 0.000 1.653 316 N HN 0.161 8.738 8.380 0.328 0.000 0.533 317 A N 0.736 123.636 122.820 0.133 0.000 2.663 317 A HA 0.235 4.600 4.320 0.074 0.000 0.273 317 A C -1.358 176.260 177.584 0.058 0.000 0.932 317 A CA 0.176 52.269 52.037 0.093 0.000 1.055 317 A CB 0.836 19.897 19.000 0.101 0.000 1.206 317 A HN 0.260 8.482 8.150 0.120 0.000 0.485 318 E N 0.811 121.036 120.200 0.042 0.000 2.415 318 E HA 0.237 4.601 4.350 0.024 0.000 0.302 318 E C -2.161 174.449 176.600 0.016 0.000 0.907 318 E CA -0.170 56.245 56.400 0.025 0.000 0.798 318 E CB 1.896 31.609 29.700 0.022 0.000 1.315 318 E HN 0.363 8.748 8.360 0.041 0.000 0.396 319 S N 5.281 120.990 115.700 0.014 0.000 2.333 319 S HA 0.196 4.670 4.470 0.007 0.000 0.250 319 S C -1.173 173.432 174.600 0.009 0.000 0.959 319 S CA 0.198 58.404 58.200 0.010 0.000 1.037 319 S CB 0.760 63.967 63.200 0.012 0.000 1.215 319 S HN 0.379 8.698 8.310 0.015 0.000 0.410 320 T N 0.807 115.365 114.554 0.007 0.000 3.262 320 T HA 0.213 4.567 4.350 0.007 0.000 0.336 320 T C -1.390 173.313 174.700 0.005 0.000 0.911 320 T CA 0.621 62.725 62.100 0.006 0.000 1.154 320 T CB 0.414 69.286 68.868 0.007 0.000 1.007 320 T HN 0.098 8.342 8.240 0.006 0.000 0.488 321 E N 3.429 123.631 120.200 0.004 0.000 2.748 321 E HA 0.125 4.477 4.350 0.003 0.000 0.320 321 E C -1.851 174.751 176.600 0.003 0.000 0.996 321 E CA 0.279 56.681 56.400 0.003 0.000 0.835 321 E CB 1.623 31.325 29.700 0.002 0.000 1.265 321 E HN 0.181 8.544 8.360 0.005 0.000 0.420 322 R N 1.321 121.823 120.500 0.003 0.000 2.752 322 R HA 0.725 5.067 4.340 0.003 0.000 0.271 322 R C -1.784 174.517 176.300 0.003 0.000 1.026 322 R CA -0.912 55.190 56.100 0.003 0.000 0.901 322 R CB 2.508 32.810 30.300 0.004 0.000 1.243 322 R HN 0.189 8.460 8.270 0.003 0.000 0.463 323 E N 0.035 120.236 120.200 0.002 0.000 2.451 323 E HA 0.484 4.835 4.350 0.002 0.000 0.295 323 E C -2.176 174.426 176.600 0.002 0.000 0.966 323 E CA -0.354 56.047 56.400 0.002 0.000 0.808 323 E CB 2.102 31.803 29.700 0.002 0.000 1.242 323 E HN 0.675 9.036 8.360 0.003 0.000 0.412 324 S N 2.346 118.047 115.700 0.002 0.000 2.537 324 S HA 0.344 4.815 4.470 0.002 0.000 0.271 324 S C -2.227 172.374 174.600 0.002 0.000 1.148 324 S CA -0.490 57.711 58.200 0.002 0.000 0.868 324 S CB 1.053 64.254 63.200 0.002 0.000 1.115 324 S HN -0.031 8.281 8.310 0.002 0.000 0.461 325 Q N 0.765 120.566 119.800 0.001 0.000 2.829 325 Q HA 0.139 4.479 4.340 0.001 0.000 0.296 325 Q C -1.507 174.493 176.000 0.001 0.000 0.893 325 Q CA -0.434 55.370 55.803 0.001 0.000 0.772 325 Q CB 1.361 30.099 28.738 0.001 0.000 1.489 325 Q HN 0.007 8.277 8.270 0.001 0.000 0.420 326 D N -0.663 119.737 120.400 0.001 0.000 10.957 326 D HA -0.086 4.554 4.640 0.000 0.000 0.361 326 D C -1.436 174.864 176.300 0.001 0.000 3.111 326 D CA 0.791 54.791 54.000 0.001 0.000 2.605 326 D CB 0.530 41.331 40.800 0.000 0.000 1.159 326 D HN 0.176 8.546 8.370 0.001 0.000 0.941 327 T N -0.074 114.480 114.554 0.000 0.000 2.802 327 T HA 0.210 4.561 4.350 0.001 0.000 0.311 327 T C -1.403 173.297 174.700 0.000 0.000 1.405 327 T CA -0.402 61.699 62.100 0.000 0.000 1.016 327 T CB 1.141 70.009 68.868 0.001 0.000 1.352 327 T HN -0.103 8.137 8.240 0.000 0.000 0.498 328 V N -2.650 117.264 119.914 0.000 0.000 3.130 328 V HA 0.420 4.540 4.120 -0.001 0.000 0.310 328 V C -2.231 173.862 176.094 -0.000 0.000 1.158 328 V CA -1.011 61.289 62.300 -0.000 0.000 1.029 328 V CB 1.639 33.461 31.823 -0.001 0.000 1.057 328 V HN 0.274 8.464 8.190 0.000 0.000 0.436 329 A N 2.357 125.177 122.820 -0.001 0.000 2.552 329 A HA 0.870 5.190 4.320 -0.000 0.000 0.288 329 A C -1.815 175.768 177.584 -0.002 0.000 1.193 329 A CA -0.452 51.585 52.037 -0.001 0.000 0.713 329 A CB 2.663 21.662 19.000 -0.001 0.000 1.305 329 A HN 0.815 8.965 8.150 -0.001 0.000 0.424 330 E N -0.801 119.398 120.200 -0.002 0.000 2.446 330 E HA 0.233 4.581 4.350 -0.003 0.000 0.269 330 E C -1.974 174.625 176.600 -0.002 0.000 0.977 330 E CA -0.563 55.836 56.400 -0.002 0.000 0.854 330 E CB 0.742 30.441 29.700 -0.003 0.000 1.545 330 E HN 0.381 8.740 8.360 -0.001 0.000 0.448 331 N N 0.157 118.855 118.700 -0.003 0.000 2.455 331 N HA 0.167 4.906 4.740 -0.001 0.000 0.278 331 N C -1.539 173.969 175.510 -0.002 0.000 1.291 331 N CA -0.475 52.574 53.050 -0.002 0.000 0.780 331 N CB 1.412 39.897 38.487 -0.003 0.000 1.520 331 N HN 0.000 8.378 8.380 -0.004 0.000 0.486 332 D N -1.076 119.324 120.400 -0.000 0.000 2.326 332 D HA 0.191 4.831 4.640 -0.000 0.000 0.248 332 D C -1.139 175.162 176.300 0.003 0.000 1.001 332 D CA -0.933 53.068 54.000 0.002 0.000 0.961 332 D CB 0.922 41.725 40.800 0.005 0.000 1.183 332 D HN 0.030 8.400 8.370 0.001 0.000 0.502 333 D N -0.782 119.621 120.400 0.005 0.000 3.081 333 D HA 0.246 4.891 4.640 0.007 0.000 0.243 333 D C -0.564 175.751 176.300 0.025 0.000 1.388 333 D CA 0.189 54.194 54.000 0.010 0.000 1.245 333 D CB 1.750 42.552 40.800 0.002 0.000 1.319 333 D HN 0.512 8.885 8.370 0.005 0.000 0.377 334 G N -0.639 108.179 108.800 0.029 0.000 2.334 334 G HA2 -0.056 3.932 3.960 0.046 0.000 0.249 334 G HA3 -0.056 3.950 3.960 0.077 0.000 0.249 334 G C -1.414 173.519 174.900 0.055 0.000 1.327 334 G CA -0.199 44.934 45.100 0.055 0.000 0.979 334 G HN 0.068 8.367 8.290 0.016 0.000 0.471 335 G N -2.319 106.553 108.800 0.121 0.000 2.313 335 G HA2 0.243 4.163 3.960 -0.067 0.000 0.296 335 G HA3 0.243 4.187 3.960 -0.027 0.000 0.296 335 G C -2.251 172.788 174.900 0.232 0.000 1.356 335 G CA -0.178 44.952 45.100 0.050 0.000 0.833 335 G HN -0.321 8.075 8.290 0.177 0.000 0.552 336 F N -2.429 117.543 119.950 0.038 0.000 3.031 336 F HA 0.902 5.459 4.527 0.050 0.000 0.326 336 F C -1.765 174.080 175.800 0.074 0.000 1.143 336 F CA -1.012 57.022 58.000 0.056 0.000 0.871 336 F CB 2.042 41.083 39.000 0.068 0.000 1.377 336 F HN 0.772 8.803 8.300 -0.448 0.000 0.462 337 S N 0.527 116.434 115.700 0.345 0.000 2.586 337 S HA 0.203 4.800 4.470 0.212 0.000 0.277 337 S C -2.095 172.657 174.600 0.253 0.000 1.131 337 S CA 0.356 58.692 58.200 0.226 0.000 0.848 337 S CB 0.697 63.958 63.200 0.102 0.000 1.091 337 S HN 0.257 8.833 8.310 0.444 0.000 0.453 338 E N 0.900 121.230 120.200 0.218 0.000 2.398 338 E HA 0.142 4.589 4.350 0.161 0.000 0.280 338 E C -2.386 174.311 176.600 0.162 0.000 1.122 338 E CA 0.590 57.098 56.400 0.180 0.000 0.873 338 E CB 1.814 31.615 29.700 0.168 0.000 1.294 338 E HN 0.069 8.551 8.360 0.203 0.000 0.435 339 E N 0.714 121.027 120.200 0.189 0.000 2.748 339 E HA 0.106 4.543 4.350 0.145 0.000 0.320 339 E C -2.180 174.624 176.600 0.340 0.000 0.996 339 E CA -0.168 56.346 56.400 0.189 0.000 0.835 339 E CB 1.401 31.178 29.700 0.128 0.000 1.265 339 E HN 0.013 8.509 8.360 0.226 0.000 0.420 340 W N 2.024 123.311 121.300 -0.022 0.000 2.781 340 W HA 0.273 4.923 4.660 -0.016 0.000 0.333 340 W C -0.831 175.663 176.519 -0.043 0.000 1.047 340 W CA -0.388 56.940 57.345 -0.028 0.000 1.236 340 W CB 1.317 30.757 29.460 -0.032 0.000 1.394 340 W HN 0.229 8.564 8.180 0.259 0.000 0.466 341 E N 2.596 122.759 120.200 -0.060 0.000 3.686 341 E HA 0.089 4.409 4.350 -0.051 0.000 0.219 341 E C -1.530 174.977 176.600 -0.155 0.000 1.076 341 E CA 0.448 56.801 56.400 -0.079 0.000 1.439 341 E CB -0.083 29.593 29.700 -0.039 0.000 1.193 341 E HN 0.042 8.266 8.360 -0.226 0.000 0.382 342 A N -0.032 122.622 122.820 -0.276 0.000 1.608 342 A HA 0.001 4.210 4.320 -0.186 0.000 0.188 342 A C -0.557 176.808 177.584 -0.365 0.000 2.043 342 A CA 0.762 52.644 52.037 -0.259 0.000 1.646 342 A CB 0.575 19.454 19.000 -0.202 0.000 1.588 342 A HN -0.045 7.867 8.150 -0.397 0.000 0.277 343 Q N 0.108 119.521 119.800 -0.646 0.000 2.454 343 Q HA -0.417 3.265 4.340 -1.095 0.000 0.341 343 Q C -0.862 174.918 176.000 -0.367 0.000 1.437 343 Q CA 1.112 56.469 55.803 -0.742 0.000 0.935 343 Q CB -1.411 26.930 28.738 -0.661 0.000 1.164 343 Q HN 0.205 8.002 8.270 -0.788 0.000 0.373 344 R N -1.671 118.658 120.500 -0.285 0.000 2.305 344 R HA -0.010 4.255 4.340 -0.125 0.000 0.040 344 R C -0.161 176.077 176.300 -0.104 0.000 0.818 344 R CA 0.048 56.056 56.100 -0.153 0.000 3.145 344 R CB 0.265 30.489 30.300 -0.127 0.000 1.118 344 R HN 0.168 8.237 8.270 -0.334 0.000 0.538 345 D N -0.174 120.158 120.400 -0.112 0.000 2.232 345 D HA 0.108 4.728 4.640 -0.033 0.000 0.220 345 D C -0.422 175.868 176.300 -0.016 0.000 0.982 345 D CA 0.932 54.900 54.000 -0.054 0.000 0.892 345 D CB 0.359 41.129 40.800 -0.050 0.000 1.040 345 D HN -0.168 8.107 8.370 -0.157 0.000 0.463 346 S N -2.459 113.211 115.700 -0.049 0.000 3.323 346 S HA -0.302 4.162 4.470 -0.010 0.000 0.637 346 S C -0.728 173.951 174.600 0.133 0.000 2.667 346 S CA 0.744 58.952 58.200 0.014 0.000 2.852 346 S CB -0.032 63.182 63.200 0.023 0.000 0.331 346 S HN -0.368 7.876 8.310 -0.110 0.000 1.796 347 H N -1.696 117.401 119.070 0.045 0.000 2.899 347 H HA -0.255 4.337 4.556 0.060 0.000 0.282 347 H C -0.614 174.738 175.328 0.041 0.000 1.198 347 H CA 0.368 56.443 56.048 0.045 0.000 1.140 347 H CB -0.199 29.581 29.762 0.030 0.000 1.317 347 H HN 0.169 8.493 8.280 0.073 0.000 0.375 348 L N -5.379 115.937 121.223 0.155 0.000 1.641 348 L HA -0.295 4.104 4.340 0.098 0.000 0.351 348 L C -0.272 176.654 176.870 0.093 0.000 1.082 348 L CA 0.577 55.487 54.840 0.117 0.000 1.226 348 L CB 0.072 42.205 42.059 0.123 0.000 0.561 348 L HN -0.167 8.108 8.230 0.126 0.030 0.249 349 G N -3.123 105.726 108.800 0.080 0.000 2.325 349 G HA2 0.002 3.984 3.960 0.036 0.000 0.297 349 G HA3 0.002 3.986 3.960 0.040 0.000 0.297 349 G C -3.061 171.874 174.900 0.059 0.000 1.448 349 G CA -0.453 44.678 45.100 0.052 0.000 0.838 349 G HN -0.001 8.345 8.290 0.095 0.000 0.579 350 P HA 0.330 4.677 4.420 -0.121 0.000 0.271 350 P C -1.085 176.199 177.300 -0.025 0.000 1.218 350 P CA -0.338 62.721 63.100 -0.068 0.000 0.780 350 P CB 0.858 32.502 31.700 -0.094 0.000 0.901 351 H N 0.188 119.259 119.070 0.002 0.000 2.657 351 H HA 0.064 4.617 4.556 -0.004 0.000 0.262 351 H C -0.077 175.250 175.328 -0.002 0.000 0.965 351 H CA -0.504 55.544 56.048 -0.001 0.000 1.184 351 H CB 0.748 30.512 29.762 0.003 0.000 1.443 351 H HN -0.050 7.783 8.280 -0.745 0.000 0.462 352 R N -0.375 119.946 120.500 -0.299 0.000 3.777 352 R HA -0.241 3.994 4.340 -0.174 0.000 0.525 352 R C -1.081 175.266 176.300 0.079 0.000 0.241 352 R CA -0.014 56.023 56.100 -0.104 0.000 1.635 352 R CB 0.343 30.604 30.300 -0.065 0.000 1.033 352 R HN -0.142 7.568 8.270 -0.933 0.000 0.552 353 S N 0.524 116.251 115.700 0.045 0.000 2.465 353 S HA -0.061 4.461 4.470 0.088 0.000 0.307 353 S C -0.101 174.529 174.600 0.050 0.000 1.187 353 S CA 0.970 59.205 58.200 0.059 0.000 1.141 353 S CB -0.100 63.119 63.200 0.031 0.000 1.108 353 S HN 0.140 8.455 8.310 0.008 0.000 0.525 354 T N 8.186 122.778 114.554 0.065 0.000 2.934 354 T HA 0.427 4.797 4.350 0.033 0.000 0.283 354 T C -0.409 174.307 174.700 0.027 0.000 