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 2kbf_1_A DATA FIRST_RESID 296 DATA SEQUENCE TNEVNVDAIK QLYMDCKNEA DKFDVLTELY GLMTIGSSII FVATKKTANV DATA SEQUENCE LYGKLKSEGH EVSILHGDLQ TQERDRLIDD FREGRSKVLI TTNVLARGID DATA SEQUENCE IPTVSMVVNY DLPTLANGQA DPATYIHRIG RTGRFGRKGV AISFVHDKNS DATA SEQUENCE FNILSAIQKY FGDIEMTRVP TDDWDEVEKI VKKVLKD 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 296 T HA 0.000 4.271 4.350 -0.132 0.000 0.228 296 T C 0.000 174.586 174.700 -0.190 0.000 1.109 296 T CA 0.000 61.988 62.100 -0.187 0.000 1.349 296 T CB 0.000 68.762 68.868 -0.177 0.000 0.612 297 N N 2.208 120.842 118.700 -0.111 0.000 2.369 297 N HA 0.259 4.978 4.740 -0.036 0.000 0.287 297 N C -1.400 174.086 175.510 -0.039 0.000 1.067 297 N CA 0.448 53.469 53.050 -0.050 0.000 0.888 297 N CB 1.441 39.924 38.487 -0.006 0.000 1.616 297 N HN 0.246 8.569 8.380 -0.095 0.000 0.482 298 E N 0.195 120.383 120.200 -0.020 0.000 2.801 298 E HA 0.213 4.522 4.350 -0.068 0.000 0.212 298 E C -0.807 175.797 176.600 0.007 0.000 0.963 298 E CA 0.139 56.507 56.400 -0.054 0.000 1.247 298 E CB 1.426 31.047 29.700 -0.132 0.000 1.076 298 E HN 0.288 8.656 8.360 0.013 0.000 0.504 299 V N -0.848 119.103 119.914 0.063 0.000 3.034 299 V HA -0.058 4.132 4.120 0.116 0.000 0.243 299 V C -1.377 174.775 176.094 0.097 0.000 1.717 299 V CA 0.386 62.757 62.300 0.118 0.000 1.035 299 V CB 1.198 33.138 31.823 0.195 0.000 0.973 299 V HN -0.463 7.762 8.190 0.058 0.000 0.404 300 N N -0.674 118.092 118.700 0.109 0.000 2.568 300 N HA -0.223 4.638 4.740 0.203 0.000 0.277 300 N C -0.174 175.367 175.510 0.050 0.000 1.200 300 N CA 0.358 53.478 53.050 0.117 0.000 0.702 300 N CB 0.410 38.951 38.487 0.090 0.000 0.889 300 N HN -0.023 8.428 8.380 0.118 0.000 0.546 301 V N -0.724 119.203 119.914 0.021 0.000 3.025 301 V HA -0.348 3.760 4.120 -0.021 0.000 0.269 301 V C -0.430 175.631 176.094 -0.054 0.000 1.159 301 V CA 2.177 64.454 62.300 -0.040 0.000 1.171 301 V CB 0.023 31.788 31.823 -0.097 0.000 0.762 301 V HN 0.120 8.350 8.190 0.065 0.000 0.530 302 D N -3.209 117.157 120.400 -0.057 0.000 2.370 302 D HA -0.202 4.389 4.640 -0.083 0.000 0.256 302 D C 0.111 176.401 176.300 -0.017 0.000 1.197 302 D CA 1.465 55.432 54.000 -0.056 0.000 0.922 302 D CB -0.816 39.955 40.800 -0.048 0.000 0.911 302 D HN 0.129 8.315 8.370 -0.037 0.162 0.517 303 A N -3.454 119.365 122.820 -0.002 0.000 1.857 303 A HA 0.128 4.456 4.320 0.013 0.000 0.198 303 A C -0.748 176.846 177.584 0.017 0.000 1.775 303 A CA 0.639 52.687 52.037 0.018 0.000 1.281 303 A CB 1.642 20.669 19.000 0.044 0.000 1.355 303 A HN -0.600 7.327 8.150 -0.008 0.218 0.417 304 I N -0.660 119.917 