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 2bv0_1_B DATA FIRST_RESID 303 DATA SEQUENCE IIWGAYAQRN TEDHPPAYAP GYKTSVLRSP KNALISIAET LSEVTAPHFS DATA SEQUENCE ADKFGPKDND LILNYAKDGL PIGERVIVHG YVRDQFGRPV KNALVEVWQA DATA SEQUENCE NASGRYRHPN DQYIGAMDPN FGGCGRMLTD DNGYYVFRTI KPGPYPWRNR DATA SEQUENCE INEWRPAHIH FSLIADGWAQ RLISQFYFEG DTLIDSCPIL KTIPSEQQRR DATA SEQUENCE ALIALEDKSN FIEADSRCYR FDITLRGRRA TYFENDLT 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 303 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 303 I C 0.000 175.734 176.117 -0.639 0.000 1.063 303 I CA 0.000 60.988 61.300 -0.521 0.000 1.566 303 I CB 0.000 37.638 38.000 -0.603 0.000 1.214 304 I N 4.263 124.426 120.570 -0.678 0.000 2.339 304 I HA 0.322 4.492 4.170 0.001 0.000 0.290 304 I C -0.626 175.141 176.117 -0.584 0.000 0.994 304 I CA -0.261 60.746 61.300 -0.489 0.000 1.191 304 I CB 0.932 38.735 38.000 -0.327 0.000 1.343 304 I HN 0.435 8.645 8.210 -0.000 0.000 0.458 305 W N 4.616 125.833 121.300 -0.138 0.000 2.261 305 W HA 0.541 5.201 4.660 0.000 0.000 0.323 305 W C 0.953 177.403 176.519 -0.115 0.000 1.243 305 W CA -0.138 57.125 57.345 -0.137 0.000 1.210 305 W CB 0.952 30.347 29.460 -0.109 0.000 1.149 305 W HN 0.542 8.722 8.180 -0.000 0.000 0.562 306 G N 0.453 109.350 108.800 0.162 0.000 3.019 306 G HA2 0.667 4.627 3.960 0.001 0.000 0.152 306 G HA3 0.667 4.627 3.960 0.001 0.000 0.152 306 G C -0.843 174.103 174.900 0.077 0.000 1.320 306 G CA -0.589 44.560 45.100 0.081 0.000 1.013 306 G HN 0.679 8.969 8.290 -0.000 0.000 0.593 307 A N -1.648 121.215 122.820 0.072 0.000 2.271 307 A HA 0.659 4.979 4.320 0.001 0.000 0.288 307 A C -0.860 176.739 177.584 0.025 0.000 1.094 307 A CA -0.502 51.585 52.037 0.084 0.000 0.828 307 A CB 0.153 19.230 19.000 0.129 0.000 1.091 307 A HN 0.453 8.603 8.150 -0.000 0.000 0.493 308 Y N 0.189 120.564 120.300 0.125 0.000 2.457 308 Y HA 0.335 4.886 4.550 0.001 0.000 0.341 308 Y C 1.270 177.258 175.900 0.147 0.000 1.240 308 Y CA 0.912 59.092 58.100 0.134 0.000 1.437 308 Y CB 0.547 39.056 38.460 0.082 0.000 1.328 308 Y HN 0.807 9.087 8.280 -0.000 0.000 0.588 309 A N 2.995 125.999 122.820 0.306 0.000 2.483 309 A HA 0.060 4.380 4.320 0.001 0.000 0.238 309 A C 0.207 177.907 177.584 0.193 0.000 1.070 309 A CA -0.562 51.625 52.037 0.250 0.000 0.770 309 A CB -0.043 19.111 19.000 0.258 0.000 1.008 309 A HN 0.801 8.951 8.150 -0.000 0.000 0.497 310 Q N 0.753 120.643 119.800 0.150 0.000 2.333 310 Q HA 0.029 4.369 4.340 0.001 0.000 0.299 310 Q C 0.417 176.474 176.000 0.094 0.000 1.067 310 Q CA 0.107 55.977 55.803 0.112 0.000 0.943 310 Q CB 0.363 29.158 28.738 0.096 0.000 1.233 310 Q HN 0.692 8.961 8.270 -0.000 0.000 0.401 311 R N 3.599 124.142 120.500 0.071 0.000 2.442 311 R HA -0.007 4.334 4.340 0.001 0.000 0.291 311 R C -0.550 175.806 176.300 0.093 0.000 1.069 311 R CA 0.177 56.319 56.100 0.070 0.000 1.022 311 R CB 0.337 30.640 30.300 0.005 0.000 0.976 311 R HN 0.752 9.022 8.270 -0.000 0.000 0.443 312 N N 2.579 121.354 118.700 0.126 0.000 2.439 312 N HA -0.026 4.715 4.740 0.001 0.000 0.243 312 N C 0.827 176.435 175.510 0.165 0.000 1.088 312 N CA -0.293 52.822 53.050 0.109 0.000 0.940 312 N CB 0.876 39.405 38.487 0.069 0.000 1.180 312 N HN 0.766 9.146 8.380 -0.000 0.000 0.505 313 T N 0.503 115.134 114.554 0.128 0.000 2.929 313 T HA -0.139 4.212 4.350 0.001 0.000 0.271 313 T C 0.948 175.724 174.700 0.126 0.000 1.085 313 T CA 1.091 63.274 62.100 0.139 0.000 1.125 313 T CB -0.142 68.774 68.868 0.079 0.000 0.874 313 T HN 0.566 8.806 8.240 -0.000 0.000 0.494 314 E N 0.914 121.163 120.200 0.082 0.000 2.511 314 E HA 0.008 4.358 4.350 0.001 0.000 0.196 314 E C 0.897 177.510 176.600 0.022 0.000 1.066 314 E CA 0.353 56.785 56.400 0.052 0.000 0.871 314 E CB 0.090 29.812 29.700 0.036 0.000 0.863 314 E HN 0.485 8.845 8.360 -0.000 0.000 0.520 315 D N -0.386 120.014 120.400 0.000 0.000 2.340 315 D HA 0.067 4.707 4.640 0.001 0.000 0.217 315 D C 0.076 176.186 176.300 -0.318 0.000 1.081 315 D CA 0.383 54.298 54.000 -0.141 0.000 0.842 315 D CB 0.338 41.020 40.800 -0.198 0.000 0.934 315 D HN 0.172 8.542 8.370 -0.000 0.000 0.511 316 H N -0.497 118.584 119.070 0.019 0.000 2.907 316 H HA 0.330 4.887 4.556 0.002 0.000 0.361 316 H C -2.263 173.079 175.328 0.023 0.000 1.194 316 H CA -1.623 54.437 56.048 0.019 0.000 1.152 316 H CB 1.961 31.730 29.762 0.012 0.000 1.867 316 H HN -0.162 8.118 8.280 -0.000 0.000 0.561 317 P HA 0.102 4.522 4.420 -0.000 0.000 0.272 317 P C -2.442 174.921 177.300 0.105 0.000 1.230 317 P CA -1.098 62.066 63.100 0.107 0.000 0.788 317 P CB 0.213 31.971 31.700 0.098 0.000 0.949 318 P HA 0.177 4.597 4.420 -0.000 0.000 0.278 318 P C 0.364 177.717 177.300 0.088 0.000 1.266 318 P CA -0.380 62.772 63.100 0.087 0.000 0.807 318 P CB 0.821 32.576 31.700 0.092 0.000 1.094 319 A N 1.034 123.909 122.820 0.091 0.000 1.897 319 A HA -0.129 4.192 4.320 0.001 0.000 0.215 319 A C 0.901 178.558 177.584 0.122 0.000 1.181 319 A CA 1.110 53.201 52.037 0.089 0.000 0.620 319 A CB -1.233 17.812 19.000 0.075 0.000 0.821 319 A HN 0.634 8.784 8.150 -0.000 0.000 0.443 320 Y N 0.332 120.641 120.300 0.014 0.000 2.383 320 Y HA 0.481 5.032 4.550 0.001 0.000 0.344 320 Y C -0.070 175.848 175.900 0.029 0.000 0.986 320 Y CA -1.008 57.096 58.100 0.008 0.000 1.175 320 Y CB 0.507 38.969 38.460 0.003 0.000 1.152 320 Y HN 0.246 8.526 8.280 -0.000 0.000 0.511 321 A N 9.340 131.914 122.820 -0.409 0.000 2.855 321 A HA 0.371 4.692 4.320 0.001 0.000 0.313 321 A C -2.146 175.213 177.584 -0.374 0.000 1.173 321 A CA -1.274 50.596 52.037 -0.278 0.000 0.753 321 A CB 0.493 19.480 19.000 -0.022 0.000 1.200 321 A HN 0.611 8.761 8.150 -0.000 0.000 0.442 322 P HA -0.195 4.225 4.420 -0.000 0.000 0.218 322 P C 1.526 178.744 177.300 -0.137 0.000 1.146 322 P CA 2.093 64.960 63.100 -0.387 0.000 0.820 322 P CB 0.100 31.605 31.700 -0.324 0.000 0.778 323 G N -1.980 106.780 108.800 -0.067 0.000 2.509 323 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 323 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 323 G C 0.250 175.210 174.900 0.100 0.000 1.124 323 G CA 0.108 45.210 45.100 0.003 0.000 0.776 323 G HN 0.270 8.560 8.290 -0.000 0.000 0.547 324 Y N 1.800 122.077 120.300 -0.038 0.000 2.717 324 Y HA 0.438 4.989 4.550 0.001 0.000 0.329 324 Y C 1.293 177.200 175.900 0.011 0.000 1.017 324 Y CA -2.028 56.102 58.100 0.050 0.000 1.275 324 Y CB 0.170 38.668 38.460 0.063 0.000 1.109 324 Y HN 0.014 8.294 8.280 -0.000 0.000 0.511 325 K N 1.459 121.915 120.400 0.094 0.000 2.113 325 K HA -0.152 4.168 4.320 0.001 0.000 0.208 325 K C 1.558 178.074 176.600 -0.140 0.000 1.047 325 K CA 2.082 58.341 56.287 -0.046 0.000 0.928 325 K CB 0.063 32.549 32.500 -0.024 0.000 0.716 325 K HN 0.524 8.774 8.250 -0.000 0.000 0.446 326 T N 0.770 115.192 114.554 -0.221 0.000 2.929 326 T HA -0.131 4.220 4.350 0.001 0.000 0.271 326 T C 1.992 176.479 174.700 -0.355 0.000 1.085 326 T CA 1.551 63.494 62.100 -0.261 0.000 1.125 326 T CB -0.239 68.501 68.868 -0.213 0.000 0.874 326 T HN 0.404 8.644 8.240 -0.000 0.000 0.494 327 S N 1.008 116.379 115.700 -0.548 0.000 2.481 327 S HA -0.039 4.431 4.470 0.001 0.000 0.231 327 S C 2.071 176.611 174.600 -0.100 0.000 0.996 327 S CA 0.401 58.401 58.200 -0.333 0.000 0.942 327 S CB -0.697 62.303 63.200 -0.333 0.000 0.768 327 S HN 0.313 8.623 8.310 -0.000 0.000 0.520 328 V N 1.628 121.496 119.914 -0.076 0.000 2.392 328 V HA -0.076 4.045 4.120 0.001 0.000 0.249 328 V C 2.191 178.352 176.094 0.112 0.000 1.059 328 V CA 1.792 64.159 62.300 0.112 0.000 1.051 328 V CB -0.646 31.224 31.823 0.079 0.000 0.658 328 V HN 0.541 8.731 8.190 -0.000 0.000 0.455 329 L N -1.026 120.212 121.223 0.025 0.000 2.640 329 L HA 0.241 4.581 4.340 0.001 0.000 0.230 329 L C 1.501 178.371 176.870 0.000 0.000 1.123 329 L CA 0.254 55.103 54.840 0.015 0.000 0.900 329 L CB 0.069 42.128 42.059 -0.000 0.000 1.146 329 L HN 0.149 8.379 8.230 -0.000 0.000 0.484 330 R N -0.259 120.234 120.500 -0.011 0.000 2.700 330 R HA 0.197 4.538 4.340 0.001 0.000 0.377 330 R C -0.214 176.086 176.300 -0.001 0.000 1.130 330 R CA -0.106 55.983 56.100 -0.019 0.000 1.055 330 R CB 0.769 31.040 30.300 -0.048 0.000 1.387 330 R HN 0.119 8.389 8.270 -0.000 0.000 0.580 331 S N 0.335 116.054 115.700 0.032 0.000 2.521 331 S HA 0.563 5.033 4.470 0.001 0.000 0.295 331 S C -2.372 172.247 174.600 0.031 0.000 1.098 331 S CA -1.562 56.670 58.200 0.052 0.000 0.999 331 S CB 2.040 65.321 63.200 0.135 0.000 1.034 331 S