1.005 354 T CA -2.884 59.241 62.100 0.042 0.000 1.041 354 T CB -0.307 68.589 68.868 0.047 0.000 1.042 354 T HN -0.293 8.001 8.240 0.090 0.000 0.505 355 P HA -0.044 4.383 4.420 0.012 0.000 0.226 355 P C 1.330 178.636 177.300 0.010 0.000 1.153 355 P CA 1.313 64.420 63.100 0.011 0.000 0.777 355 P CB 0.297 32.001 31.700 0.007 0.000 0.794 356 E N -0.986 119.220 120.200 0.010 0.000 2.171 356 E HA -0.308 4.046 4.350 0.007 0.000 0.197 356 E C 2.360 178.965 176.600 0.009 0.000 0.997 356 E CA 3.429 59.834 56.400 0.007 0.000 0.810 356 E CB -0.387 29.314 29.700 0.002 0.000 0.738 356 E HN 0.601 8.917 8.360 0.012 0.052 0.467 357 S N -0.776 114.930 115.700 0.011 0.000 2.351 357 S HA -0.407 4.068 4.470 0.008 0.000 0.220 357 S C 1.897 176.503 174.600 0.010 0.000 1.035 357 S CA 4.067 62.273 58.200 0.011 0.000 1.031 357 S CB -0.189 63.020 63.200 0.015 0.000 0.928 357 S HN -0.641 7.649 8.310 0.014 0.029 0.433 358 R N 0.583 121.089 120.500 0.010 0.000 2.066 358 R HA -0.336 4.008 4.340 0.007 0.000 0.232 358 R C 2.094 178.398 176.300 0.007 0.000 1.131 358 R CA 3.188 59.292 56.100 0.008 0.000 0.955 358 R CB -0.181 30.123 30.300 0.007 0.000 0.851 358 R HN -0.523 7.753 8.270 0.011 0.000 0.432 359 A N -1.602 121.223 122.820 0.008 0.000 1.917 359 A HA -0.288 4.036 4.320 0.008 0.000 0.219 359 A C 1.941 179.532 177.584 0.012 0.000 1.182 359 A CA 3.043 55.085 52.037 0.009 0.000 0.633 359 A CB -0.931 18.075 19.000 0.009 0.000 0.819 359 A HN 0.205 8.360 8.150 0.008 0.000 0.448 360 A N -1.288 121.540 122.820 0.014 0.000 1.858 360 A HA -0.309 4.026 4.320 0.025 0.000 0.216 360 A C 2.245 179.836 177.584 0.012 0.000 1.190 360 A CA 3.131 55.179 52.037 0.018 0.000 0.617 360 A CB -0.752 18.259 19.000 0.018 0.000 0.827 360 A HN 0.104 8.148 8.150 0.012 0.113 0.443 361 V N -0.884 119.035 119.914 0.008 0.000 2.255 361 V HA -0.568 3.554 4.120 0.004 0.000 0.247 361 V C 2.246 178.340 176.094 0.000 0.000 1.051 361 V CA 4.216 66.518 62.300 0.004 0.000 1.018 361 V CB -0.915 30.911 31.823 0.004 0.000 0.641 361 V HN -0.429 7.767 8.190 0.009 0.000 0.445 362 Q N -0.691 119.110 119.800 0.002 0.000 2.061 362 Q HA -0.382 3.957 4.340 -0.003 0.000 0.204 362 Q C 2.394 178.392 176.000 -0.003 0.000 0.984 362 Q CA 3.392 59.195 55.803 -0.001 0.000 0.846 362 Q CB -0.288 28.451 28.738 0.001 0.000 0.902 362 Q HN 0.338 8.611 8.270 0.004 0.000 0.421 363 E N -0.803 119.398 120.200 0.002 0.000 2.153 363 E HA -0.297 4.055 4.350 0.003 0.000 0.194 363 E C 2.757 179.350 176.600 -0.012 0.000 0.988 363 E CA 2.911 59.313 56.400 0.003 0.000 0.811 363 E CB -0.225 29.486 29.700 0.018 0.000 0.746 363 E HN 0.066 8.319 8.360 0.006 0.111 0.466 364 L N 0.033 121.249 121.223 -0.011 0.000 2.056 364 L HA -0.258 4.061 4.340 -0.034 0.000 0.207 364 L C 2.693 179.542 176.870 -0.036 0.000 1.078 364 L CA 3.111 57.937 54.840 -0.024 0.000 0.749 364 L CB 0.032 42.083 42.059 -0.013 0.000 0.901 364 L HN 0.276 8.383 8.230 -0.003 0.121 0.433 365 S N -0.385 115.299 115.700 -0.026 0.000 2.368 365 S HA -0.318 4.133 4.470 -0.031 0.000 0.224 365 S C 2.238 176.813 174.600 -0.040 0.000 1.029 365 S CA 4.415 62.597 58.200 -0.029 0.000 0.988 365 S CB -0.243 62.946 63.200 -0.019 0.000 0.838 365 S HN -0.245 7.970 8.310 -0.018 0.084 0.462 366 S N 1.229 116.907 115.700 -0.037 0.000 2.406 366 S HA -0.243 4.202 4.470 -0.041 0.000 0.228 366 S C 1.618 176.169 174.600 -0.082 0.000 1.020 366 S CA 3.701 61.875 58.200 -0.044 0.000 0.965 366 S CB 0.037 63.223 63.200 -0.022 0.000 0.798 366 S HN -0.398 7.896 8.310 -0.027 0.000 0.488 367 S N 1.747 117.391 115.700 -0.093 0.000 2.395 367 S HA -0.188 4.148 4.470 -0.224 0.000 0.225 367 S C 1.514 176.007 174.600 -0.179 0.000 1.027 367 S CA 3.337 61.440 58.200 -0.161 0.000 0.965 367 S CB 0.223 63.345 63.200 -0.130 0.000 0.812 367 S HN -0.050 8.018 8.310 -0.065 0.203 0.482 368 I N 1.356 121.854 120.570 -0.119 0.000 2.490 368 I HA -0.182 3.913 4.170 -0.125 0.000 0.234 368 I C 1.474 177.537 176.117 -0.090 0.000 1.066 368 I CA 2.634 63.872 61.300 -0.104 0.000 1.405 368 I CB 0.325 38.283 38.000 -0.071 0.000 1.191 368 I HN -0.179 7.866 8.210 -0.092 0.110 0.433 369 L N -1.309 119.875 121.223 -0.065 0.000 2.043 369 L HA -0.271 4.042 4.340 -0.046 0.000 0.212 369 L C 0.488 177.322 176.870 -0.060 0.000 1.075 369 L CA 2.089 56.898 54.840 -0.052 0.000 0.752 369 L CB 0.456 42.493 42.059 -0.037 0.000 0.891 369 L HN -0.272 7.923 8.230 -0.058 0.000 0.432 370 A N -6.148 116.627 122.820 -0.075 0.000 2.847 370 A HA -0.334 4.136 4.320 -0.093 -0.205 0.263 370 A C 0.565 178.121 177.584 -0.047 0.000 1.391 370 A CA 0.685 52.674 52.037 -0.080 0.000 0.866 370 A CB -2.647 16.291 19.000 -0.102 0.000 1.057 370 A HN -0.673 7.422 8.150 -0.078 0.008 0.673 371 G N -3.624 105.155 108.800 -0.035 0.000 2.479 371 G HA2 -0.287 3.660 3.960 -0.020 0.000 0.220 371 G HA3 -0.287 3.661 3.960 -0.019 0.000 0.220 371 G C -0.127 174.764 174.900 -0.015 0.000 1.115 371 G CA 0.996 46.082 45.100 -0.022 0.000 0.757 371 G HN 0.555 8.783 8.290 -0.038 0.039 0.560 372 E N -0.834 119.357 120.200 -0.016 0.000 2.518 372 E HA 0.181 4.529 4.350 -0.002 0.000 0.248 372 E C -1.635 174.966 176.600 0.002 0.000 1.028 372 E CA -1.066 55.331 56.400 -0.005 0.000 0.922 372 E CB 1.579 31.277 29.700 -0.002 0.000 1.299 372 E HN -0.531 7.772 8.360 -0.023 0.043 0.457 373 D N 0.272 120.681 120.400 0.015 0.000 2.441 373 D HA 0.375 5.038 4.640 0.037 0.000 0.287 373 D C -1.664 174.665 