120.570 0.011 0.000 2.308 304 I HA -0.075 4.246 4.170 0.010 -0.144 0.293 304 I C -0.349 175.766 176.117 -0.002 0.000 1.078 304 I CA -0.462 60.841 61.300 0.005 0.000 1.292 304 I CB -0.424 37.574 38.000 -0.003 0.000 1.423 304 I HN -0.558 7.562 8.210 0.008 0.094 0.493 305 K N 7.606 128.008 120.400 0.004 0.000 2.036 305 K HA -0.292 4.027 4.320 -0.001 0.000 0.246 305 K C -1.313 175.297 176.600 0.017 0.000 1.189 305 K CA 0.089 56.380 56.287 0.006 0.000 1.255 305 K CB -1.304 31.202 32.500 0.010 0.000 0.909 305 K HN 0.408 8.596 8.250 0.006 0.066 0.382 306 Q N 3.687 123.495 119.800 0.012 0.000 2.279 306 Q HA 0.351 5.036 4.340 0.061 -0.308 0.256 306 Q C -0.886 175.148 176.000 0.056 0.000 0.937 306 Q CA -0.234 55.593 55.803 0.041 0.000 0.933 306 Q CB 1.091 29.840 28.738 0.018 0.000 1.189 306 Q HN -0.062 8.210 8.270 -0.004 -0.004 0.417 307 L N 4.841 126.109 121.223 0.076 0.000 2.388 307 L HA 0.297 4.661 4.340 0.039 0.000 0.264 307 L C -2.246 174.665 176.870 0.068 0.000 0.998 307 L CA -0.524 54.340 54.840 0.041 0.000 0.817 307 L CB 4.047 46.099 42.059 -0.012 0.000 1.338 307 L HN 0.098 8.387 8.230 0.099 0.000 0.414 308 Y N 1.992 122.240 120.300 -0.086 0.000 2.331 308 Y HA 0.769 5.381 4.550 -0.199 -0.180 0.334 308 Y C -2.623 173.119 175.900 -0.263 0.000 0.960 308 Y CA -2.987 55.021 58.100 -0.154 0.000 1.130 308 Y CB 2.571 41.002 38.460 -0.048 0.000 1.164 308 Y HN 0.716 8.999 8.280 0.005 0.000 0.458 309 M N 6.295 125.554 119.600 -0.569 0.000 2.465 309 M HA 0.347 4.328 4.480 -0.831 0.000 0.316 309 M C -1.573 174.537 176.300 -0.316 0.000 1.121 309 M CA -0.701 54.133 55.300 -0.776 0.000 0.934 309 M CB 4.616 36.684 32.600 -0.886 0.000 1.692 309 M HN 0.148 8.106 8.290 -0.553 0.000 0.444 310 D N 3.919 124.281 120.400 -0.064 0.000 2.453 310 D HA 0.328 5.419 4.640 0.477 -0.165 0.223 310 D C 0.186 176.666 176.300 0.300 0.000 1.183 310 D CA -0.523 53.649 54.000 0.286 0.000 0.933 310 D CB -0.791 40.156 40.800 0.245 0.000 1.038 310 D HN -0.321 7.906 8.370 -0.238 0.000 0.513 311 C N 2.318 121.937 119.300 0.532 0.000 2.976 311 C HA -0.263 4.461 4.460 0.441 0.000 0.255 311 C C 0.606 175.621 174.990 0.041 0.000 1.379 311 C CA 0.276 59.526 59.018 0.386 0.000 1.682 311 C CB 0.975 28.885 27.740 0.284 0.000 1.999 311 C HN -0.273 8.367 8.230 0.683 0.000 0.628 312 K N -1.645 118.691 120.400 -0.107 0.000 2.556 312 K HA 0.078 4.172 4.320 -0.377 0.000 0.201 312 K C -1.265 175.148 176.600 -0.312 0.000 1.423 312 K CA 0.468 56.604 56.287 -0.252 0.000 1.010 312 K CB 1.986 34.416 32.500 -0.117 0.000 1.409 312 K HN 0.099 8.620 8.250 -0.092 -0.326 0.538 313 N N -2.239 116.342 118.700 -0.198 0.000 2.404 313 N HA 0.194 