HN -0.046 8.264 8.310 -0.000 0.000 0.483 332 P HA 0.206 4.626 4.420 -0.000 0.000 0.269 332 P C 0.187 177.478 177.300 -0.016 0.000 1.209 332 P CA -0.430 62.670 63.100 -0.000 0.000 0.776 332 P CB 0.933 32.634 31.700 0.002 0.000 0.876 333 K N 1.840 122.219 120.400 -0.034 0.000 2.137 333 K HA 0.006 4.326 4.320 0.001 0.000 0.202 333 K C 0.597 177.173 176.600 -0.041 0.000 1.052 333 K CA 0.415 56.666 56.287 -0.060 0.000 0.961 333 K CB 0.162 32.624 32.500 -0.062 0.000 0.741 333 K HN 0.444 8.694 8.250 -0.000 0.000 0.452 334 N N 1.071 119.757 118.700 -0.023 0.000 2.503 334 N HA 0.083 4.823 4.740 0.001 0.000 0.267 334 N C -0.608 174.898 175.510 -0.007 0.000 1.214 334 N CA 0.081 53.122 53.050 -0.015 0.000 0.959 334 N CB 1.346 39.827 38.487 -0.009 0.000 1.142 334 N HN 0.170 8.550 8.380 -0.000 0.000 0.455 335 A N 1.805 124.623 122.820 -0.003 0.000 2.466 335 A HA 0.189 4.509 4.320 0.001 0.000 0.238 335 A C 0.612 178.200 177.584 0.007 0.000 1.074 335 A CA -0.232 51.808 52.037 0.005 0.000 0.774 335 A CB 0.004 19.009 19.000 0.007 0.000 1.015 335 A HN 0.632 8.782 8.150 -0.000 0.000 0.498 336 L N 1.607 122.836 121.223 0.009 0.000 2.456 336 L HA 0.145 4.486 4.340 0.001 0.000 0.272 336 L C 0.015 176.892 176.870 0.012 0.000 1.189 336 L CA 0.131 54.977 54.840 0.009 0.000 0.846 336 L CB 0.265 42.328 42.059 0.006 0.000 1.111 336 L HN 0.524 8.754 8.230 -0.000 0.000 0.475 337 I N 2.133 122.711 120.570 0.014 0.000 2.312 337 I HA 0.093 4.264 4.170 0.001 0.000 0.291 337 I C 0.267 176.397 176.117 0.022 0.000 1.031 337 I CA 0.031 61.341 61.300 0.018 0.000 1.293 337 I CB 1.067 39.077 38.000 0.018 0.000 1.403 337 I HN 0.579 8.789 8.210 -0.000 0.000 0.484 338 S N 7.552 123.267 115.700 0.025 0.000 2.523 338 S HA 0.521 4.992 4.470 0.001 0.000 0.275 338 S C -0.081 174.541 174.600 0.036 0.000 1.281 338 S CA -0.529 57.690 58.200 0.031 0.000 1.050 338 S CB 0.715 63.935 63.200 0.034 0.000 0.937 338 S HN 0.516 8.826 8.310 -0.000 0.000 0.492 339 I N -0.171 120.425 120.570 0.043 0.000 2.797 339 I HA 0.907 5.077 4.170 0.001 0.000 0.307 339 I C -0.117 176.035 176.117 0.058 0.000 1.033 339 I CA -1.476 59.852 61.300 0.047 0.000 1.071 339 I CB 1.635 39.664 38.000 0.048 0.000 1.255 339 I HN 0.534 8.744 8.210 -0.000 0.000 0.445 340 A N 3.395 126.250 122.820 0.057 0.000 2.363 340 A HA 0.356 4.676 4.320 0.001 0.000 0.270 340 A C 0.039 177.669 177.584 0.076 0.000 1.121 340 A CA -0.400 51.677 52.037 0.067 0.000 0.800 340 A CB 0.064 19.099 19.000 0.058 0.000 1.052 340 A HN 0.840 8.990 8.150 -0.000 0.000 0.493 341 E N 0.667 120.924 120.200 0.095 0.000 2.383 341 E HA 0.348 4.698 4.350 0.001 0.000 0.264 341 E C 0.549 177.207 176.600 0.096 0.000 1.050 341 E CA 0.446 56.913 56.400 0.110 0.000 0.896 341 E CB 0.723 30.515 29.700 0.154 0.000 0.982 341 E HN 0.805 9.165 8.360 -0.000 0.000 0.424 342 T N -1.365 113.246 114.554 0.094 0.000 2.773 342 T HA 0.302 4.652 4.350 0.001 0.000 0.278 342 T C 1.126 175.878 174.700 0.086 0.000 1.011 342 T CA -0.864 61.283 62.100 0.077 0.000 1.014 342 T CB 0.352 69.255 68.868 0.058 0.000 1.293 342 T HN 0.376 8.616 8.240 -0.000 0.000 0.554 343 L N 0.603 121.867 121.223 0.068 0.000 2.187 343 L HA -0.101 4.240 4.340 0.001 0.000 0.213 343 L C 2.921 179.828 176.870 0.061 0.000 1.100 343 L CA 1.172 56.053 54.840 0.067 0.000 0.765 343 L CB -0.699 41.387 42.059 0.045 0.000 0.904 343 L HN 0.731 8.961 8.230 -0.000 0.000 0.437 344 S N -0.235 115.493 115.700 0.047 0.000 2.382 344 S HA -0.178 4.293 4.470 0.001 0.000 0.228 344 S C 1.739 176.385 174.600 0.077 0.000 1.027 344 S CA 1.367 59.581 58.200 0.024 0.000 0.991 344 S CB -0.079 63.129 63.200 0.013 0.000 0.823 344 S HN 0.437 8.747 8.310 -0.000 0.000 0.469 345 E N 0.536 120.815 120.200 0.132 0.000 2.318 345 E HA 0.021 4.371 4.350 0.001 0.000 0.193 345 E C 1.845 178.573 176.600 0.213 0.000 0.998 345 E CA 0.420 56.936 56.400 0.194 0.000 0.859 345 E CB -0.053 29.747 29.700 0.167 0.000 0.812 345 E HN 0.523 8.883 8.360 -0.000 0.000 0.492 346 V N -1.615 118.431 119.914 0.220 0.000 3.647 346 V HA 0.211 4.331 4.120 0.001 0.000 0.279 346 V C 0.752 176.985 176.094 0.232 0.000 1.314 346 V CA 0.465 62.953 62.300 0.313 0.000 1.125 346 V CB -0.679 31.310 31.823 0.277 0.000 0.907 346 V HN 0.126 8.316 8.190 -0.000 0.000 0.434 347 T N -1.429 113.215 114.554 0.150 0.000 2.952 347 T HA 0.902 5.252 4.350 0.001 0.000 0.286 347 T C -0.264 174.482 174.700 0.077 0.000 1.024 347 T CA -0.005 62.149 62.100 0.090 0.000 1.029 347 T CB 2.027 70.921 68.868 0.043 0.000 1.094 347 T HN 1.370 9.610 8.240 -0.000 0.000 0.515 348 A N 1.292 124.113 122.820 0.002 0.000 2.601 348 A HA 0.807 5.128 4.320 0.001 0.000 0.291 348 A C -2.938 174.537 177.584 -0.181 0.000 1.075 348 A CA -1.423 50.613 52.037 -0.002 0.000 0.671 348 A CB 0.275 19.335 19.000 0.100 0.000 1.277 348 A HN 0.809 8.959 8.150 -0.000 0.000 0.417 349 P HA 0.414 4.834 4.420 -0.000 0.000 0.274 349 P C -1.177 175.780 177.300 -0.572 0.000 1.246 349 P CA 0.045 62.924 63.100 -0.369 0.000 0.795 349 P CB 0.455 31.895 31.700 -0.433 0.000 1.006 350 H N 0.303 119.136 119.070 -0.395 0.000 2.489 350 H HA 0.383 4.939 4.556 0.001 0.000 0.343 350 H C -0.704 174.365 175.328 -0.431 0.000 1.086 350 H CA -0.203 55.692 56.048 -0.255 0.000 1.198 350 H CB 0.940 30.649 29.762 -0.088 0.000 1.490 350 H HN 0.307 8.587 8.280 -0.000 0.000 0.504 351 F N 1.371 121.457 119.950 0.226 0.000 2.444 351 F HA 0.175 4.702 4.527 0.001 0.000 0.342 351 F C 0.682 176.645 175.800 0.272 0.000 1.121 351 F CA -0.855 57.285 58.000 0.234 0.000 0.997 351 F CB 1.587 40.757 39.000 0.283 0.000 1.130 351 F HN 0.358 8.658 8.300 -0.000 0.000 0.454 352 S N 1.530 117.464 115.700 0.390 0.000 2.537 352 S HA 0.512 4.983 4.470 0.001 0.000 0.275 352 S C 0.948 175.802 174.600 0.424 0.000 1.272 352 S CA -0.399 57.986 58.200 0.310 0.000 1.050 352 S CB 1.657 64.970 63.200 0.187 0.000 0.961 352 S HN 0.832 9.142 8.310 -0.000 0.000 0.496 353 A N 2.056 125.040 122.820 0.275 0.000 1.978 353 A HA -0.143 4.177 4.320 0.001 0.000 0.220 353 A C 1.755 179.537 177.584 0.330 0.000 1.170 353 A CA 1.631 53.801 52.037 0.221 0.000 0.636 353 A CB -0.832 18.201 19.000 0.055 0.000 0.810 353 A HN 0.881 9.031 8.150 -0.000 0.000 0.448 354 D N -0.093 120.448 120.400 0.235 0.000 2.190 354 D HA -0.144 4.496 4.640 0.001 0.000 0.200 354 D C 1.710 178.116 176.300 0.176 0.000 0.992 354 D CA 1.413 55.517 54.000 0.174 0.000 0.854 354 D CB -0.179 40.695 40.800 0.122 0.000 0.936 354 D HN 0.571 8.941 8.370 -0.000 0.000 0.462 355 K N -0.557 119.966 120.400 0.205 0.000 2.365 355 K HA 0.030 4.350 4.320 0.001 0.000 0.197 355 K C 0.469 177.062 176.600 -0.011 0.000 1.042 355 K CA -0.053 56.273 56.287 0.065 0.000 0.987 355 K CB 0.134 32.626 32.500 -0.012 0.000 0.779 355 K HN 0.073 8.323 8.250 -0.000 0.000 0.484 356 F N 1.240 121.220 119.950 0.050 0.000 2.429 356 F HA 0.185 4.712 4.527 0.001 0.000 0.348 356 F C 1.451 177.273 175.800 0.036 0.000 1.109 356 F CA -0.674 57.349 58.000 0.039 0.000 1.232 356 F CB 0.717 39.743 39.000 0.044 0.000 1.157 356 F HN -0.046 8.254 8.300 -0.000 0.000 0.564 357 G N 2.534 111.429 108.800 0.159 0.000 2.528 357 G HA2 0.323 4.284 3.960 0.001 0.000 0.289 357 G HA3 0.323 4.284 3.960 0.001 0.000 0.289 357 G C -1.695 173.283 174.900 0.131 0.000 1.192 357 G CA -1.166 44.002 45.100 0.113 0.000 0.921 357 G HN 0.451 8.741 8.290 -0.000 0.000 0.512 358 P HA -0.048 4.372 4.420 -0.000 0.000 0.220 358 P C 0.841 178.196 177.300 0.092 0.000 1.148 358 P CA 1.145 64.299 63.100 0.090 0.000 0.803 358 P CB 0.378 32.119 31.700 0.069 0.000 0.782 359 K N -0.575 119.877 120.400 0.088 0.000 2.437 359 K HA 0.070 4.391 4.320 0.001 0.000 0.205 359 K C 0.702 177.362 176.600 0.101 0.000 1.026 359 K CA -0.124 56.217 56.287 0.090 0.000 1.153 359 K CB 0.108 32.653 32.500 0.074 0.000 0.863 359 K HN -0.062 8.188 8.250 -0.000 0.000 0.502 360 D N 1.674 122.146 120.400 0.120 0.000 2.218 360 D HA -0.145 4.495 4.640 0.001 0.000 0.204 360 D C 1.116 177.490 176.300 0.123 0.000 0.976 360 D CA 1.098 55.174 54.000 0.127 0.000 0.853 360 D CB 0.032 40.954 40.800 0.203 0.000 0.939 360 D HN 0.314 8.684 8.370 -0.000 0.000 0.481 361 N N 0.032 118.817 118.700 0.142 0.000 2.251 361 N HA -0.049 4.692 4.740 0.001 0.000 0.217 361 N C -0.735 174.907 175.510 0.220 0.000 1.124 361 N CA -0.020 53.133 53.050 0.172 0.000 0.843 361 N CB 0.421 39.024 38.487 0.192 0.000 1.024 361 N HN -0.118 8.262 8.380 -0.000 0.000 0.501 362 D N 0.770 121.272 120.400 0.170 0.000 2.432 362 D HA 0.213 4.854 