176.300 0.048 0.000 1.198 373 D CA -1.284 52.736 54.000 0.032 0.000 0.894 373 D CB 0.491 41.308 40.800 0.027 0.000 1.070 373 D HN 0.049 8.427 8.370 0.013 0.000 0.499 374 P HA 0.214 4.664 4.420 0.050 0.000 0.272 374 P C -0.916 176.445 177.300 0.101 0.000 1.230 374 P CA -0.372 62.781 63.100 0.088 0.000 0.788 374 P CB 2.296 34.070 31.700 0.123 0.000 0.949 375 E N -0.626 119.592 120.200 0.029 0.000 2.717 375 E HA 0.058 4.376 4.350 -0.053 0.000 0.204 375 E C 0.278 176.794 176.600 -0.139 0.000 0.911 375 E CA 0.453 56.823 56.400 -0.051 0.000 1.370 375 E CB 1.160 30.830 29.700 -0.049 0.000 1.315 375 E HN 0.363 8.734 8.360 0.018 0.000 0.643 376 E N 0.236 120.380 120.200 -0.093 0.000 3.099 376 E HA 0.080 4.312 4.350 -0.196 0.000 0.259 376 E C -0.221 176.330 176.600 -0.083 0.000 1.274 376 E CA -0.554 55.774 56.400 -0.121 0.000 1.111 376 E CB 0.589 30.241 29.700 -0.080 0.000 1.327 376 E HN -0.170 8.160 8.360 -0.050 0.000 0.652 377 R N -2.201 118.256 120.500 -0.072 0.000 3.683 377 R HA -0.275 4.051 4.340 -0.023 0.000 0.557 377 R C -1.287 175.010 176.300 -0.005 0.000 0.304 377 R CA 0.041 56.128 56.100 -0.021 0.000 1.724 377 R CB -0.158 30.153 30.300 0.018 0.000 1.069 377 R HN 0.381 8.600 8.270 -0.086 0.000 0.564 378 G N -0.235 108.601 108.800 0.060 0.000 2.502 378 G HA2 0.331 4.348 3.960 0.096 0.000 0.311 378 G HA3 0.331 4.382 3.960 0.152 0.000 0.311 378 G C -1.973 173.054 174.900 0.211 0.000 1.270 378 G CA -0.261 44.920 45.100 0.134 0.000 0.948 378 G HN 0.202 8.528 8.290 0.060 0.000 0.487 379 V N -0.432 119.637 119.914 0.259 0.000 3.065 379 V HA 0.389 4.544 4.120 0.057 0.000 0.312 379 V C -1.692 174.419 176.094 0.029 0.000 1.412 379 V CA -2.471 59.900 62.300 0.117 0.000 1.039 379 V CB 3.156 35.022 31.823 0.070 0.000 1.077 379 V HN -0.235 8.191 8.190 0.394 0.000 0.473 380 K N 0.128 120.419 120.400 -0.183 0.000 2.360 380 K HA 0.172 4.372 4.320 -0.200 0.000 0.235 380 K C -1.417 174.926 176.600 -0.429 0.000 1.077 380 K CA -0.224 55.899 56.287 -0.273 0.000 1.035 380 K CB -1.701 30.622 32.500 -0.294 0.000 1.623 380 K HN 0.325 8.471 8.250 -0.174 0.000 0.462 381 L N 1.070 121.759 121.223 -0.889 0.000 3.291 381 L HA 0.250 4.308 4.340 -0.616 -0.087 0.307 381 L C -1.232 175.065 176.870 -0.955 0.000 1.303 381 L CA -0.578 53.572 54.840 -1.149 0.000 0.949 381 L CB 0.599 41.721 42.059 -1.563 0.000 1.375 381 L HN -0.595 7.055 8.230 -0.967 0.000 0.596 382 G N -1.349 107.264 108.800 -0.311 0.000 1.882 382 G HA2 0.045 4.016 3.960 0.019 0.000 0.256 382 G HA3 0.045 4.223 3.960 0.363 0.000 0.256 382 G C -0.883 174.096 174.900 0.131 0.000 2.065 382 G CA 0.097 45.243 45.100 0.077 0.000 0.882 382 G HN -0.530 7.601 8.290 -0.264 0.000 0.574 383 L N 0.390 121.645 121.223 0.052 0.000 2.456 383 L HA -0.050 4.307 4.340 0.028 0.000 0.224 383 L C -0.992 175.938 176.870 0.100 0.000 1.148 383 L CA 1.609 56.478 54.840 0.049 0.000 0.825 383 L CB 0.185 42.254 42.059 0.016 0.000 0.937 383 L HN 0.010 8.251 8.230 0.018 0.000 0.450 384 G N -3.707 105.171 108.800 0.130 0.000 2.763 384 G HA2 0.129 4.158 3.960 0.115 0.000 0.205 384 G HA3 0.129 4.155 3.960 0.110 0.000 0.205 384 G C 0.021 175.034 174.900 0.189 0.000 1.137 384 G CA 0.617 45.797 45.100 0.133 0.000 0.839 384 G HN -0.292 8.010 8.290 0.137 0.070 0.596 385 D N 0.542 121.087 120.400 0.241 0.000 2.165 385 D HA 0.032 4.838 4.640 0.276 0.000 0.213 385 D C 2.075 178.577 176.300 0.335 0.000 0.983 385 D CA 1.889 56.062 54.000 0.288 0.000 0.881 385 D CB -0.008 40.950 40.800 0.264 0.000 1.028 385 D HN 0.102 8.616 8.370 0.241 0.000 0.457 386 F N 0.029 120.080 119.950 0.169 0.000 2.236 386 F HA -0.308 4.329 4.527 0.184 0.000 0.302 386 F C 1.998 177.874 175.800 0.128 0.000 1.073 386 F CA 3.277 61.357 58.000 0.134 0.000 1.336 386 F CB -0.227 38.792 39.000 0.031 0.000 1.040 386 F HN -0.315 8.390 8.300 0.674 0.000 0.507 387 I N 0.132 120.879 120.570 0.294 0.000 2.394 387 I HA -0.323 3.942 4.170 0.159 0.000 0.251 387 I C 1.437 177.717 176.117 0.271 0.000 1.136 387 I CA 2.230 63.660 61.300 0.218 0.000 1.425 387 I CB -0.059 38.048 38.000 0.178 0.000 1.079 387 I HN 0.158 8.518 8.210 0.306 0.034 0.425 388 F N 2.031 122.040 119.950 0.099 0.000 2.187 388 F HA -0.327 4.226 4.527 0.043 0.000 0.295 388 F C 0.926 176.693 175.800 -0.055 0.000 1.091 388 F CA 2.408 60.411 58.000 0.005 0.000 1.308 388 F CB 0.203 39.152 39.000 -0.086 0.000 1.030 388 F HN -0.030 8.345 8.300 0.374 0.149 0.487 389 Y N -1.887 118.275 120.300 -0.230 0.000 2.395 389 Y HA -0.313 3.872 4.550 -0.608 0.000 0.293 389 Y C 2.089 177.900 175.900 -0.148 0.000 1.123 389 Y CA 3.532 61.419 58.100 -0.355 0.000 1.227 389 Y CB -0.059 38.218 38.460 -0.304 0.000 1.012 389 Y HN -0.463 7.909 8.280 0.153 0.000 0.552 390 S N -0.198 115.590 115.700 0.146 0.000 2.371 390 S HA -0.289 4.371 4.470 0.317 0.000 0.224 390 S C 1.751 176.474 174.600 0.206 0.000 1.029 390 S CA 3.491 61.837 58.200 0.244 0.000 0.978 390 S CB 0.188 63.493 63.200 0.175 0.000 0.833 390 S HN 0.386 8.670 8.310 0.166 0.125 0.466 391 V N -0.781 119.209 119.914 0.126 0.000 2.379 391 V HA -0.251 3.850 4.120 -0.031 0.000 0.245 391 V C 1.379 177.367 176.094 -0.176 0.000 1.044 391 V CA 2.990 65.307 62.300 0.027 0.000 1.036 391 V CB -0.529 31.487 31.823 0.322 0.000 0.664 391 V HN -0.607 7.669 8.190 0.144 0.000 0.453 392 L N -0.163 120.969 121.223 -0.152 0.000 2.023 392 L HA -0.210 4.032 4.340 -0.163 0.000 0.205 392 L C 1.989 178.749 