4.863 4.740 -0.118 0.000 0.297 313 N C 0.740 176.199 175.510 -0.086 0.000 1.163 313 N CA -1.131 51.837 53.050 -0.138 0.000 0.864 313 N CB 3.045 41.451 38.487 -0.135 0.000 1.247 313 N HN -0.409 7.864 8.380 -0.178 0.000 0.510 314 E N 1.918 122.117 120.200 -0.002 0.000 2.097 314 E HA -0.380 4.063 4.350 0.154 0.000 0.196 314 E C 1.087 177.647 176.600 -0.065 0.000 1.000 314 E CA 4.053 60.492 56.400 0.063 0.000 0.804 314 E CB -0.032 29.730 29.700 0.102 0.000 0.740 314 E HN 0.609 8.974 8.360 0.008 0.000 0.454 315 A N -2.001 120.753 122.820 -0.110 0.000 2.072 315 A HA -0.013 4.318 4.320 0.020 0.000 0.216 315 A C 0.931 178.068 177.584 -0.745 0.000 1.156 315 A CA 2.180 54.100 52.037 -0.195 0.000 0.701 315 A CB -0.943 18.086 19.000 0.049 0.000 0.816 315 A HN -0.055 8.049 8.150 -0.074 0.002 0.458 316 D N -1.236 118.865 120.400 -0.498 0.000 2.123 316 D HA -0.337 3.929 4.640 -0.622 0.000 0.196 316 D C 1.901 177.809 176.300 -0.654 0.000 0.992 316 D CA 3.231 56.907 54.000 -0.541 0.000 0.833 316 D CB -0.429 40.188 40.800 -0.304 0.000 0.954 316 D HN 0.193 8.241 8.370 -0.309 0.136 0.455 317 K N -1.883 118.230 120.400 -0.478 0.000 2.000 317 K HA -0.421 3.655 4.320 -0.408 0.000 0.218 317 K C 2.394 178.695 176.600 -0.498 0.000 1.053 317 K CA 3.080 59.160 56.287 -0.345 0.000 0.946 317 K CB -0.465 32.114 32.500 0.131 0.000 0.723 317 K HN -0.669 7.371 8.250 -0.340 0.007 0.446 318 F N -1.701 117.825 119.950 -0.708 0.000 2.113 318 F HA -0.317 4.198 4.527 -0.020 0.000 0.297 318 F C 1.262 176.907 175.800 -0.259 0.000 1.103 318 F CA 1.986 59.743 58.000 -0.404 0.000 1.248 318 F CB -0.854 37.773 39.000 -0.622 0.000 0.999 318 F HN -0.729 6.909 8.300 -1.102 0.000 0.475 319 D N -0.115 119.043 120.400 -2.071 0.000 2.084 319 D HA -0.284 4.081 4.640 -0.457 0.000 0.199 319 D C 2.225 178.167 176.300 -0.595 0.000 0.981 319 D CA 2.811 56.097 54.000 -1.190 0.000 0.841 319 D CB -0.153 39.809 40.800 -1.396 0.000 0.997 319 D HN 0.389 6.865 8.370 -3.158 0.000 0.454 320 V N 1.123 120.651 119.914 -0.644 0.000 2.527 320 V HA -0.404 3.788 4.120 -0.227 -0.208 0.255 320 V C 2.022 177.791 176.094 -0.542 0.000 1.081 320 V CA 3.077 65.108 62.300 -0.448 0.000 1.092 320 V CB -0.182 31.372 31.823 -0.449 0.000 0.673 320 V HN -0.016 7.592 8.190 -0.787 0.109 0.470 321 L N -0.534 120.246 121.223 -0.739 0.000 1.973 321 L HA -0.279 3.692 4.340 -0.615 0.000 0.208 321 L C 1.234 178.102 176.870 -0.004 0.000 1.073 321 L CA 3.546 58.094 54.840 -0.486 0.000 0.746 321 L CB -0.289 41.631 42.059 -0.231 0.000 0.891 321 L HN -0.440 7.300 8.230 -0.760 0.033 0.433 322 T N -0.332 114.264 114.554 0.070 0.000 2.962 322 T HA -0.402 4.263 4.350 0.525 