4.640 0.001 0.000 0.265 362 D C 0.473 176.871 176.300 0.163 0.000 1.160 362 D CA -0.555 53.551 54.000 0.175 0.000 0.911 362 D CB 0.797 41.675 40.800 0.131 0.000 1.052 362 D HN -0.107 8.263 8.370 -0.000 0.000 0.508 363 L N 3.241 124.593 121.223 0.214 0.000 2.465 363 L HA 0.101 4.441 4.340 0.001 0.000 0.224 363 L C 2.156 179.166 176.870 0.233 0.000 1.145 363 L CA 0.721 55.656 54.840 0.159 0.000 0.834 363 L CB -0.288 41.904 42.059 0.221 0.000 0.944 363 L HN 0.541 8.771 8.230 -0.000 0.000 0.451 364 I N -1.218 119.504 120.570 0.253 0.000 2.286 364 I HA -0.248 3.923 4.170 0.001 0.000 0.245 364 I C 1.830 178.056 176.117 0.181 0.000 1.104 364 I CA 1.369 62.815 61.300 0.243 0.000 1.397 364 I CB -0.090 38.008 38.000 0.163 0.000 1.072 364 I HN 0.198 8.408 8.210 -0.000 0.000 0.417 365 L N 0.693 121.997 121.223 0.134 0.000 2.590 365 L HA 0.046 4.387 4.340 0.001 0.000 0.227 365 L C 1.803 178.728 176.870 0.091 0.000 1.099 365 L CA 0.108 55.010 54.840 0.103 0.000 0.872 365 L CB -0.481 41.626 42.059 0.080 0.000 1.088 365 L HN 0.339 8.569 8.230 -0.000 0.000 0.479 366 N N -0.411 118.346 118.700 0.094 0.000 2.550 366 N HA -0.247 4.494 4.740 0.001 0.000 0.186 366 N C 1.015 176.602 175.510 0.128 0.000 1.110 366 N CA 1.106 54.207 53.050 0.086 0.000 0.912 366 N CB -0.177 38.353 38.487 0.072 0.000 0.968 366 N HN 0.375 8.755 8.380 -0.000 0.000 0.448 367 Y N -0.132 120.144 120.300 -0.040 0.000 2.717 367 Y HA 0.552 5.102 4.550 0.001 0.000 0.250 367 Y C 0.126 176.023 175.900 -0.004 0.000 1.149 367 Y CA -0.855 57.217 58.100 -0.047 0.000 1.211 367 Y CB 0.281 38.674 38.460 -0.113 0.000 1.289 367 Y HN 0.176 8.456 8.280 -0.000 0.000 0.552 368 A N 1.156 124.023 122.820 0.079 0.000 2.450 368 A HA 0.375 4.695 4.320 0.001 0.000 0.255 368 A C 0.578 178.145 177.584 -0.028 0.000 1.096 368 A CA -0.131 51.941 52.037 0.058 0.000 0.778 368 A CB 0.522 19.567 19.000 0.074 0.000 1.031 368 A HN 0.312 8.462 8.150 -0.000 0.000 0.494 369 K N 1.076 121.455 120.400 -0.036 0.000 2.313 369 K HA 0.095 4.416 4.320 0.001 0.000 0.215 369 K C 0.261 176.846 176.600 -0.025 0.000 1.109 369 K CA 0.862 57.111 56.287 -0.064 0.000 0.895 369 K CB -0.105 32.337 32.500 -0.096 0.000 1.234 369 K HN 0.706 8.956 8.250 -0.000 0.000 0.463 370 D N 0.177 120.574 120.400 -0.006 0.000 2.392 370 D HA 0.168 4.808 4.640 0.001 0.000 0.206 370 D C 0.965 177.273 176.300 0.013 0.000 1.046 370 D CA 0.459 54.460 54.000 0.002 0.000 0.865 370 D CB 1.247 42.049 40.800 0.005 0.000 0.969 370 D HN 0.275 8.645 8.370 -0.000 0.000 0.509 371 G N -0.167 108.648 108.800 0.024 0.000 2.561 371 G HA2 0.460 4.421 3.960 0.001 0.000 0.310 371 G HA3 0.460 4.421 3.960 0.001 0.000 0.310 371 G C -1.544 173.385 174.900 0.049 0.000 1.292 371 G CA -0.832 44.286 45.100 0.030 0.000 0.811 371 G HN -0.006 8.284 8.290 -0.000 0.000 0.482 372 L N 2.044 123.296 121.223 0.049 0.000 2.399 372 L HA 0.423 4.763 4.340 0.001 0.000 0.266 372 L C -1.611 175.307 176.870 0.079 0.000 1.114 372 L CA -1.628 53.252 54.840 0.067 0.000 0.804 372 L CB 1.545 43.633 42.059 0.048 0.000 1.146 372 L HN 0.332 8.562 8.230 -0.000 0.000 0.451 373 P HA 0.175 4.595 4.420 -0.000 0.000 0.272 373 P C -0.697 176.615 177.300 0.019 0.000 1.230 373 P CA -0.153 63.016 63.100 0.115 0.000 0.788 373 P CB 0.965 32.810 31.700 0.241 0.000 0.949 374 I N 0.716 121.272 120.570 -0.024 0.000 2.440 374 I HA 0.595 4.766 4.170 0.001 0.000 0.294 374 I C 1.103 177.150 176.117 -0.117 0.000 0.995 374 I CA 0.710 61.978 61.300 -0.054 0.000 1.306 374 I CB 0.902 38.878 38.000 -0.040 0.000 1.407 374 I HN 0.683 8.893 8.210 -0.000 0.000 0.501 375 G N 4.523 113.259 108.800 -0.106 0.000 2.359 375 G HA2 -0.012 3.949 3.960 0.001 0.000 0.303 375 G HA3 -0.012 3.949 3.960 0.001 0.000 0.303 375 G C -1.418 173.407 174.900 -0.124 0.000 1.293 375 G CA -0.960 44.055 45.100 -0.143 0.000 0.964 375 G HN 0.526 8.816 8.290 -0.000 0.000 0.531 376 E N 0.727 120.839 120.200 -0.147 0.000 2.152 376 E HA 0.352 4.703 4.350 0.001 0.000 0.285 376 E C 0.292 176.821 176.600 -0.119 0.000 1.043 376 E CA -0.321 56.001 56.400 -0.131 0.000 0.839 376 E CB 0.883 30.492 29.700 -0.152 0.000 1.069 376 E HN 0.378 8.738 8.360 -0.000 0.000 0.399 377 R N 2.010 122.455 120.500 -0.093 0.000 2.370 377 R HA 0.159 4.499 4.340 0.001 0.000 0.309 377 R C -0.170 176.079 176.300 -0.086 0.000 1.059 377 R CA -0.199 55.861 56.100 -0.067 0.000 0.981 377 R CB 0.235 30.503 30.300 -0.055 0.000 0.972 377 R HN 0.308 8.578 8.270 -0.000 0.000 0.437 378 V N 0.991 120.876 119.914 -0.048 0.000 2.841 378 V HA 0.592 4.713 4.120 0.001 0.000 0.310 378 V C -0.308 175.766 176.094 -0.034 0.000 1.090 378 V CA -1.113 61.169 62.300 -0.030 0.000 0.930 378 V CB 2.050 33.920 31.823 0.078 0.000 1.014 378 V HN 0.559 8.749 8.190 -0.000 0.000 0.425 379 I N 3.273 123.801 120.570 -0.069 0.000 2.392 379 I HA 0.653 4.824 4.170 0.001 0.000 0.295 379 I C -0.594 175.429 176.117 -0.157 0.000 0.985 379 I CA -0.895 60.317 61.300 -0.146 0.000 1.221 379 I CB 2.032 39.932 38.000 -0.167 0.000 1.366 379 I HN 0.492 8.702 8.210 -0.000 0.000 0.467 380 V N 5.915 125.603 119.914 -0.377 0.000 2.540 380 V HA 0.506 4.627 4.120 0.001 0.000 0.302 380 V C -0.617 175.310 176.094 -0.279 0.000 1.035 380 V CA -0.521 61.594 62.300 -0.308 0.000 0.873 380 V CB 1.553 33.038 31.823 -0.564 0.000 0.992 380 V HN 0.929 9.119 8.190 -0.000 0.000 0.428 381 H N 1.869 120.693 119.070 -0.410 0.000 2.990 381 H HA 0.972 5.529 4.556 0.001 0.000 0.343 381 H C -0.220 174.610 175.328 -0.830 0.000 1.270 381 H CA -0.462 55.102 56.048 -0.806 0.000 1.118 381 H CB 2.477 31.923 29.762 -0.526 0.000 1.861 381 H HN 0.985 9.265 8.280 -0.000 0.000 0.544 382 G N -0.310 107.633 108.800 -1.428 0.000 2.336 382 G HA2 0.276 4.237 3.960 0.001 0.000 0.286 382 G HA3 0.276 4.237 3.960 0.001 0.000 0.286 382 G C -2.401 171.986 174.900 -0.854 0.000 1.269 382 G CA -1.055 43.505 45.100 -0.901 0.000 0.873 382 G HN 0.514 8.804 8.290 -0.000 0.000 0.494 383 Y N -1.064 119.183 120.300 -0.088 0.000 2.462 383 Y HA 0.627 5.177 4.550 0.001 0.000 0.346 383 Y C 0.144 176.078 175.900 0.056 0.000 0.976 383 Y CA -0.880 57.251 58.100 0.052 0.000 1.044 383 Y CB 2.682 41.158 38.460 0.027 0.000 1.230 383 Y HN 0.343 8.623 8.280 -0.000 0.000 0.455 384 V N 4.633 124.692 119.914 0.241 0.000 2.370 384 V HA 0.635 4.756 4.120 0.001 0.000 0.283 384 V C -0.324 175.841 176.094 0.118 0.000 1.023 384 V CA -0.832 61.538 62.300 0.116 0.000 0.857 384 V CB 1.055 32.926 31.823 0.081 0.000 0.985 384 V HN 0.840 9.030 8.190 -0.000 0.000 0.443 385 R N 2.107 122.647 120.500 0.067 0.000 2.869 385 R HA 0.786 5.127 4.340 0.001 0.000 0.263 385 R C -1.389 174.930 176.300 0.033 0.000 1.066 385 R CA -0.987 55.147 56.100 0.058 0.000 0.960 385 R CB 1.614 31.938 30.300 0.040 0.000 1.221 385 R HN 0.609 8.879 8.270 -0.000 0.000 0.474 386 D N -0.738 119.685 120.400 0.039 0.000 2.466 386 D HA -0.042 4.599 4.640 0.001 0.000 0.262 386 D C 0.863 177.126 176.300 -0.062 0.000 1.177 386 D CA -0.674 53.336 54.000 0.016 0.000 1.035 386 D CB 0.595 41.437 40.800 0.070 0.000 1.105 386 D HN 0.690 9.060 8.370 -0.000 0.000 0.551 387 Q N -0.646 119.030 119.800 -0.207 0.000 2.364 387 Q HA -0.118 4.223 4.340 0.001 0.000 0.209 387 Q C 0.748 176.487 176.000 -0.435 0.000 0.977 387 Q CA 1.149 56.729 55.803 -0.371 0.000 0.885 387 Q CB -0.510 27.916 28.738 -0.519 0.000 0.941 387 Q HN 0.561 8.831 8.270 -0.000 0.000 0.464 388 F N 0.248 120.233 119.950 0.059 0.000 2.692 388 F HA 0.377 4.905 4.527 0.001 0.000 0.303 388 F C 1.369 177.197 175.800 0.047 0.000 1.114 388 F CA 0.190 58.226 58.000 0.060 0.000 1.361 388 F CB 0.828 39.877 39.000 0.082 0.000 1.063 388 F HN 0.281 8.581 8.300 -0.000 0.000 0.550 389 G N 0.981 109.853 108.800 0.121 0.000 2.157 389 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 389 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 389 G C 0.289 175.239 174.900 0.083 0.000 0.979 389 G CA -0.542 44.606 45.100 0.080 0.000 0.650 389 G HN 0.348 8.638 8.290 -0.000 0.000 0.529 390 R N 1.334 121.904 120.500 0.117 0.000 2.441 390 R HA 0.475 4.816 4.340 0.001 0.000 0.284 390 R C -2.194 174.154 176.300 0.079 0.000 1.070 390 R CA -1.569 54.592 56.100 0.101 0.000 1.047 390 R CB 0.802 31.175 30.300 0.122 0.000 1.016 390 R HN 0.158 8.428 8.270 -0.000 0.000 0.477 391 P HA 0.008 4.428 4.420 -0.000 0.000 0.271 391 P C -0.581 176.773 177.300 0.091 0.000 1.218 391 P CA -0.153 63.005 63.100 0.096 0.000 0.780 391 P CB 0.745 32.511 31.700 0.110 0.000 0.901 392 V N 4.086 124.060 