176.870 -0.184 0.000 1.073 392 L CA 3.300 58.013 54.840 -0.211 0.000 0.745 392 L CB 0.198 42.015 42.059 -0.403 0.000 0.900 392 L HN -0.590 7.547 8.230 -0.154 0.000 0.435 393 V N -2.304 117.528 119.914 -0.137 0.000 2.323 393 V HA -0.370 3.685 4.120 -0.108 0.000 0.244 393 V C 1.996 178.011 176.094 -0.133 0.000 1.041 393 V CA 4.430 66.672 62.300 -0.096 0.000 1.025 393 V CB -0.885 30.924 31.823 -0.024 0.000 0.656 393 V HN 0.004 8.010 8.190 -0.128 0.108 0.451 394 G N -1.370 107.358 108.800 -0.120 0.000 2.469 394 G HA2 -0.379 3.357 3.960 -0.374 0.000 0.219 394 G HA3 -0.379 3.534 3.960 -0.277 -0.119 0.219 394 G C 1.367 176.074 174.900 -0.323 0.000 1.150 394 G CA 2.424 47.353 45.100 -0.284 0.000 0.763 394 G HN 0.186 8.353 8.290 -0.022 0.109 0.561 395 K N 0.955 121.158 120.400 -0.328 0.000 2.217 395 K HA -0.152 3.967 4.320 -0.334 0.000 0.202 395 K C 2.360 178.827 176.600 -0.221 0.000 1.051 395 K CA 1.317 57.397 56.287 -0.346 0.000 0.952 395 K CB -0.617 31.564 32.500 -0.531 0.000 0.736 395 K HN -0.544 7.511 8.250 -0.317 0.004 0.453 396 A N 0.487 123.193 122.820 -0.191 0.000 1.865 396 A HA -0.219 4.120 4.320 -0.131 -0.097 0.217 396 A C 2.318 179.825 177.584 -0.129 0.000 1.191 396 A CA 3.229 55.180 52.037 -0.144 0.000 0.623 396 A CB -0.969 17.951 19.000 -0.132 0.000 0.826 396 A HN -0.334 7.569 8.150 -0.202 0.126 0.444 397 S N -2.279 113.335 115.700 -0.143 0.000 2.362 397 S HA -0.246 4.162 4.470 -0.104 0.000 0.221 397 S C 2.212 176.738 174.600 -0.123 0.000 1.032 397 S CA 2.811 60.934 58.200 -0.127 0.000 0.973 397 S CB 0.176 63.292 63.200 -0.139 0.000 0.849 397 S HN -0.503 7.709 8.310 -0.163 0.000 0.465 398 A N 1.171 123.890 122.820 -0.168 0.000 1.841 398 A HA -0.237 4.003 4.320 -0.134 0.000 0.216 398 A C 1.561 179.092 177.584 -0.089 0.000 1.199 398 A CA 2.473 54.418 52.037 -0.153 0.000 0.621 398 A CB -0.478 18.389 19.000 -0.222 0.000 0.835 398 A HN -0.229 7.793 8.150 -0.213 0.000 0.445 399 T N -0.390 114.105 114.554 -0.098 0.000 2.588 399 T HA -0.257 4.073 4.350 -0.034 0.000 0.261 399 T C 0.326 175.013 174.700 -0.023 0.000 1.069 399 T CA 3.132 65.201 62.100 -0.052 0.000 1.172 399 T CB 0.425 69.259 68.868 -0.056 0.000 0.863 399 T HN -0.268 7.778 8.240 -0.140 0.110 0.408 400 A N -3.029 119.764 122.820 -0.044 0.000 2.571 400 A HA 0.026 4.333 4.320 -0.022 0.000 0.194 400 A C -1.883 175.663 177.584 -0.063 0.000 1.772 400 A CA 0.311 52.329 52.037 -0.032 0.000 1.517 400 A CB 0.499 19.496 19.000 -0.005 0.000 1.337 400 A HN -0.499 7.609 8.150 -0.070 0.000 0.362 401 S N -0.659 114.996 115.700 -0.075 0.000 2.481 401 S HA 0.126 4.530 4.470 -0.111 0.000 0.262 401 S C 0.807 175.345 174.600 -0.104 0.000 1.061 401 S CA -0.352 57.786 58.200 -0.103 0.000 1.039 401 S CB 0.959 64.089 63.200 -0.117 0.000 1.170 401 S HN -0.380 7.892 8.310 -0.064 0.000 0.437 402 G N 4.779 113.511 108.800 -0.113 0.000 2.485 402 G HA2 -0.307 3.608 3.960 -0.074 0.000 0.221 402 G HA3 -0.307 3.592 3.960 -0.102 0.000 0.221 402 G C -0.954 173.898 174.900 -0.080 0.000 1.115 402 G CA 0.619 45.664 45.100 -0.092 0.000 0.751 402 G HN 0.702 8.919 8.290 -0.122 0.000 0.567 403 D N -2.541 117.765 120.400 -0.157 0.000 4.136 403 D HA -0.363 4.009 4.640 -0.448 0.000 0.291 403 D C 0.884 177.087 176.300 -0.161 0.000 2.238 403 D CA 1.642 55.491 54.000 -0.252 0.000 1.141 403 D CB -0.354 40.373 40.800 -0.121 0.000 1.027 403 D HN -0.741 7.481 8.370 -0.179 0.041 1.223 404 W N -0.707 120.595 121.300 0.005 0.000 2.309 404 W HA -0.166 4.499 4.660 0.009 0.000 0.326 404 W C -0.265 176.266 176.519 0.021 0.000 1.222 404 W CA 2.069 59.421 57.345 0.011 0.000 1.237 404 W CB 0.016 29.482 29.460 0.012 0.000 1.180 404 W HN 0.461 8.538 8.180 -0.172 0.000 0.456 405 N N -6.558 112.325 118.700 0.305 0.000 2.471 405 N HA 0.101 4.938 4.740 0.161 0.000 0.270 405 N C -0.844 174.756 175.510 0.150 0.000 1.490 405 N CA -0.483 52.678 53.050 0.186 0.000 0.850 405 N CB 1.203 39.783 38.487 0.155 0.000 1.411 405 N HN -0.090 8.526 8.380 0.394 0.000 0.488 406 T N 2.745 117.390 114.554 0.151 0.000 2.684 406 T HA -0.023 4.395 4.350 0.112 0.000 0.253 406 T C 1.093 175.854 174.700 0.102 0.000 1.057 406 T CA 3.669 65.840 62.100 0.119 0.000 1.162 406 T CB 0.194 69.132 68.868 0.115 0.000 0.868 406 T HN -0.339 7.999 8.240 0.163 0.000 0.409 407 T N 4.163 118.770 114.554 0.089 0.000 2.866 407 T HA 0.007 4.443 4.350 0.143 0.000 0.250 407 T C 1.480 176.266 174.700 0.143 0.000 1.033 407 T CA 4.154 66.321 62.100 0.111 0.000 1.145 407 T CB 0.250 69.151 68.868 0.055 0.000 0.866 407 T HN -0.711 7.570 8.240 0.068 0.000 0.434 408 I N -0.504 120.115 120.570 0.081 0.000 2.236 408 I HA -0.432 3.771 4.170 0.054 0.000 0.249 408 I C 0.935 177.174 176.117 0.204 0.000 1.102 408 I CA 3.618 64.975 61.300 0.096 0.000 1.365 408 I CB -0.881 37.141 38.000 0.036 0.000 1.051 408 I HN -0.876 7.361 8.210 0.045 0.000 0.420 409 A N -0.349 122.574 122.820 0.172 0.000 1.872 409 A HA -0.232 4.192 4.320 0.173 0.000 0.214 409 A C 1.559 179.224 177.584 0.135 0.000 1.187 409 A CA 3.101 55.230 52.037 0.152 0.000 0.614 409 A CB -1.044 18.021 19.000 0.108 0.000 0.826 409 A HN -0.011 8.211 8.150 0.142 0.014 0.442 410 C N -1.255 118.122 119.300 0.129 0.000 2.401 410 C HA -0.338 4.116 4.460 -0.011 0.000 0.276 410 C C 2.146 177.186 174.990 0.084 0.000 1.233 410 C CA 4.156 63.216 59.018 0.069 0.000 1.753 410 C CB -1.464 26.325 27.740 0.083 0.000 2.029 410 C HN -0.616 7.695 8.230 