119.914 0.101 0.000 2.311 392 V HA 0.200 4.320 4.120 0.001 0.000 0.275 392 V C 0.633 176.787 176.094 0.100 0.000 1.022 392 V CA -0.339 62.013 62.300 0.086 0.000 0.830 392 V CB 0.408 32.278 31.823 0.078 0.000 1.012 392 V HN 0.444 8.634 8.190 -0.000 0.000 0.452 393 K N 4.158 124.615 120.400 0.094 0.000 2.130 393 K HA 0.451 4.771 4.320 0.001 0.000 0.268 393 K C 0.374 177.036 176.600 0.103 0.000 0.983 393 K CA -0.656 55.692 56.287 0.101 0.000 0.893 393 K CB 0.559 33.117 32.500 0.095 0.000 1.066 393 K HN 0.609 8.859 8.250 -0.000 0.000 0.450 394 N N -0.243 118.514 118.700 0.097 0.000 2.735 394 N HA -0.207 4.534 4.740 0.001 0.000 0.248 394 N C -0.893 174.690 175.510 0.122 0.000 1.083 394 N CA 1.020 54.130 53.050 0.100 0.000 0.703 394 N CB -1.281 37.283 38.487 0.128 0.000 1.005 394 N HN 0.742 9.122 8.380 -0.000 0.000 0.550 395 A N 0.066 122.944 122.820 0.096 0.000 2.316 395 A HA 0.573 4.893 4.320 0.001 0.000 0.284 395 A C 0.436 178.067 177.584 0.078 0.000 1.115 395 A CA -0.535 51.562 52.037 0.100 0.000 0.812 395 A CB 0.770 19.812 19.000 0.071 0.000 1.064 395 A HN 0.285 8.435 8.150 -0.000 0.000 0.489 396 L N 3.283 124.565 121.223 0.099 0.000 2.281 396 L HA 0.520 4.861 4.340 0.001 0.000 0.285 396 L C -0.618 176.256 176.870 0.006 0.000 1.074 396 L CA 0.213 55.072 54.840 0.031 0.000 0.817 396 L CB 0.947 42.940 42.059 -0.111 0.000 1.168 396 L HN 0.353 8.583 8.230 -0.000 0.000 0.434 397 V N 5.413 125.322 119.914 -0.010 0.000 2.384 397 V HA 0.489 4.609 4.120 0.001 0.000 0.287 397 V C -0.173 175.916 176.094 -0.009 0.000 1.020 397 V CA -0.658 61.624 62.300 -0.030 0.000 0.850 397 V CB 1.316 33.050 31.823 -0.149 0.000 0.987 397 V HN 0.767 8.957 8.190 -0.000 0.000 0.436 398 E N 3.061 123.289 120.200 0.046 0.000 2.212 398 E HA 0.743 5.093 4.350 0.001 0.000 0.268 398 E C -0.985 175.708 176.600 0.155 0.000 0.902 398 E CA -0.688 55.756 56.400 0.073 0.000 0.779 398 E CB 2.773 32.521 29.700 0.079 0.000 1.172 398 E HN 0.612 8.972 8.360 -0.000 0.000 0.409 399 V N -0.505 119.464 119.914 0.092 0.000 3.040 399 V HA 0.875 4.995 4.120 0.001 0.000 0.312 399 V C -1.533 174.736 176.094 0.291 0.000 1.115 399 V CA -0.886 61.465 62.300 0.086 0.000 0.998 399 V CB 1.110 32.758 31.823 -0.291 0.000 1.042 399 V HN 0.895 9.085 8.190 -0.000 0.000 0.433 400 W N 2.398 123.709 121.300 0.018 0.000 3.137 400 W HA 0.865 5.526 4.660 0.002 0.000 0.324 400 W C -1.215 175.413 176.519 0.182 0.000 1.253 400 W CA -0.317 57.063 57.345 0.058 0.000 1.183 400 W CB 1.105 30.580 29.460 0.025 0.000 1.424 400 W HN 1.105 9.285 8.180 -0.000 0.000 0.566 401 Q N 1.442 121.428 119.800 0.309 0.000 2.829 401 Q HA 0.707 5.048 4.340 0.001 0.000 0.296 401 Q C -1.365 174.578 176.000 -0.096 0.000 0.893 401 Q CA -1.113 54.759 55.803 0.115 0.000 0.772 401 Q CB 1.237 29.966 28.738 -0.014 0.000 1.489 401 Q HN 1.033 9.303 8.270 -0.000 0.000 0.420 402 A N 0.763 123.183 122.820 -0.668 0.000 2.259 402 A HA 0.462 4.783 4.320 0.001 0.000 0.278 402 A C -0.068 177.362 177.584 -0.257 0.000 1.107 402 A CA 0.005 51.531 52.037 -0.853 0.000 0.828 402 A CB -0.077 18.328 19.000 -0.992 0.000 1.111 402 A HN 0.859 9.009 8.150 -0.000 0.000 0.498 403 N N -1.033 117.539 118.700 -0.213 0.000 2.514 403 N HA 0.442 5.182 4.740 0.001 0.000 0.299 403 N C 0.945 176.256 175.510 -0.332 0.000 1.292 403 N CA -0.113 52.722 53.050 -0.357 0.000 0.963 403 N CB 0.826 39.208 38.487 -0.174 0.000 1.124 403 N HN 0.492 8.872 8.380 -0.000 0.000 0.580 404 A N -0.240 122.367 122.820 -0.356 0.000 2.125 404 A HA -0.066 4.254 4.320 0.001 0.000 0.219 404 A C 1.860 179.385 177.584 -0.098 0.000 1.156 404 A CA 1.091 52.991 52.037 -0.229 0.000 0.671 404 A CB -0.756 18.113 19.000 -0.217 0.000 0.794 404 A HN 0.633 8.783 8.150 -0.000 0.000 0.459 405 S N -1.634 114.034 115.700 -0.053 0.000 2.558 405 S HA 0.350 4.821 4.470 0.001 0.000 0.217 405 S C 1.358 176.072 174.600 0.189 0.000 0.975 405 S CA 0.702 58.934 58.200 0.054 0.000 0.912 405 S CB 0.107 63.323 63.200 0.027 0.000 0.776 405 S HN 1.607 9.917 8.310 -0.000 0.000 0.526 406 G N 1.824 110.681 108.800 0.095 0.000 2.132 406 G HA2 -0.245 3.715 3.960 0.001 0.000 0.228 406 G HA3 -0.245 3.715 3.960 0.001 0.000 0.228 406 G C -0.057 174.860 174.900 0.028 0.000 1.000 406 G CA -0.100 45.097 45.100 0.163 0.000 0.693 406 G HN 0.453 8.743 8.290 -0.000 0.000 0.515 407 R N -0.280 120.203 120.500 -0.029 0.000 2.445 407 R HA 0.698 5.039 4.340 0.001 0.000 0.308 407 R C -0.509 175.714 176.300 -0.127 0.000 0.961 407 R CA -0.970 55.132 56.100 0.002 0.000 0.862 407 R CB 0.444 30.792 30.300 0.080 0.000 1.144 407 R HN 0.139 8.409 8.270 -0.000 0.000 0.447 408 Y N 2.204 122.481 120.300 -0.038 0.000 2.320 408 Y HA 0.337 4.888 4.550 0.001 0.000 0.324 408 Y C 0.880 176.809 175.900 0.049 0.000 1.190 408 Y CA -0.313 57.789 58.100 0.004 0.000 1.215 408 Y CB 1.259 39.695 38.460 -0.041 0.000 1.221 408 Y HN 0.406 8.686 8.280 -0.000 0.000 0.486 409 R N 3.862 124.486 120.500 0.206 0.000 3.657 409 R HA 0.122 4.463 4.340 0.001 0.000 0.220 409 R C -1.189 175.186 176.300 0.124 0.000 1.548 409 R CA 0.060 56.220 56.100 0.101 0.000 1.465 409 R CB -0.518 29.771 30.300 -0.018 0.000 1.330 409 R HN 0.710 8.980 8.270 -0.000 0.000 0.707 410 H N 1.906 121.006 119.070 0.050 0.000 2.851 410 H HA 0.255 4.812 4.556 0.001 0.000 0.372 410 H C -2.075 173.254 175.328 0.002 0.000 1.158 410 H CA -1.964 54.086 56.048 0.003 0.000 1.159 410 H CB 2.632 32.378 29.762 -0.027 0.000 1.757 410 H HN 0.175 8.455 8.280 -0.000 0.000 0.546 411 P HA -0.111 4.309 4.420 -0.000 0.000 0.214 411 P C 0.526 177.883 177.300 0.096 0.000 1.163 411 P CA 1.480 64.550 63.100 -0.050 0.000 0.889 411 P CB 0.249 31.855 31.700 -0.157 0.000 0.790 412 N N -0.925 117.927 118.700 0.252 0.000 2.571 412 N HA -0.067 4.674 4.740 0.001 0.000 0.189 412 N C 0.175 175.757 175.510 0.120 0.000 1.154 412 N CA -0.052 53.104 53.050 0.177 0.000 0.907 412 N CB -0.300 38.287 38.487 0.167 0.000 0.977 412 N HN 0.164 8.544 8.380 -0.000 0.000 0.449 413 D N 1.099 121.582 120.400 0.139 0.000 2.396 413 D HA 0.085 4.726 4.640 0.001 0.000 0.225 413 D C 0.076 176.446 176.300 0.116 0.000 1.121 413 D CA -0.136 53.932 54.000 0.113 0.000 0.853 413 D CB 0.713 41.600 40.800 0.145 0.000 1.043 413 D HN -0.023 8.347 8.370 -0.000 0.000 0.500 414 Q N 3.129 122.998 119.800 0.115 0.000 2.175 414 Q HA 0.002 4.343 4.340 0.001 0.000 0.225 414 Q C -0.262 175.826 176.000 0.148 0.000 0.837 414 Q CA -0.612 55.255 55.803 0.105 0.000 1.032 414 Q CB 0.278 29.064 28.738 0.079 0.000 1.137 414 Q HN 0.548 8.818 8.270 -0.000 0.000 0.483 415 Y N 1.046 121.363 120.300 0.028 0.000 2.578 415 Y HA -0.083 4.468 4.550 0.001 0.000 0.339 415 Y C 1.332 177.253 175.900 0.034 0.000 1.231 415 Y CA -0.100 58.017 58.100 0.027 0.000 1.461 415 Y CB 0.510 38.984 38.460 0.023 0.000 1.323 415 Y HN 0.146 8.426 8.280 -0.000 0.000 0.590 416 I N 3.275 123.568 120.570 -0.463 0.000 2.830 416 I HA 0.048 4.218 4.170 0.001 0.000 0.263 416 I C 1.109 176.850 176.117 -0.626 0.000 1.230 416 I CA 0.668 61.700 61.300 -0.447 0.000 1.480 416 I CB -0.683 37.168 38.000 -0.248 0.000 1.095 416 I HN 0.837 9.047 8.210 -0.000 0.000 0.455 417 G N 1.467 109.501 108.800 -1.277 0.000 2.321 417 G HA2 0.269 4.229 3.960 0.001 0.000 0.237 417 G HA3 0.269 4.229 3.960 0.001 0.000 0.237 417 G C 0.086 174.847 174.900 -0.231 0.000 1.282 417 G CA 0.166 44.919 45.100 -0.578 0.000 0.886 417 G HN 0.500 8.790 8.290 -0.000 0.000 0.528 418 A N 3.938 126.686 122.820 -0.120 0.000 2.425 418 A HA 0.542 4.862 4.320 0.001 0.000 0.249 418 A C 0.790 178.362 177.584 -0.021 0.000 1.084 418 A CA -0.377 51.623 52.037 -0.062 0.000 0.781 418 A CB 0.322 19.297 19.000 -0.042 0.000 1.019 418 A HN 0.630 8.780 8.150 -0.000 0.000 0.490 419 M N 1.595 121.197 119.600 0.002 0.000 2.240 419 M HA 0.145 4.625 4.480 0.001 0.000 0.333 419 M C -0.262 176.066 176.300 0.046 0.000 1.110 419 M CA 0.082 55.403 55.300 0.036 0.000 1.173 419 M CB 0.660 33.288 32.600 0.047 0.000 1.458 419 M HN 0.746 9.036 8.290 -0.000 0.000 0.458 420 D N 3.956 124.407 120.400 0.085 0.000 2.440 420 D HA 0.324 4.965 4.640 0.001 0.000 0.239 420 D C -1.780 174.616 176.300 0.159 0.000 1.084 420 D CA -1.698 52.365 54.000 0.104 0.000 0.843 420 D CB 1.777 42.642 40.800 0.110 0.000 1.097 420 D HN 0.238 8.608 8.370 -0.000 0.000 0.531 421 P HA -0.076 4.344 4.420 -0.000 0.000 0.223 421 P C 0.122 177.548 177.300 0.210 0.000 1.144 421 P CA 0.773 63.965 63.100 0.153 0.000 0.783 421 P CB 0.383 32.137 31.700 0.091 0.000 0.771 422 N N -1.910 116.920 118.700 0.217 0.000 2.230 422 N HA 0.165 4.905 4.740 0.001 0.000 0.202 422 N C -0.505 175.227 175.510 0.370 0.000 1.119 422 N CA -0.302 52.892 53.050 0.241 0.000 0.851 422 N CB 0.046 38.627 38.487 0.156 0.000 0.990 422 N HN 0.093 8.473 8.380 -0.000 0.000 0.497 423 F N -0.649 119.415 119.950 0.189 0.000 2.507 423 F HA 0.545 5.072 4.527 0.001 0.000 0.325 423 F C 1.027 176.772 175.800 -0.092 0.000 1.116 423 F CA -0.823 57.231 58.000 0.090 0.000 0.930 423 F CB 1.545 40.557 39.000 0.019 0.000 1.146 423 F HN -0.102 8.198 8.300 -0.000 0.000 0.447 424 G N 1.606 109.827 108.800 -0.966 0.000 2.662 424 G HA2 0.363 4.324 3.960 0.001 0.000 0.207 424 G HA3 0.363 4.324 3.960 0.001 0.000 0.207 424 G C 0.991 175.372 174.900 -0.865 0.000 1.154 424 G CA 0.303 44.721 45.100 -1.137 0.000 0.837 424 G HN 1.582 9.872 8.290 -0.000 0.000 0.580 425 G N -1.478 106.626 108.800 -1.161 0.000 2.163 425 G HA2 -0.109 3.851 3.960 0.001 0.000 0.213 425 G HA3 -0.109 3.851 3.960 0.001 0.000 0.213 425 G C 0.275 175.090 174.900 -0.142 0.000 0.991 425 G CA 0.442 45.227 45.100 -0.525 0.000 0.653 425 G HN 1.598 9.888 8.290 -0.000 0.000 0.518 426 C N -0.859 118.327 119.300 -0.190 0.000 2.898 426 C HA 1.072 5.532 4.460 0.001 0.000 0.304 426 C C 0.582 175.540 174.990 -0.053 0.000 1.237 426 C CA -0.046 58.952 59.018 -0.035 0.000 1.529 426 C CB 1.642 29.373 27.740 -0.014 0.000 2.021 426 C HN 1.815 10.045 8.230 -0.000 0.000 0.474 427 G N 1.450 110.231 108.800 -0.032 0.000 2.660 427 G HA2 0.926 4.887 3.960 0.001 0.000 0.290 427 G HA3 0.926 4.887 3.960 0.001 0.000 0.290 427 G C -1.659 173.219 174.900 -0.037 0.000 1.432 427 G CA -0.877 44.200 45.100 -0.038 0.000 0.807 427 G HN 1.328 9.618 8.290 -0.000 0.000 0.485 428 R N -1.681 118.832 120.500 0.022 0.000 2.716 428 R HA 0.838 5.179 4.340 0.001 0.000 0.271 428 R C -1.501 174.885 176.300 0.143 0.000 1.028 428 R CA -1.013 55.133 56.100 0.077 0.000 0.883 428 R CB 1.481 31.865 30.300 0.139 0.000 1.250 428 R HN 0.604 8.874 8.270 -0.000 0.000 0.465 429 M N 0.815 120.473 119.600 0.097 0.000 2.895 429 M HA 0.411 4.892 4.480 0.001 0.000 0.271 429 M C -1.621 174.581 176.300 -0.164 0.000 1.174 429 M CA -0.600 54.670 55.300 -0.049 0.000 0.816 429 M CB 2.111 34.722 32.600 0.019 0.000 1.647 429 M HN 0.443 8.733 8.290 -0.000 0.000 0.506 430 L N 0.989 122.036 121.223 -0.294 0.000 2.334 430 L HA 0.748 5.088 4.340 0.001 0.000 0.276 430 L C 0.136 176.970 176.870 -0.058 0.000 1.014 430 L CA -0.906 53.818 54.840 -0.194 0.000 0.815 430 L CB 2.253 44.145 42.059 -0.278 0.000 1.268 430 L HN 0.895 9.125 8.230 -0.000 0.000 0.428 431 T N -2.255 112.307 114.554 0.013 0.000 2.898 431 T HA 0.214 4.564 4.350 0.001 0.000 0.301 431 T C -0.159 174.587 174.700 0.076 0.000 1.049 431 T CA -0.913 61.230 62.100 0.072 0.000 1.095 431 T CB 1.035 69.965 68.868 0.102 0.000 0.976 431 T HN 0.628 8.868 8.240 -0.000 0.000 0.539 432 D N 0.354 120.824 120.400 0.116 0.000 2.469 432 D HA 0.160 4.801 4.640 0.001 0.000 0.278 432 D C 0.616 176.991 176.300 0.125 0.000 1.231 432 D CA -0.792 53.278 54.000 0.116 0.000 1.075 432 D CB 0.023 40.909 40.800 0.143 0.000 1.121 432 D HN 0.460 8.830 8.370 -0.000 0.000 0.571 433 D N -1.130 119.337 120.400 0.112 0.000 2.350 433 D HA -0.082 4.558 4.640 0.001 0.000 0.216 433 D C 0.446 176.819 176.300 0.122 0.000 0.968 433 D CA 0.594 54.657 54.000 0.104 0.000 0.894 433 D CB -0.103 40.746 40.800 0.082 0.000 0.909 433 D HN 0.314 8.684 8.370 -0.000 0.000 0.520 434 N N -0.322 118.477 118.700 0.165 0.000 2.230 434 N HA 0.101 4.841 4.740 0.001 0.000 0.202 434 N C 1.263 176.957 175.510 0.306 0.000 1.119 434 N CA 0.446 53.620 53.050 0.206 0.000 0.851 434 N CB 1.374 40.000 38.487 0.231 0.000 0.990 434 N HN 0.162 8.542 8.380 -0.000 0.000 0.497 435 G N 0.811 109.765 108.800 0.256 0.000 2.162 435 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 435 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 435 G C -0.132 174.942 174.900 0.289 0.000 0.976 435 G CA 0.130 45.387 45.100 0.263 0.000 0.655 435 G HN 0.456 8.746 8.290 -0.000 0.000 0.533 436 Y N 1.246 121.586 120.300 0.068 0.000 2.346 436 Y HA 0.559 5.110 4.550 0.000 0.000 0.330 436 Y C 0.362 176.220 175.900 -0.071 0.000 1.178 436 Y CA -0.793 57.161 58.100 -0.244 0.000 1.331 436 Y CB 0.389 38.674 38.460 -0.291 0.000 1.253 436 Y HN 0.548 8.828 8.280 -0.000 0.000 0.529 437 Y N 3.207 122.994 120.300 -0.855 0.000 2.581 437 Y HA 0.747 5.297 4.550 0.000 0.000 0.345 437 Y C -2.076 173.377 175.900 -0.746 0.000 1.036 437 Y CA -1.673 56.092 58.100 -0.559 0.000 1.042 437 Y CB 1.250 39.572 38.460 -0.230 0.000 1.289 437 Y HN 0.542 8.822 8.280 -0.000 0.000 0.471 438 V N 4.725 124.476 119.914 -0.271 0.000 2.891 438 V HA 0.781 4.902 4.120 0.001 0.000 0.304 438 V C -1.948 174.279 176.094 0.222 0.000 1.171 438 V CA -0.873 61.319 62.300 -0.179 0.000 0.943 438 V CB 1.673 33.377 31.823 -0.198 0.000 1.037 438 V HN 1.067 9.257 8.190 -0.000 0.000 0.427 439 F N 4.159 124.154 119.950 0.076 0.000 2.662 439 F HA 0.860 5.388 4.527 0.001 0.000 0.312 439 F C -0.949 174.919 175.800 0.112 0.000 1.113 439 F CA -1.103 56.966 58.000 0.115 0.000 0.951 439 F CB 1.675 40.774 39.000 0.166 0.000 1.344 439 F HN 0.665 8.965 8.300 -0.000 0.000 0.462 440 R N 1.199 121.865 120.500 0.276 0.000 2.740 440 R HA 0.779 5.119 4.340 0.001 0.000 0.282 440 R C -1.409 175.059 176.300 0.280 0.000 0.969 440 R CA -0.188 55.988 56.100 0.126 0.000 0.918 440 R CB 2.211 32.574 30.300 0.104 0.000 1.175 440 R HN 1.098 9.368 8.270 -0.000 0.000 0.464 441 T N 2.327 117.004 114.554 0.205 0.000 2.648 441 T HA 0.439 4.789 4.350 0.001 0.000 0.304 441 T C -1.574 173.221 174.700 0.158 0.000 1.312 441 T CA -0.635 61.650 62.100 0.308 0.000 1.023 441 T CB 0.935 70.080 68.868 0.462 0.000 1.612 441 T HN 0.335 8.575 8.240 -0.000 0.000 0.487 442 I N 2.723 123.355 120.570 0.104 0.000 2.359 442 I HA 0.404 4.574 4.170 0.001 0.000 0.294 442 I C 0.437 176.437 176.117 -0.195 0.000 0.987 442 I CA -0.718 60.492 61.300 -0.151 0.000 1.225 442 I CB 1.431 39.141 38.000 -0.484 0.000 1.366 442 I HN 0.685 8.895 8.210 -0.000 0.000 0.466 443 K N 8.525 128.783 120.400 -0.237 0.000 2.447 443 K HA 0.159 4.480 4.320 0.001 0.000 0.281 443 K C -2.248 174.143 176.600 -0.349 0.000 1.031 443 K CA -0.893 55.169 56.287 -0.375 0.000 1.019 443 K CB 0.498 32.693 32.500 -0.509 0.000 0.918 443 K HN 0.296 8.546 8.250 -0.000 0.000 0.476 444 P HA 0.095 4.515 4.420 -0.000 0.000 0.274 444 P C -0.298 176.888 177.300 -0.190 0.000 1.231 444 P CA -0.384 62.566 63.100 -0.249 0.000 0.790 444 P CB 1.085 32.648 31.700 -0.228 0.000 0.951 445 G N 2.305 111.042 108.800 -0.106 0.000 2.476 445 G HA2 0.464 4.424 3.960 0.001 0.000 0.286 445 G HA3 0.464 4.424 3.960 0.001 0.000 0.286 445 G C -2.634 172.334 174.900 0.113 0.000 1.177 445 G CA -1.397 43.704 45.100 0.001 0.000 0.870 445 G HN 0.311 8.601 8.290 -0.000 0.000 0.528 446 P HA 0.303 4.723 4.420 -0.000 0.000 0.272 446 P C -1.145 176.355 177.300 0.333 0.000 1.240 446 P CA 0.123 63.336 63.100 0.188 0.000 0.791 446 P CB 0.438 32.271 31.700 0.223 0.000 0.978 447 Y N -2.126 118.303 120.300 0.216 0.000 2.609 447 Y HA 0.682 5.233 4.550 0.002 0.000 0.336 447 Y C -3.150 172.534 175.900 -0.359 0.000 1.129 447 Y CA -3.436 54.610 58.100 -0.090 0.000 1.040 447 Y CB 0.264 38.629 38.460 -0.160 0.000 1.310 447 Y HN 0.171 8.451 8.280 -0.000 0.000 0.460 448 P HA 0.215 4.635 4.420 -0.000 0.000 0.278 448 P C -1.103 176.089 177.300 -0.181 0.000 1.238 448 P CA 0.227 62.686 63.100 -1.069 0.000 0.794 448 P CB 1.154 31.909 31.700 -1.575 0.000 0.955 449 W N 1.496 122.567 121.300 -0.383 0.000 3.074 449 W HA 0.522 5.183 4.660 0.000 0.000 0.332 449 W C -1.560 174.878 176.519 -0.136 0.000 1.253 449 W CA -1.315 55.939 57.345 -0.151 0.000 1.180 449 W CB 0.742 30.192 29.460 -0.018 0.000 1.445 449 W HN 0.313 8.493 8.180 -0.000 0.000 0.573 450 R N 2.721 123.187 120.500 -0.056 0.000 2.204 450 R HA 0.235 4.576 4.340 0.001 0.000 0.341 450 R C -0.280 175.795 176.300 -0.375 0.000 1.035 450 R CA 0.304 56.262 56.100 -0.238 0.000 0.887 450 R CB 0.348 30.599 30.300 -0.082 0.000 1.114 450 R HN 0.638 8.908 8.270 -0.000 0.000 0.473 451 N N 2.391 120.667 118.700 -0.706 0.000 3.420 451 N HA 0.190 4.930 4.740 0.001 0.000 0.211 451 N C -0.426 174.860 175.510 -0.372 0.000 1.201 451 N CA 0.039 52.711 53.050 -0.631 0.000 1.134 451 N CB 0.616 38.365 38.487 -1.230 0.000 1.366 451 N HN 0.317 8.697 8.380 -0.000 0.000 0.606 452 R N 0.160 120.433 120.500 -0.378 0.000 2.546 452 R