0.136 0.000 0.478 411 F N 0.056 120.039 119.950 0.055 0.000 2.186 411 F HA -0.314 4.277 4.527 0.107 0.000 0.299 411 F C 1.759 177.634 175.800 0.125 0.000 1.090 411 F CA 4.594 62.662 58.000 0.113 0.000 1.307 411 F CB -0.137 38.958 39.000 0.158 0.000 1.019 411 F HN -0.059 8.496 8.300 0.441 0.009 0.489 412 V N 0.181 120.275 119.914 0.299 0.000 2.252 412 V HA -0.622 3.663 4.120 0.274 0.000 0.249 412 V C 1.666 177.816 176.094 0.094 0.000 1.056 412 V CA 4.124 66.548 62.300 0.208 0.000 1.022 412 V CB -0.976 30.935 31.823 0.146 0.000 0.641 412 V HN -0.456 7.837 8.190 0.317 0.087 0.445 413 A N -0.733 122.107 122.820 0.035 0.000 1.858 413 A HA -0.305 4.018 4.320 0.004 0.000 0.216 413 A C 2.199 179.773 177.584 -0.016 0.000 1.190 413 A CA 3.291 55.321 52.037 -0.012 0.000 0.617 413 A CB -0.758 18.205 19.000 -0.061 0.000 0.827 413 A HN -0.498 7.677 8.150 0.042 0.000 0.443 414 I N -1.564 118.944 120.570 -0.102 0.000 2.423 414 I HA -0.451 3.716 4.170 -0.004 0.000 0.254 414 I C 1.838 177.974 176.117 0.031 0.000 1.151 414 I CA 3.607 64.844 61.300 -0.105 0.000 1.421 414 I CB -0.347 37.444 38.000 -0.348 0.000 1.079 414 I HN -0.578 7.550 8.210 -0.138 0.000 0.431 415 L N 1.408 122.684 121.223 0.088 0.000 2.072 415 L HA -0.160 4.323 4.340 0.240 0.000 0.205 415 L C 2.157 179.110 176.870 0.137 0.000 1.079 415 L CA 2.819 57.767 54.840 0.179 0.000 0.752 415 L CB -0.545 41.654 42.059 0.235 0.000 0.906 415 L HN 0.094 8.232 8.230 0.079 0.139 0.436 416 I N -1.288 119.341 120.570 0.097 0.000 2.163 416 I HA -0.481 3.732 4.170 0.072 0.000 0.243 416 I C 2.429 178.592 176.117 0.077 0.000 1.085 416 I CA 3.192 64.535 61.300 0.073 0.000 1.347 416 I CB -1.650 36.376 38.000 0.044 0.000 1.044 416 I HN -0.233 8.028 8.210 0.085 0.000 0.408 417 G N -0.497 108.358 108.800 0.092 0.000 2.433 417 G HA2 -0.306 3.692 3.960 0.063 0.000 0.216 417 G HA3 -0.306 3.731 3.960 0.129 0.000 0.216 417 G C 1.455 176.398 174.900 0.072 0.000 1.186 417 G CA 2.091 47.245 45.100 0.089 0.000 0.779 417 G HN -0.358 7.992 8.290 0.100 0.000 0.543 418 L N 1.814 123.094 121.223 0.096 0.000 2.046 418 L HA -0.081 4.293 4.340 0.057 0.000 0.208 418 L C 2.284 179.230 176.870 0.127 0.000 1.077 418 L CA 2.242 57.144 54.840 0.104 0.000 0.747 418 L CB -1.058 41.094 42.059 0.155 0.000 0.896 418 L HN -0.339 7.961 8.230 0.117 0.000 0.432 419 C N -0.848 118.532 119.300 0.134 0.000 2.401 419 C HA -0.410 4.131 4.460 0.135 0.000 0.276 419 C C 2.239 177.276 174.990 0.078 0.000 1.233 419 C CA 3.879 62.965 59.018 0.114 0.000 1.753 419 C CB -1.033 26.768 27.740 0.101 0.000 2.029 419 C HN 0.294 8.496 8.230 0.139 0.111 0.478 420 L N -0.238 121.020 121.223 0.058 0.000 1.955 420 L HA -0.427 3.933 4.340 0.033 0.000 0.213 420 L C 1.444 178.325 176.870 0.019 0.000 1.072 420 L CA 4.087 58.947 54.840 0.033 0.000 0.755 420 L CB -0.081 41.991 42.059 0.022 0.000 0.888 420 L HN -0.360 7.815 8.230 0.064 0.093 0.432 421 T N 0.093 114.653 114.554 0.010 0.000 2.674 421 T HA -0.496 3.829 4.350 -0.041 0.000 0.265 421 T C 2.283 176.986 174.700 0.005 0.000 1.039 421 T CA 4.103 66.194 62.100 -0.015 0.000 1.150 421 T CB -0.333 68.517 68.868 -0.030 0.000 0.864 421 T HN -0.740 7.510 8.240 0.016 0.000 0.427 422 L N 1.560 122.817 121.223 0.057 0.000 2.081 422 L HA -0.293 4.101 4.340 0.090 0.000 0.212 422 L C 2.261 179.179 176.870 0.081 0.000 1.080 422 L CA 2.727 57.628 54.840 0.102 0.000 0.754 422 L CB -1.030 41.147 42.059 0.196 0.000 0.893 422 L HN 0.362 8.634 8.230 0.070 0.000 0.433 423 L N -0.998 120.263 121.223 0.063 0.000 2.005 423 L HA -0.396 3.984 4.340 0.067 0.000 0.207 423 L C 1.617 178.514 176.870 0.044 0.000 1.072 423 L CA 3.422 58.296 54.840 0.056 0.000 0.744 423 L CB -0.230 41.858 42.059 0.049 0.000 0.895 423 L HN 0.060 8.117 8.230 0.060 0.209 0.433 424 L N -1.413 119.811 121.223 0.002 0.000 2.013 424 L HA -0.442 3.901 4.340 0.005 0.000 0.212 424 L C 2.407 179.226 176.870 -0.086 0.000 1.073 424 L CA 3.943 58.750 54.840 -0.055 0.000 0.753 424 L CB -0.216 41.756 42.059 -0.145 0.000 0.890 424 L HN -0.609 7.618 8.230 -0.004 0.000 0.432 425 L N -4.108 117.065 121.223 -0.085 0.000 2.313 425 L HA -0.305 3.967 4.340 -0.114 0.000 0.214 425 L C 1.835 178.764 176.870 0.099 0.000 1.119 425 L CA 2.688 57.507 54.840 -0.035 0.000 0.809 425 L CB -0.907 41.131 42.059 -0.034 0.000 0.933 425 L HN -0.384 7.807 8.230 -0.065 0.000 0.449 426 A N -0.263 122.614 122.820 0.094 0.000 1.930 426 A HA -0.238 4.148 4.320 0.110 0.000 0.217 426 A C 1.546 179.204 177.584 0.122 0.000 1.175 426 A CA 2.823 54.925 52.037 0.107 0.000 0.627 426 A CB -0.390 18.665 19.000 0.091 0.000 0.815 426 A HN -0.165 7.791 8.150 0.068 0.235 0.443 427 I N -2.921 117.738 120.570 0.149 0.000 2.716 427 I HA -0.246 3.988 4.170 0.107 0.000 0.259 427 I C 1.206 177.453 176.117 0.218 0.000 1.172 427 I CA 1.857 63.251 61.300 0.158 0.000 1.478 427 I CB 0.414 38.506 38.000 0.153 0.000 1.104 427 I HN -0.249 8.046 8.210 0.142 0.000 0.439 428 F N -0.864 119.100 119.950 0.022 0.000 2.075 428 F HA -0.332 4.204 4.527 0.016 0.000 0.297 428 F C 0.772 176.583 175.800 0.018 0.000 1.113 428 F CA 2.694 60.705 58.000 0.019 0.000 1.218 428 F CB 0.707 39.718 39.000 0.018 0.000 0.984 428 F HN -0.529 7.892 8.300 0.410 0.125 0.472 429 K N -8.544 111.982 120.400 0.209 0.000 2.432 429 K HA 0.042 4.407 4.320 0.074 0.000 0.143 429 K C -0.966 175.696 176.600 0.104 0.000 2.184 429 K CA 0.581 56.936 56.287 0.112 