HA 0.282 4.622 4.340 0.001 0.000 0.266 452 R C 0.917 177.076 176.300 -0.236 0.000 1.086 452 R CA -0.493 55.474 56.100 -0.220 0.000 1.160 452 R CB 0.504 30.708 30.300 -0.159 0.000 1.138 452 R HN 0.333 8.603 8.270 -0.000 0.000 0.567 453 I N 0.897 121.383 120.570 -0.140 0.000 2.394 453 I HA -0.184 3.986 4.170 0.001 0.000 0.251 453 I C 0.799 176.851 176.117 -0.108 0.000 1.136 453 I CA 1.553 62.784 61.300 -0.115 0.000 1.425 453 I CB -0.179 37.788 38.000 -0.054 0.000 1.079 453 I HN 0.439 8.649 8.210 -0.000 0.000 0.425 454 N N 0.975 119.638 118.700 -0.061 0.000 2.538 454 N HA 0.084 4.825 4.740 0.001 0.000 0.291 454 N C -0.481 175.075 175.510 0.076 0.000 1.323 454 N CA -0.089 52.996 53.050 0.060 0.000 0.934 454 N CB -0.145 38.427 38.487 0.142 0.000 1.255 454 N HN 0.205 8.585 8.380 -0.000 0.000 0.509 455 E N -0.338 119.736 120.200 -0.210 0.000 2.331 455 E HA 0.298 4.649 4.350 0.001 0.000 0.272 455 E C -1.196 175.289 176.600 -0.191 0.000 1.036 455 E CA -0.078 56.167 56.400 -0.259 0.000 0.864 455 E CB 0.606 29.769 29.700 -0.894 0.000 1.035 455 E HN 0.109 8.469 8.360 -0.000 0.000 0.408 456 W N 3.573 124.923 121.300 0.082 0.000 3.042 456 W HA 0.391 5.051 4.660 0.001 0.000 0.337 456 W C -0.472 176.121 176.519 0.123 0.000 1.086 456 W CA -0.822 56.602 57.345 0.132 0.000 1.236 456 W CB 1.125 30.603 29.460 0.029 0.000 1.381 456 W HN 0.225 8.405 8.180 -0.000 0.000 0.472 457 R N 2.846 123.401 120.500 0.092 0.000 2.490 457 R HA 0.372 4.713 4.340 0.001 0.000 0.280 457 R C -2.170 174.116 176.300 -0.022 0.000 1.077 457 R CA -2.284 53.712 56.100 -0.172 0.000 1.065 457 R CB -0.128 29.725 30.300 -0.745 0.000 1.003 457 R HN 0.110 8.380 8.270 -0.000 0.000 0.470 458 P HA 0.062 4.482 4.420 -0.000 0.000 0.273 458 P C -0.684 176.758 177.300 0.238 0.000 1.250 458 P CA -0.344 62.835 63.100 0.131 0.000 0.793 458 P CB 0.429 32.208 31.700 0.131 0.000 1.011 459 A N 1.749 124.695 122.820 0.209 0.000 2.511 459 A HA 0.359 4.679 4.320 0.001 0.000 0.242 459 A C 0.281 178.017 177.584 0.253 0.000 1.069 459 A CA 0.573 52.707 52.037 0.162 0.000 0.763 459 A CB -0.754 18.282 19.000 0.059 0.000 1.001 459 A HN 0.794 8.944 8.150 -0.000 0.000 0.498 460 H N -0.385 118.644 119.070 -0.068 0.000 3.042 460 H HA 0.601 5.157 4.556 0.001 0.000 0.346 460 H C -1.933 173.071 175.328 -0.542 0.000 1.294 460 H CA -1.185 54.591 56.048 -0.453 0.000 1.141 460 H CB 0.811 30.127 29.762 -0.743 0.000 1.872 460 H HN 0.456 8.736 8.280 -0.000 0.000 0.541 461 I N 2.540 122.529 120.570 -0.968 0.000 2.406 461 I HA 0.185 4.356 4.170 0.001 0.000 0.290 461 I C -0.076 175.499 176.117 -0.903 0.000 0.999 461 I CA -0.659 60.094 61.300 -0.911 0.000 1.124 461 I CB 1.532 38.921 38.000 -1.018 0.000 1.289 461 I HN 0.435 8.645 8.210 -0.000 0.000 0.441 462 H N 6.544 125.136 119.070 -0.797 0.000 2.610 462 H HA 0.406 4.963 4.556 0.001 0.000 0.336 462 H C -0.822 173.995 175.328 -0.853 0.000 1.087 462 H CA 0.157 55.535 56.048 -1.116 0.000 1.405 462 H CB 1.321 29.634 29.762 -2.414 0.000 1.460 462 H HN 0.457 8.737 8.280 -0.000 0.000 0.538 463 F N -0.280 119.368 119.950 -0.504 0.000 2.613 463 F HA 0.569 5.096 4.527 0.000 0.000 0.314 463 F C -0.681 175.137 175.800 0.030 0.000 1.075 463 F CA -1.047 56.852 58.000 -0.169 0.000 0.945 463 F CB 1.857 40.838 39.000 -0.033 0.000 1.310 463 F HN 0.361 8.661 8.300 -0.000 0.000 0.467 464 S N 1.997 117.862 115.700 0.275 0.000 2.540 464 S HA 0.827 5.298 4.470 0.001 0.000 0.275 464 S C -1.947 172.750 174.600 0.161 0.000 1.123 464 S CA -0.491 57.810 58.200 0.169 0.000 0.907 464 S CB 1.418 64.755 63.200 0.230 0.000 1.081 464 S HN 0.737 9.047 8.310 -0.000 0.000 0.476 465 L N 4.326 125.607 121.223 0.097 0.000 2.385 465 L HA 0.660 5.000 4.340 0.001 0.000 0.273 465 L C -0.887 176.001 176.870 0.030 0.000 0.990 465 L CA -0.230 54.655 54.840 0.073 0.000 0.821 465 L CB 1.919 44.032 42.059 0.090 0.000 1.279 465 L HN 0.663 8.893 8.230 -0.000 0.000 0.412 466 I N 2.643 123.248 120.570 0.059 0.000 2.389 466 I HA 0.713 4.883 4.170 0.001 0.000 0.288 466 I C 0.216 176.412 176.117 0.132 0.000 0.999 466 I CA -0.134 61.235 61.300 0.114 0.000 1.129 466 I CB 1.724 39.873 38.000 0.248 0.000 1.288 466 I HN 0.805 9.015 8.210 -0.000 0.000 0.444 467 A N 4.849 127.721 122.820 0.086 0.000 3.474 467 A HA 0.396 4.716 4.320 0.001 0.000 0.187 467 A C 0.830 178.445 177.584 0.050 0.000 1.195 467 A CA -0.069 52.012 52.037 0.073 0.000 1.405 467 A CB 0.238 19.267 19.000 0.047 0.000 1.629 467 A HN 0.611 8.761 8.150 -0.000 0.000 0.632 468 D N -0.165 120.264 120.400 0.048 0.000 2.240 468 D HA 0.177 4.817 4.640 0.001 0.000 0.206 468 D C 0.714 177.063 176.300 0.081 0.000 0.963 468 D CA 1.295 55.325 54.000 0.051 0.000 0.863 468 D CB 0.194 41.041 40.800 0.077 0.000 0.973 468 D HN 0.467 8.837 8.370 -0.000 0.000 0.501 469 G N -0.697 108.137 108.800 0.058 0.000 2.524 469 G HA2 0.164 4.124 3.960 0.001 0.000 0.310 469 G HA3 0.164 4.124 3.960 0.001 0.000 0.310 469 G C 0.031 174.919 174.900 -0.020 0.000 1.279 469 G CA -0.734 44.385 45.100 0.032 0.000 0.974 469 G HN 0.099 8.389 8.290 -0.000 0.000 0.484 470 W N 1.910 123.136 121.300 -0.124 0.000 2.350 470 W HA -0.182 4.479 4.660 0.002 0.000 0.289 470 W C 1.990 178.409 176.519 -0.167 0.000 1.215 470 W CA 1.286 58.567 57.345 -0.108 0.000 1.236 470 W CB 0.177 29.603 29.460 -0.057 0.000 1.130 470 W HN 0.601 8.781 8.180 -0.000 0.000 0.541 471 A N 0.352 123.060 122.820 -0.185 0.000 2.070 471 A HA -0.250 4.071 4.320 0.001 0.000 0.220 471 A C 1.774 179.099 177.584 -0.432 0.000 1.159 471 A CA 1.630 53.474 52.037 -0.322 0.000 0.656 471 A CB -0.727 18.101 19.000 -0.287 0.000 0.800 471 A HN 0.550 8.700 8.150 -0.000 0.000 0.453 472 Q N -1.033 118.468 119.800 -0.498 0.000 2.432 472 Q HA 0.019 4.359 4.340 0.001 0.000 0.205 472 Q C 0.699 176.541 176.000 -0.264 0.000 0.945 472 Q CA -0.181 55.414 55.803 -0.348 0.000 0.924 472 Q CB -0.005 28.573 28.738 -0.267 0.000 1.016 472 Q HN 0.473 8.743 8.270 -0.000 0.000 0.503 473 R N 1.701 121.979 120.500 -0.371 0.000 2.485 473 R HA 0.052 4.393 4.340 0.001 0.000 0.304 473 R C -1.206 174.926 176.300 -0.280 0.000 0.934 473 R CA 0.462 56.321 56.100 -0.401 0.000 1.102 473 R CB -0.143 29.667 30.300 -0.817 0.000 0.906 473 R HN 0.029 8.299 8.270 -0.000 0.000 0.407 474 L N 5.519 126.637 121.223 -0.175 0.000 2.482 474 L HA 0.597 4.937 4.340 0.001 0.000 0.263 474 L C -1.429 175.369 176.870 -0.120 0.000 0.957 474 L CA -0.461 54.304 54.840 -0.125 0.000 0.836 474 L CB 1.789 43.821 42.059 -0.045 0.000 1.324 474 L HN 0.683 8.913 8.230 -0.000 0.000 0.406 475 I N 3.212 123.688 120.570 -0.157 0.000 2.545 475 I HA 0.731 4.902 4.170 0.001 0.000 0.292 475 I C -0.302 175.596 176.117 -0.364 0.000 1.040 475 I CA -0.236 60.938 61.300 -0.210 0.000 1.068 475 I CB 2.148 40.119 38.000 -0.050 0.000 1.251 475 I HN 0.741 8.951 8.210 -0.000 0.000 0.424 476 S N 4.192 119.432 115.700 -0.767 0.000 2.873 476 S HA 0.584 5.055 4.470 0.001 0.000 0.303 476 S C -2.035 172.034 174.600 -0.885 0.000 1.222 476 S CA -0.517 57.257 58.200 -0.710 0.000 0.923 476 S CB 1.934 64.807 63.200 -0.545 0.000 1.286 476 S HN 0.640 8.950 8.310 -0.000 0.000 0.571 477 Q N 0.252 119.754 119.800 -0.497 0.000 2.377 477 Q HA 0.549 4.890 4.340 0.001 0.000 0.279 477 Q C -1.707 174.122 176.000 -0.285 0.000 1.049 477 Q CA -0.692 54.823 55.803 -0.480 0.000 0.825 477 Q CB 2.067 30.377 28.738 -0.713 0.000 1.401 477 Q HN 0.597 8.867 8.270 -0.000 0.000 0.404 478 F N -1.020 118.593 119.950 -0.561 0.000 2.579 478 F HA 0.799 5.326 4.527 0.001 0.000 0.324 478 F C -1.329 173.764 175.800 -1.178 0.000 1.058 478 F CA -0.878 56.585 58.000 -0.895 0.000 0.944 478 F CB 0.910 38.982 39.000 -1.547 0.000 1.245 478 F HN 0.446 8.746 8.300 -0.000 0.000 0.477 479 Y N 0.143 120.281 120.300 -0.269 0.000 2.659 479 Y HA 0.679 5.230 4.550 0.001 0.000 0.333 479 Y C -1.158 174.482 175.900 -0.432 0.000 1.064 479 Y CA -1.372 56.563 58.100 -0.275 0.000 1.141 479 Y CB 1.595 39.998 38.460 -0.095 0.000 1.316 479 Y HN 0.481 8.761 8.280 -0.000 0.000 0.509 480 F N 0.337 120.333 119.950 0.076 0.000 2.458 480 F HA 0.288 4.816 4.527 0.000 0.000 0.336 480 F C 0.281 176.133 175.800 0.087 0.000 1.114 480 F CA -1.128 56.833 58.000 -0.065 0.000 0.987 480 F CB 1.343 40.179 39.000 -0.273 0.000 1.130 480 F HN 0.399 8.699 8.300 -0.000 0.000 0.458 481 E N 1.617 122.020 120.200 0.338 0.000 2.608 481 E HA 0.173 4.523 4.350 0.001 0.000 0.259 481 E C 1.180 177.926 176.600 0.243 0.000 0.951 481 E CA 1.334 57.903 56.400 0.282 0.000 0.945 481 E CB 0.273 30.161 29.700 0.314 0.000 0.916 481 E HN 0.959 9.319 8.360 -0.000 0.000 0.477 482 G N 4.048 112.943 108.800 0.159 0.000 2.205 482 G HA2 -0.293 3.668 3.960 0.001 0.000 0.261 482 G HA3 -0.293 3.668 3.960 0.001 0.000 0.261 482 G C 0.117 175.073 174.900 0.092 0.000 0.980 482 G CA 0.213 45.382 45.100 0.115 0.000 0.632 482 G HN 0.720 9.010 8.290 -0.000 0.000 0.533 483 D N 1.560 122.028 120.400 0.113 0.000 2.434 483 D HA 0.294 4.935 4.640 0.001 0.000 0.252 483 D C 2.054 178.376 176.300 0.037 0.000 1.185 483 D CA 0.900 54.950 54.000 0.083 0.000 0.886 483 D CB 0.796 41.673 40.800 0.128 0.000 1.148 483 D HN 0.399 8.769 8.370 -0.000 0.000 0.483 484 T N 1.604 116.167 114.554 0.015 0.000 3.007 484 T HA -0.085 4.266 4.350 0.001 0.000 0.270 484 T C 2.114 176.803 174.700 -0.018 0.000 1.107 484 T CA 0.378 62.475 62.100 -0.006 0.000 1.118 484 T CB -0.096 68.762 68.868 -0.017 0.000 0.889 484 T HN 0.428 8.668 8.240 -0.000 0.000 0.506 485 L N -0.022 121.194 121.223 -0.011 0.000 2.376 485 L HA 0.191 4.532 4.340 0.001 0.000 0.219 485 L C 2.413 179.253 176.870 -0.050 0.000 1.133 485 L CA 0.510 55.344 54.840 -0.011 0.000 0.816 485 L CB -0.548 41.528 42.059 0.029 0.000 0.933 485 L HN 0.265 8.495 8.230 -0.000 0.000 0.449 486 I N -0.018 120.505 120.570 -0.078 0.000 2.264 486 I HA -0.309 3.862 4.170 0.001 0.000 0.248 486 I C 1.843 177.869 176.117 -0.152 0.000 1.111 486 I CA 1.239 62.430 61.300 -0.182 0.000 1.382 486 I CB -0.284 37.616 38.000 -0.166 0.000 1.060 486 I HN 0.299 8.509 8.210 -0.000 0.000 0.418 487 D N 0.065 120.414 120.400 -0.084 0.000 2.310 487 D HA -0.077 4.564 4.640 0.001 0.000 0.212 487 D C 1.947 178.215 176.300 -0.054 0.000 0.965 487 D CA 1.015 54.977 54.000 -0.064 0.000 0.879 487 D CB 0.159 40.936 40.800 -0.039 0.000 0.921 487 D HN 0.245 8.615 8.370 -0.000 0.000 0.510 488 S N -0.463 115.209 115.700 -0.046 0.000 2.540 488 S HA 0.036 4.506 4.470 0.001 0.000 0.222 488 S C 0.741 175.334 174.600 -0.013 0.000 1.008 488 S CA -0.486 57.700 58.200 -0.022 0.000 0.939 488 S CB 0.748 63.948 63.200 0.000 0.000 0.865 488 S HN 0.297 8.607 8.310 -0.000 0.000 0.499 489 C N 4.722 123.996 119.300 -0.044 0.000 2.651 489 C HA 0.267 4.728 4.460 0.001 0.000 0.410 489 C C -1.321 173.652 174.990 -0.028 0.000 1.372 489 C CA -1.642 57.361 59.018 -0.026 0.000 1.707 489 C CB 0.319 27.981 27.740 -0.130 0.000 2.501 489 C HN 0.293 8.523 8.230 -0.000 0.000 0.598 490 P HA -0.038 4.382 4.420 -0.000 0.000 0.221 490 P C 1.402 178.681 177.300 -0.035 0.000 1.150 490 P CA 1.375 64.494 63.100 0.032 0.000 0.800 490 P CB 0.040 31.799 31.700 0.099 0.000 0.787 491 I N -1.341 119.151 120.570 -0.129 0.000 2.286 491 I HA -0.185 3.985 4.170 0.001 0.000 0.245 491 I C 2.121 178.131 176.117 -0.178 0.000 1.104 491 I CA 0.965 62.079 61.300 -0.310 0.000 1.397 491 I CB -0.501 37.179 38.000 -0.534 0.000 1.072 491 I HN -0.066 8.144 8.210 -0.000 0.000 0.417 492 L N 0.990 122.106 121.223 -0.178 0.000 2.156 492 L HA -0.119 4.221 4.340 0.001 0.000 0.208 492 L C 2.185 178.992 176.870 -0.106 0.000 1.095 492 L CA 1.809 56.543 54.840 -0.176 0.000 0.770 492 L CB -0.584 41.247 42.059 -0.380 0.000 0.914 492 L HN 0.041 8.271 8.230 -0.000 0.000 0.439 493 K N -0.922 119.426 120.400 -0.086 0.000 2.439 493 K HA -0.066 4.255 4.320 0.001 0.000 0.197 493 K C 1.788 178.377 176.600 -0.017 0.000 1.041 493 K CA 1.188 57.447 56.287 -0.046 0.000 0.970 493 K CB -0.216 32.263 32.500 -0.036 0.000 0.773 493 K HN 0.604 8.854 8.250 -0.000 0.000 0.479 494 T N -0.518 114.031 114.554 -0.007 0.000 2.929 494 T HA -0.070 4.280 4.350 0.001 0.000 0.271 494 T C 0.955 175.670 174.700 0.025 0.000 1.085 494 T CA 0.518 62.634 62.100 0.026 0.000 1.125 494 T CB -0.368 68.536 68.868 0.061 0.000 0.874 494 T HN 0.026 8.266 8.240 -0.000 0.000 0.494 495 I N 3.030 123.605 120.570 0.009 0.000 2.452 495 I HA 0.172 4.343 4.170 0.001 0.000 0.287 495 I C -1.382 174.737 176.117 0.004 0.000 1.079 495 I CA -2.257 59.050 61.300 0.012 0.000 1.387 495 I CB 1.594 39.596 38.000 0.003 0.000 1.404 495 I HN 0.002 8.212 8.210 -0.000 0.000 0.522 496 P HA -0.083 4.337 4.420 -0.000 0.000 0.217 496 P C 0.116 177.416 177.300 0.001 0.000 1.150 496 P CA 0.829 63.934 63.100 0.009 0.000 0.832 496 P CB 0.150 31.861 31.700 0.018 0.000 0.787 497 S N -1.386 114.310 115.700 -0.005 0.000 2.549 497 S HA 0.332 4.803 4.470 0.001 0.000 0.297 497 S C 1.105 175.700 174.600 -0.008 0.000 1.115 497 S CA -0.550 57.647 58.200 -0.006 0.000 1.059 497 S CB 2.208 65.403 63.200 -0.008 0.000 1.046 497 S HN -0.192 8.118 8.310 -0.000 0.000 0.506 498 E N 1.764 121.960 120.200 -0.006 0.000 2.118 498 E HA -0.251 4.099 4.350 0.001 0.000 0.195 498 E C 2.125 178.725 176.600 -0.000 0.000 0.992 498 E CA 2.274 58.670 56.400 -0.006 0.000 0.804 498 E CB -0.360 29.337 29.700 -0.004 0.000 0.741 498 E HN 0.893 9.253 8.360 -0.000 0.000 0.458 499 Q N -0.578 119.222 119.800 0.001 0.000 2.167 499 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 499 Q C 1.963 177.968 176.000 0.007 0.000 0.970 499 Q CA 1.140 56.946 55.803 0.005 0.000 0.855 499 Q CB -0.188 28.550 28.738 0.001 0.000 0.911 499 Q HN 0.207 8.477 8.270 -0.000 0.000 0.438 500 Q N 0.869 120.667 119.800 -0.004 0.000 2.187 500 Q HA -0.001 4.340 4.340 0.001 0.000 0.199 500 Q C 2.035 178.049 176.000 0.023 0.000 0.957 500 Q CA 1.056 56.855 55.803 -0.006 0.000 0.857 500 Q CB 0.023 28.735 28.738 -0.043 0.000 0.929 500 Q HN 0.498 8.768 8.270 -0.000 0.000 0.453 501 R N 0.184 120.692 120.500 0.013 0.000 2.096 501 R HA -0.042 4.298 4.340 0.001 0.000 0.235 501 R C 2.233 178.563 176.300 0.049 0.000 1.127 501 R CA 0.926 57.034 56.100 0.014 0.000 0.968 501 R CB -0.102 30.181 30.300 -0.028 0.000 0.861 501 R HN 0.131 8.401 8.270 -0.000 0.000 0.440 502 R N 0.182 120.710 120.500 0.047 0.000 2.189 502 R HA 0.022 4.363 4.340 0.001 0.000 0.218 502 R C 2.016 178.388 176.300 0.120 0.000 1.074 502 R CA 0.892 57.036 56.100 0.072 0.000 0.991 502 R CB -0.092 30.238 30.300 0.050 0.000 0.883 502 R HN 0.173 8.443 8.270 -0.000 0.000 0.457 503 A N 0.676 123.565 122.820 0.116 0.000 2.216 503 A HA -0.043 4.278 4.320 0.001 0.000 0.214 503 A C 1.637 179.412 177.584 0.318 0.000 1.160 503 A CA 0.865 52.991 52.037 0.149 0.000 0.725 503 A CB -0.161 18.888 19.000 0.082 0.000 0.784 503 A HN 0.203 8.353 8.150 -0.000 0.000 0.472 504 L N -0.424 121.000 121.223 0.335 0.000 2.700 504 L HA 0.340 4.680 4.340 0.001 0.000 0.234 504 L C -0.342 176.727 176.870 0.330 0.000 1.156 504 L CA -0.114 55.001 54.840 0.458 0.000 0.946 504 L CB 0.112 42.435 42.059 0.441 0.000 1.216 504 L HN 0.238 8.468 8.230 -0.000 0.000 0.493 505 I N 0.880 121.624 120.570 0.290 0.000 2.312 505 I HA 0.328 4.498 4.170 0.001 0.000 0.290 505 I C 0.585 176.791 176.117 0.148 0.000 1.008 505 I CA -0.393 61.011 61.300 0.173 0.000 1.226 505 I CB 1.532 39.627 38.000 0.159 0.000 1.371 505 I HN -0.024 8.186 8.210 -0.000 0.000 0.468 506 A N 7.981 130.763 122.820 -0.063 0.000 2.401 506 A HA 0.609 4.929 4.320 0.001 0.000 0.259 506 A C -0.294 177.453 177.584 0.271 0.000 1.103 506 A CA -0.302 51.733 52.037 -0.004 0.000 0.789 506 A CB 0.320 19.053 19.000 -0.446 0.000 1.035 506 A HN 0.708 8.858 8.150 -0.000 0.000 0.491 507 L N 1.747 123.156 121.223 0.309 0.000 2.325 507 L HA 0.339 4.679 4.340 0.001 0.000 0.279 507 L C 0.834 177.850 176.870 0.244 0.000 1.054 507 L CA -0.511 54.498 54.840 0.281 0.000 0.804 507 L CB 1.295 43.448 42.059 0.157 0.000 1.200 507 L HN 0.875 9.105 8.230 -0.000 0.000 0.436 508 E N 1.830 122.100 120.200 0.117 0.000 2.415 508 E HA -0.091 4.259 4.350 0.001 0.000 0.263 508 E C -0.914 175.651 176.600 -0.057 0.000 0.995 508 E CA -0.066 56.230 56.400 -0.174 0.000 0.915 508 E CB 0.654 30.324 29.700 -0.051 0.000 0.951 508 E HN 0.425 8.785 8.360 -0.000 0.000 0.449 509 D N 4.470 124.853 120.400 -0.029 0.000 2.456 509 D HA 0.112 4.753 4.640 0.001 0.000 0.287 509 D C 0.513 176.739 176.300 -0.124 0.000 1.186 509 D CA -0.289 53.717 54.000 0.010 0.000 0.916 509 D CB 0.469 41.359 40.800 0.150 0.000 1.029 509 D HN 0.481 8.851 8.370 -0.000 0.000 0.498 510 K N 0.134 120.281 120.400 -0.421 0.000 2.097 510 K HA -0.088 4.233 4.320 0.001 0.000 0.206 510 K C 1.527 177.736 176.600 -0.651 0.000 1.049 510 K CA 1.060 56.717 56.287 -1.049 0.000 0.933 510 K CB 0.293 32.334 32.500 -0.764 0.000 0.717 510 K HN 0.086 8.336 8.250 -0.000 0.000 0.442 511 S N 1.021 116.548 115.700 -0.289 0.000 2.447 511 S HA -0.028 4.443 4.470 0.001 0.000 0.233 511 S C 1.113 175.670 174.600 -0.072 0.000 1.006 511 S CA 0.810 