0.000 1.300 429 K CB 1.617 34.172 32.500 0.093 0.000 2.435 429 K HN -0.452 7.947 8.250 0.249 0.000 0.512 430 K N -1.476 118.997 120.400 0.121 0.000 2.594 430 K HA 0.164 4.544 4.320 0.101 0.000 0.262 430 K C -1.165 175.491 176.600 0.094 0.000 0.954 430 K CA 0.144 56.490 56.287 0.100 0.000 0.917 430 K CB 2.208 34.757 32.500 0.081 0.000 1.343 430 K HN -0.581 7.762 8.250 0.155 0.000 0.428 431 A N 3.607 126.485 122.820 0.097 0.000 1.877 431 A HA -0.156 4.197 4.320 0.056 0.000 0.216 431 A C -0.409 177.204 177.584 0.049 0.000 1.186 431 A CA 2.061 54.145 52.037 0.078 0.000 0.620 431 A CB 0.428 19.500 19.000 0.121 0.000 0.822 431 A HN 0.471 8.689 8.150 0.114 0.000 0.443 432 L N -10.357 110.900 121.223 0.056 0.000 2.376 432 L HA 0.526 4.879 4.340 0.022 0.000 0.258 432 L C -2.203 174.695 176.870 0.046 0.000 1.013 432 L CA -3.211 51.648 54.840 0.031 0.000 0.822 432 L CB 0.336 42.390 42.059 -0.008 0.000 1.388 432 L HN -0.609 7.671 8.230 0.083 0.000 0.413 433 P HA -0.063 4.383 4.420 0.044 0.000 0.230 433 P C -0.004 177.325 177.300 0.048 0.000 1.158 433 P CA 1.215 64.340 63.100 0.041 0.000 0.769 433 P CB 0.113 31.832 31.700 0.033 0.000 0.807 434 A N 0.333 123.184 122.820 0.052 0.000 1.837 434 A HA -0.195 4.163 4.320 0.063 0.000 0.216 434 A C -0.049 177.580 177.584 0.076 0.000 1.210 434 A CA 2.149 54.226 52.037 0.066 0.000 0.632 434 A CB -0.182 18.859 19.000 0.068 0.000 0.843 434 A HN -0.200 7.916 8.150 0.043 0.060 0.448 435 L N -4.719 116.560 121.223 0.094 0.000 2.327 435 L HA 0.376 4.760 4.340 0.074 0.000 0.258 435 L C -2.054 174.871 176.870 0.092 0.000 1.024 435 L CA -3.060 51.836 54.840 0.093 0.000 0.825 435 L CB 2.276 44.402 42.059 0.111 0.000 1.386 435 L HN -0.570 7.724 8.230 0.106 0.000 0.417 436 P HA 0.072 4.532 4.420 0.066 0.000 0.252 436 P C -1.154 176.188 177.300 0.070 0.000 1.694 436 P CA -0.304 62.834 63.100 0.064 0.000 1.163 436 P CB -1.717 30.011 31.700 0.045 0.000 1.934 437 I N -0.619 120.010 120.570 0.098 0.000 7.772 437 I HA -0.487 3.773 4.170 0.150 0.000 0.126 437 I C -1.319 174.841 176.117 0.073 0.000 1.801 437 I CA 1.067 62.430 61.300 0.104 0.000 2.133 437 I CB -1.761 36.284 38.000 0.075 0.000 3.629 437 I HN -0.053 8.191 8.210 0.110 0.032 0.198 438 S N 2.229 117.994 115.700 0.108 0.000 2.472 438 S HA 0.211 4.670 4.470 -0.018 0.000 0.303 438 S C -0.078 174.418 174.600 -0.173 0.000 1.099 438 S CA -0.674 57.536 58.200 0.017 0.000 1.077 438 S CB 1.544 64.794 63.200 0.084 0.000 1.031 438 S HN -0.007 8.434 8.310 0.217 0.000 0.487 439 I N 7.637 128.064 120.570 -0.239 0.000 2.479 439 I HA 0.181 3.987 4.170 -0.606 0.000 0.279 439 I C -0.850 175.024 176.117 -0.404 0.000 1.102 439 I CA -1.006 60.062 61.300 -0.385 0.000 1.196 439 I CB -0.545 37.310 38.000 -0.242 0.000 1.427 439 I HN 0.310 8.422 8.210 -0.163 0.000 0.503 440 T N 1.265 115.516 114.554 -0.506 0.000 2.905 440 T HA 0.200 4.255 4.350 -0.492 0.000 0.283 440 T C -0.456 174.014 174.700 -0.383 0.000 1.031 440 T CA -2.297 59.559 62.100 -0.408 0.000 1.002 440 T CB 2.154 70.924 68.868 -0.163 0.000 1.200 440 T HN -0.614 7.178 8.240 -0.746 0.000 0.560 441 F N -1.668 118.224 119.950 -0.097 0.000 2.629 441 F HA -0.057 4.434 4.527 -0.060 0.000 0.377 441 F C 1.941 177.677 175.800 -0.105 0.000 1.101 441 F CA 0.636 58.591 58.000 -0.075 0.000 1.301 441 F CB 0.110 39.077 39.000 -0.056 0.000 1.062 441 F HN -0.038 7.983 8.300 -0.466 0.000 0.583 442 G N 1.569 110.393 108.800 0.041 0.000 2.501 442 G HA2 -0.397 2.986 3.960 -0.962 0.000 0.220 442 G HA3 -0.397 3.185 3.960 -0.630 0.000 0.220 442 G C 1.355 176.162 174.900 -0.155 0.000 1.114 442 G CA 1.768 46.535 45.100 -0.556 0.000 0.757 442 G HN 0.595 9.013 8.290 0.213 0.000 0.559 443 L N 1.367 122.666 121.223 0.127 0.000 1.932 443 L HA -0.268 4.126 4.340 0.091 0.000 0.217 443 L C 1.304 178.166 176.870 -0.015 0.000 1.077 443 L CA 3.053 57.906 54.840 0.020 0.000 0.765 443 L CB -0.220 41.768 42.059 -0.118 0.000 0.888 443 L HN -0.371 7.912 8.230 0.176 0.053 0.433 444 V N -2.530 117.413 119.914 0.048 0.000 2.626 444 V HA -0.372 3.810 4.120 0.103 0.000 0.252 444 V C 2.205 178.460 176.094 0.268 0.000 1.067 444 V CA 2.990 65.374 62.300 0.141 0.000 1.081 444 V CB -0.599 31.313 31.823 0.149 0.000 0.686 444 V HN -0.584 7.650 8.190 0.074 0.000 0.468 445 F N 2.328 122.309 119.950 0.052 0.000 2.022 445 F HA -0.417 4.158 4.527 0.080 0.000 0.293 445 F C 1.410 177.315 175.800 0.175 0.000 1.142 445 F CA 4.077 62.098 58.000 0.035 0.000 1.177 445 F CB 0.036 38.951 39.000 -0.140 0.000 0.982 445 F HN -0.404 8.031 8.300 0.272 0.029 0.473 446 Y N -2.972 117.507 120.300 0.298 0.000 2.081 446 Y HA -0.498 4.033 4.550 -0.032 0.000 0.280 446 Y C 2.620 178.602 175.900 0.136 0.000 1.163 446 Y CA 1.464 59.658 58.100 0.157 0.000 1.135 446 Y CB -1.220 37.404 38.460 0.275 0.000 0.970 446 Y HN -0.113 8.028 8.280 -0.024 0.124 0.498 447 F N -3.528 116.535 119.950 0.189 0.000 2.154 447 F HA -0.323 4.235 4.527 0.051 0.000 0.301 447 F C 1.720 177.521 175.800 0.002 0.000 1.087 447 F CA 3.183 61.247 58.000 0.108 0.000 1.274 447 F CB -0.601 38.532 39.000 0.222 0.000 1.009 447 F HN -0.524 8.307 8.300 0.884 0.000 0.485 448 A N -4.716 118.248 122.820 0.240 0.000 2.067 448 A HA -0.027 4.445 4.320 0.255 0.000 0.217 448 A C 1.072 178.657 177.584 0.001 0.000 1.156 448 A CA 2.151 54.281 52.037 0.154 0.000 0.683 448 A CB -0.562 18.531 19.000 0.155 0.000 0.808 448 A HN -0.417 7.801 8.150 0.290 0.105 0.455 449 T N -0.637 113.853 114.554 -0.106 0.000 3.057 449 T HA -0.161 4.108 4.350 -0.136 0.000 0.254 449 T C 1.238 175.824 174.700 -0.191 0.000 1.094 449 T CA 3.115 65.116 62.100 -0.164 0.000 1.088 449 T CB 0.229 68.959 68.868 -0.230 0.000 0.934 449 T HN -0.397 7.628 8.240 -0.055 0.182 0.497 450 D N 2.298 122.504 120.400 -0.323 0.000 2.228 450 D HA -0.213 4.225 4.640 -0.336 0.000 0.203 450 D C 0.454 176.474 176.300 -0.467 0.000 0.988 450 D CA 2.789 56.496 54.000 -0.489 0.000 0.864 450 D CB -0.107 40.245 40.800 -0.747 0.000 0.928 450 D HN -0.153 7.884 8.370 -0.287 0.161 0.469 451 Y N -4.576 115.687 120.300 -0.061 0.000 2.625 451 Y HA 0.092 4.597 4.550 -0.075 0.000 0.285 451 Y C -0.735 175.134 175.900 -0.053 0.000 1.168 451 Y CA -0.213 57.852 58.100 -0.059 0.000 1.250 451 Y CB -0.040 38.395 38.460 -0.041 0.000 1.130 451 Y HN -0.560 7.460 8.280 -0.370 0.037 0.526 452 L N -2.743 118.486 121.223 0.011 0.000 3.358 452 L HA 0.092 4.442 4.340 0.016 0.000 0.169 452 L C 0.167 177.010 176.870 -0.046 0.000 1.158 452 L CA 0.846 55.682 54.840 -0.007 0.000 0.861 452 L CB 1.694 43.742 42.059 -0.017 0.000 1.597 452 L HN 0.247 8.240 8.230 -0.065 0.197 0.580 453 V N -4.011 115.856 119.914 -0.077 0.000 3.048 453 V HA 0.022 4.097 4.120 -0.076 0.000 0.241 453 V C -0.951 175.073 176.094 -0.118 0.000 1.129 453 V CA 0.261 62.509 62.300 -0.088 0.000 1.128 453 V CB 1.711 33.486 31.823 -0.081 0.000 0.849 453 V HN -0.368 7.767 8.190 -0.092 0.000 0.475 454 Q N -3.311 116.405 119.800 -0.140 0.000 2.369 454 Q HA -0.302 3.927 4.340 -0.186 0.000 0.339 454 Q C -2.314 173.584 176.000 -0.171 0.000 1.305 454 Q CA -0.165 55.535 55.803 -0.171 0.000 0.876 454 Q CB -2.020 26.607 28.738 -0.185 0.000 1.016 454 Q HN -0.228 7.864 8.270 -0.137 0.096 0.313 455 P HA 0.049 4.359 4.420 -0.184 0.000 0.296 455 P C 0.269 177.440 177.300 -0.214 0.000 1.295 455 P CA -1.386 61.590 63.100 -0.207 0.000 0.754 455 P CB 0.819 32.343 31.700 -0.293 0.000 1.311 456 F N -1.348 118.409 119.950 -0.322 0.000 2.287 456 F HA -0.445 3.962 4.527 -0.199 0.000 0.301 456 F C 1.573 177.220 175.800 -0.255 0.000 1.069 456 F CA 3.340 61.180 58.000 -0.267 0.000 1.372 456 F CB -0.397 38.438 39.000 -0.276 0.000 1.056 456 F HN 0.415 8.626 8.300 -0.148 0.000 0.523 457 M N -2.961 116.569 119.600 -0.116 0.000 2.260 457 M HA -0.416 4.043 4.480 -0.034 0.000 0.261 457 M C 0.951 177.220 176.300 -0.052 0.000 1.066 457 M CA 2.540 57.793 55.300 -0.078 0.000 1.082 457 M CB -1.443 31.113 32.600 -0.073 0.000 1.388 457 M HN -0.364 7.710 8.290 -0.284 0.045 0.419 458 D N -1.222 119.116 120.400 -0.103 0.000 2.106 458 D HA -0.389 4.153 4.640 -0.163 0.000 0.191 458 D C 2.309 178.540 176.300 -0.114 0.000 0.997 458 D CA 3.825 57.743 54.000 -0.136 0.000 0.834 458 D CB 0.323 41.018 40.800 -0.175 0.000 0.956 458 D HN -0.030 8.116 8.370 -0.126 0.149 0.448 459 Q N -2.055 117.711 119.800 -0.057 0.000 2.036 459 Q HA -0.125 4.061 4.340 -0.257 0.000 0.195 459 Q C 2.726 178.766 176.000 0.066 0.000 0.971 459 Q CA 2.211 57.976 55.803 -0.063 0.000 0.826 459 Q CB 0.154 28.916 28.738 0.040 0.000 0.896 459 Q HN -0.649 7.614 8.270 -0.012 0.000 0.449 460 L N -0.383 120.928 121.223 0.146 0.000 1.956 460 L HA -0.321 4.094 4.340 0.126 0.000 0.216 460 L C 1.585 178.565 176.870 0.184 0.000 1.073 460 L CA 3.258 58.169 54.840 0.120 0.000 0.762 460 L CB 0.050 42.106 42.059 -0.005 0.000 0.889 460 L HN -0.307 8.060 8.230 0.228 0.000 0.433 461 A N -4.240 118.670 122.820 0.151 0.000 2.209 461 A HA -0.147 4.295 4.320 0.205 0.000 0.212 461 A C -0.259 177.506 177.584 0.302 0.000 1.158 461 A CA 0.216 52.368 52.037 0.191 0.000 0.742 461 A CB 0.027 19.108 19.000 0.136 0.000 0.790 461 A HN -0.557 7.555 8.150 0.094 0.095 0.472 462 F N -3.936 116.059 119.950 0.075 0.000 2.183 462 F HA -0.530 4.221 4.527 0.113 -0.156 0.318 462 F C -0.462 175.420 175.800 0.136 0.000 0.129 462 F CA 0.823 58.898 58.000 0.125 0.000 0.912 462 F CB -0.872 38.228 39.000 0.166 0.000 4.134 462 F HN -0.985 7.308 8.300 0.204 0.130 0.137 463 H N -0.088 119.149 119.070 0.279 0.000 2.983 463 H HA -0.129 4.409 4.556 -0.029 0.000 0.361 463 H C -0.381 174.989 175.328 0.070 0.000 1.145 463 H CA 0.819 56.922 56.048 0.093 0.000 1.404 463 H CB 0.927 30.735 29.762 0.077 0.000 1.356 463 H HN 0.085 8.822 8.280 0.762 0.000 0.612 464 Q N 1.264 120.993 119.800 -0.118 0.000 2.414 464 Q HA -0.184 4.048 4.340 -0.180 0.000 0.288 464 Q C -1.613 174.340 176.000 -0.078 0.000 1.086 464 Q CA 1.273 57.001 55.803 -0.126 0.000 0.943 464 Q CB 0.436 29.086 28.738 -0.146 0.000 1.282 464 Q HN 0.282 8.357 8.270 -0.325 0.000 0.438 465 F N 2.262 122.235 119.950 0.039 0.000 2.370 465 F HA 0.020 4.582 4.527 0.059 0.000 0.356 465 F C -0.978 174.952 175.800 0.217 0.000 0.820 465 F CA 0.554 58.611 58.000 0.096 0.000 1.018 465 F CB 1.389 40.440 39.000 0.085 0.000 1.050 465 F HN 0.214 8.607 8.300 0.154 0.000 0.646 466 Y N -0.911 119.614 120.300 0.375 0.000 2.499 466 Y HA -0.365 4.615 4.550 0.717 0.000 0.124 466 Y C -0.336 175.735 175.900 0.285 0.000 1.694 466 Y CA -0.009 58.344 58.100 0.422 0.000 1.424 466 Y CB 0.001 38.620 38.460 0.264 0.000 2.069 466 Y HN -0.672 7.942 8.280 0.556 0.000 0.253 467 I N 0.000 120.581 120.570 0.018 0.000 2.984 467 I HA 0.000 4.187 4.170 0.028 0.000 0.288 467 I CA 0.000 61.304 61.300 0.007 0.000 1.566 467 I CB 0.000 37.923 38.000 -0.128 0.000 1.214 467 I HN 0.000 7.917 8.210 -0.488 0.000 0.494