58.918 58.200 -0.153 0.000 0.957 511 S CB -0.132 63.018 63.200 -0.083 0.000 0.773 511 S HN 0.361 8.671 8.310 -0.000 0.000 0.507 512 N N 0.553 119.238 118.700 -0.026 0.000 2.322 512 N HA 0.162 4.902 4.740 0.001 0.000 0.194 512 N C -0.475 175.118 175.510 0.138 0.000 1.126 512 N CA 0.116 53.187 53.050 0.036 0.000 0.845 512 N CB -0.018 38.480 38.487 0.017 0.000 0.976 512 N HN 0.214 8.594 8.380 -0.000 0.000 0.475 513 F N 1.197 121.098 119.950 -0.083 0.000 2.496 513 F HA 0.211 4.739 4.527 0.001 0.000 0.344 513 F C 1.202 176.964 175.800 -0.062 0.000 1.155 513 F CA -0.821 57.130 58.000 -0.081 0.000 1.302 513 F CB 0.324 39.282 39.000 -0.070 0.000 1.159 513 F HN -0.204 8.096 8.300 -0.000 0.000 0.595 514 I N 3.154 123.793 120.570 0.114 0.000 2.330 514 I HA 0.137 4.308 4.170 0.001 0.000 0.289 514 I C 0.056 176.202 176.117 0.048 0.000 1.001 514 I CA -0.968 60.362 61.300 0.052 0.000 1.193 514 I CB 1.009 39.014 38.000 0.008 0.000 1.345 514 I HN 0.483 8.693 8.210 -0.000 0.000 0.461 515 E N 6.791 127.024 120.200 0.054 0.000 2.568 515 E HA -0.072 4.278 4.350 0.001 0.000 0.262 515 E C 0.689 177.303 176.600 0.022 0.000 0.961 515 E CA 0.485 56.912 56.400 0.045 0.000 0.945 515 E CB 0.518 30.238 29.700 0.034 0.000 0.924 515 E HN 0.835 9.195 8.360 -0.000 0.000 0.467 516 A N 2.458 125.288 122.820 0.018 0.000 2.799 516 A HA -0.275 4.046 4.320 0.001 0.000 0.287 516 A C 0.567 178.147 177.584 -0.007 0.000 1.484 516 A CA 1.754 53.793 52.037 0.004 0.000 0.813 516 A CB -1.634 17.369 19.000 0.006 0.000 1.009 516 A HN 0.826 8.976 8.150 -0.000 0.000 0.545 517 D N -2.277 118.113 120.400 -0.017 0.000 2.757 517 D HA 0.302 4.942 4.640 0.001 0.000 0.142 517 D C 0.153 176.418 176.300 -0.058 0.000 1.491 517 D CA 1.187 55.171 54.000 -0.027 0.000 1.531 517 D CB 0.288 41.080 40.800 -0.014 0.000 1.709 517 D HN 0.524 8.894 8.370 -0.000 0.000 0.246 518 S N -0.207 115.443 115.700 -0.084 0.000 2.556 518 S HA 0.621 5.091 4.470 0.001 0.000 0.271 518 S C -0.544 173.879 174.600 -0.296 0.000 1.135 518 S CA -0.705 57.406 58.200 -0.149 0.000 0.858 518 S CB 2.874 66.013 63.200 -0.100 0.000 1.114 518 S HN 0.133 8.443 8.310 -0.000 0.000 0.468 519 R N -0.024 120.194 120.500 -0.470 0.000 2.531 519 R HA 0.743 5.083 4.340 0.001 0.000 0.260 519 R C -0.596 175.424 176.300 -0.467 0.000 1.144 519 R CA -0.454 55.047 56.100 -0.997 0.000 1.171 519 R CB 0.805 30.476 30.300 -1.049 0.000 1.199 519 R HN 0.616 8.886 8.270 -0.000 0.000 0.594 520 C N 0.705 119.785 119.300 -0.367 0.000 2.880 520 C HA 0.583 5.043 4.460 0.001 0.000 0.320 520 C C -1.731 173.206 174.990 -0.089 0.000 1.176 520 C CA -0.660 58.319 59.018 -0.065 0.000 1.390 520 C CB 0.540 28.286 27.740 0.009 0.000 1.846 520 C HN 0.722 8.952 8.230 -0.000 0.000 0.478 521 Y N 2.622 122.991 120.300 0.116 0.000 2.462 521 Y HA 0.701 5.251 4.550 0.000 0.000 0.346 521 Y C 0.123 176.115 175.900 0.153 0.000 0.976 521 Y CA -0.490 57.703 58.100 0.156 0.000 1.044 521 Y CB 1.372 39.928 38.460 0.161 0.000 1.230 521 Y HN 0.704 8.984 8.280 -0.000 0.000 0.455 522 R N 2.638 123.294 120.500 0.260 0.000 2.460 522 R HA 0.639 4.980 4.340 0.001 0.000 0.303 522 R C -2.310 174.056 176.300 0.110 0.000 0.968 522 R CA -0.678 55.493 56.100 0.118 0.000 0.889 522 R CB 0.624 30.955 30.300 0.052 0.000 1.123 522 R HN 0.539 8.809 8.270 -0.000 0.000 0.455 523 F N 3.542 123.364 119.950 -0.213 0.000 2.689 523 F HA 0.384 4.911 4.527 0.000 0.000 0.332 523 F C -1.622 174.089 175.800 -0.149 0.000 1.209 523 F CA -0.936 56.907 58.000 -0.260 0.000 1.028 523 F CB 1.522 40.153 39.000 -0.615 0.000 1.291 523 F HN 0.593 8.893 8.300 -0.000 0.000 0.500 524 D N 5.903 125.883 120.400 -0.699 0.000 2.217 524 D HA 0.623 5.263 4.640 0.001 0.000 0.248 524 D C -0.428 175.405 176.300 -0.778 0.000 1.008 524 D CA 0.038 53.744 54.000 -0.490 0.000 0.914 524 D CB 2.423 43.106 40.800 -0.194 0.000 1.182 524 D HN 0.439 8.809 8.370 -0.000 0.000 0.451 525 I N 0.331 120.657 120.570 -0.406 0.000 2.608 525 I HA 0.278 4.449 4.170 0.001 0.000 0.295 525 I C -0.358 175.693 176.117 -0.109 0.000 1.049 525 I CA -0.541 60.581 61.300 -0.297 0.000 1.063 525 I CB 2.343 40.205 38.000 -0.230 0.000 1.248 525 I HN 0.031 8.241 8.210 -0.000 0.000 0.424 526 T N 6.267 120.787 114.554 -0.057 0.000 2.812 526 T HA 0.623 4.974 4.350 0.001 0.000 0.282 526 T C -0.240 174.462 174.700 0.004 0.000 0.990 526 T CA -0.481 61.602 62.100 -0.029 0.000 0.960 526 T CB 1.214 70.054 68.868 -0.047 0.000 0.948 526 T HN 0.250 8.490 8.240 -0.000 0.000 0.438 527 L N 1.926 123.153 121.223 0.007 0.000 2.335 527 L HA 0.611 4.951 4.340 0.001 0.000 0.268 527 L C 0.775 177.649 176.870 0.006 0.000 1.016 527 L CA -1.417 53.432 54.840 0.015 0.000 0.805 527 L CB 1.083 43.154 42.059 0.020 0.000 1.311 527 L HN 0.419 8.649 8.230 -0.000 0.000 0.456 528 R N -0.215 120.295 120.500 0.016 0.000 2.643 528 R HA 0.344 4.684 4.340 0.001 0.000 0.270 528 R C 0.005 176.434 176.300 0.215 0.000 1.061 528 R CA -0.009 56.133 56.100 0.069 0.000 1.107 528 R CB 0.429 30.775 30.300 0.077 0.000 0.999 528 R HN 0.780 9.050 8.270 -0.000 0.000 0.460 529 G N 1.314 110.205 108.800 0.151 0.000 2.432 529 G HA2 0.405 4.366 3.960 0.001 0.000 0.331 529 G HA3 0.405 4.366 3.960 0.001 0.000 0.331 529 G C -0.748 174.317 174.900 0.276 0.000 1.170 529 G CA -0.777 44.459 45.100 0.226 0.000 0.943 529 G HN 0.410 8.700 8.290 -0.000 0.000 0.483 530 R N 0.231 120.688 120.500 -0.071 0.000 2.459 530 R HA 0.350 4.690 4.340 0.001 0.000 0.281 530 R C 0.230 176.634 176.300 0.173 0.000 1.050 530 R CA -0.395 55.545 56.100 -0.267 0.000 1.055 530 R CB 1.264 31.179 30.300 -0.641 0.000 1.045 530 R HN 0.476 8.746 8.270 -0.000 0.000 0.495 531 R N 0.818 121.412 120.500 0.156 0.000 2.500 531 R HA 0.414 4.755 4.340 0.001 0.000 0.277 531 R C -0.377 176.016 176.300 0.156 0.000 1.026 531 R CA -0.601 55.552 56.100 0.088 0.000 1.058 531 R CB 1.359 31.691 30.300 0.055 0.000 1.078 531 R HN 0.539 8.809 8.270 -0.000 0.000 0.509 532 A N 1.217 124.013 122.820 -0.040 0.000 2.293 532 A HA 0.419 4.739 4.320 0.001 0.000 0.302 532 A C -0.336 177.025 177.584 -0.372 0.000 1.119 532 A CA -0.320 51.482 52.037 -0.391 0.000 0.823 532 A CB 1.012 19.628 19.000 -0.640 0.000 1.097 532 A HN 0.593 8.743 8.150 -0.000 0.000 0.491 533 T N 1.193 115.426 114.554 -0.536 0.000 2.794 533 T HA 0.485 4.836 4.350 0.001 0.000 0.280 533 T C -0.412 173.890 174.700 -0.663 0.000 0.987 533 T CA 0.297 62.178 62.100 -0.366 0.000 0.993 533 T CB 0.441 69.190 68.868 -0.198 0.000 0.939 533 T HN 0.534 8.774 8.240 -0.000 0.000 0.449 534 Y N 0.803 120.948 120.300 -0.257 0.000 2.432 534 Y HA 0.394 4.945 4.550 0.001 0.000 0.252 534 Y C 0.351 175.710 175.900 -0.902 0.000 1.097 534 Y CA -0.366 57.397 58.100 -0.560 0.000 1.250 534 Y CB 0.504 38.561 38.460 -0.671 0.000 1.245 534 Y HN 0.567 8.847 8.280 -0.000 0.000 0.522 535 F N -0.207 119.784 119.950 0.068 0.000 3.103 535 F HA 0.342 4.870 4.527 0.001 0.000 0.165 535 F C 0.386 176.189 175.800 0.005 0.000 1.556 535 F CA -1.208 56.815 58.000 0.038 0.000 0.907 535 F CB -0.444 38.581 39.000 0.041 0.000 1.988 535 F HN -0.445 7.855 8.300 -0.000 0.000 0.364 536 E N 1.078 121.408 120.200 0.218 0.000 2.414 536 E HA 0.078 4.428 4.350 0.001 0.000 0.263 536 E C -0.889 175.747 176.600 0.059 0.000 1.000 536 E CA 0.073 56.535 56.400 0.102 0.000 0.914 536 E CB 0.003 29.759 29.700 0.093 0.000 0.948 536 E HN 0.232 8.592 8.360 -0.000 0.000 0.444 537 N N 2.437 121.152 118.700 0.025 0.000 2.609 537 N HA 0.118 4.859 4.740 0.001 0.000 0.234 537 N C -0.894 174.631 175.510 0.024 0.000 1.001 537 N CA -0.248 52.807 53.050 0.009 0.000 0.926 537 N CB 0.664 39.140 38.487 -0.018 0.000 1.130 537 N HN 0.266 8.646 8.380 -0.000 0.000 0.510 538 D N 2.619 123.040 120.400 0.035 0.000 2.340 538 D HA -0.014 4.626 4.640 0.001 0.000 0.220 538 D C 1.534 177.858 176.300 0.040 0.000 1.039 538 D CA 0.011 54.033 54.000 0.038 0.000 0.866 538 D CB 0.336 41.161 40.800 0.043 0.000 0.913 538 D HN 0.425 8.795 8.370 -0.000 0.000 0.523 539 L N 0.016 121.265 121.223 0.042 0.000 2.127 539 L HA -0.059 4.282 4.340 0.001 0.000 0.211 539 L C 0.902 177.799 176.870 0.045 0.000 1.089 539 L CA 1.481 56.352 54.840 0.051 0.000 0.757 539 L CB -0.132 41.962 42.059 0.058 0.000 0.899 539 L HN -0.120 8.110 8.230 -0.000 0.000 0.434 540 T N 0.000 114.575 114.554 0.036 0.000 3.816 540 T HA 0.000 4.351 4.350 0.001 0.000 0.228 540 T CA 0.000 62.118 62.100 0.030 0.000 1.349 540 T CB 0.000 68.885 68.868 0.028 0.000 0.612 540 T HN 0.000 8.240 8.240 -0.000 0.000 0.658