0.000 0.270 322 T C 2.034 176.751 174.700 0.029 0.000 1.088 322 T CA 4.241 66.524 62.100 0.304 0.000 1.127 322 T CB -0.715 68.347 68.868 0.324 0.000 0.883 322 T HN -0.426 7.821 8.240 0.012 0.000 0.493 323 E N 2.704 122.834 120.200 -0.117 0.000 2.112 323 E HA -0.057 4.308 4.350 -0.328 -0.211 0.190 323 E C 1.366 177.865 176.600 -0.168 0.000 0.979 323 E CA 2.311 58.592 56.400 -0.198 0.000 0.814 323 E CB 0.147 29.793 29.700 -0.090 0.000 0.762 323 E HN 0.235 8.296 8.360 -0.124 0.224 0.460 324 L N -2.604 118.576 121.223 -0.072 0.000 2.079 324 L HA -0.252 4.038 4.340 -0.084 0.000 0.210 324 L C 2.005 178.872 176.870 -0.005 0.000 1.081 324 L CA 2.984 57.809 54.840 -0.026 0.000 0.752 324 L CB -0.511 41.605 42.059 0.095 0.000 0.896 324 L HN -0.116 7.849 8.230 -0.085 0.214 0.433 325 Y N -0.405 119.925 120.300 0.050 0.000 2.109 325 Y HA -0.210 4.363 4.550 0.039 0.000 0.285 325 Y C 1.359 177.280 175.900 0.035 0.000 1.131 325 Y CA 0.783 58.910 58.100 0.045 0.000 1.121 325 Y CB -1.062 37.433 38.460 0.059 0.000 0.987 325 Y HN -0.575 7.676 8.280 0.123 0.103 0.495 326 G N -2.239 105.557 108.800 -1.674 0.000 2.621 326 G HA2 -0.322 3.276 3.960 -0.605 0.000 0.215 326 G HA3 -0.322 3.025 3.960 -1.023 0.000 0.215 326 G C 0.268 175.020 174.900 -0.246 0.000 1.127 326 G CA 1.640 46.141 45.100 -0.999 0.000 0.747 326 G HN -0.274 6.495 8.290 -2.535 0.000 0.561 327 L N -2.394 118.743 121.223 -0.145 0.000 2.959 327 L HA 0.142 4.457 4.340 -0.040 0.000 0.259 327 L C -0.872 175.982 176.870 -0.027 0.000 1.185 327 L CA -0.741 54.059 54.840 -0.068 0.000 0.998 327 L CB 0.697 42.681 42.059 -0.126 0.000 1.337 327 L HN -0.835 7.010 8.230 -0.159 0.289 0.555 328 M N -3.544 116.081 119.600 0.042 0.000 2.511 328 M HA 0.374 4.864 4.480 0.016 0.000 0.387 328 M C -0.850 175.500 176.300 0.083 0.000 1.112 328 M CA -0.380 54.953 55.300 0.053 0.000 0.921 328 M CB 2.369 35.009 32.600 0.067 0.000 1.501 328 M HN 0.034 8.205 8.290 0.088 0.171 0.538 329 T N -0.667 113.951 114.554 0.106 0.000 0.582 329 T HA -0.282 4.139 4.350 0.118 0.000 0.769 329 T C -0.820 173.940 174.700 0.101 0.000 0.992 329 T CA 1.040 63.200 62.100 0.101 0.000 4.053 329 T CB 0.125 69.025 68.868 0.053 0.000 2.289 329 T HN -0.462 7.839 8.240 0.101 0.000 0.395 330 I N -3.022 117.609 120.570 0.102 0.000 5.139 330 I HA 0.157 4.340 4.170 0.021 0.000 0.334 330 I C 0.343 176.457 176.117 -0.006 0.000 1.217 330 I CA 0.350 61.667 61.300 0.028 0.000 1.448 330 I CB 0.936 38.917 38.000 -0.031 0.000 1.538 330 I HN -0.071 8.218 8.210 0.132 0.000 0.527 331 G N 0.580 109.388 108.800 0.014 0.000 2.159 331 G HA2 -0.250 3.714 3.960 0.007 0.000 0.227 331 G HA3 -0.250 3.699 3.960 -0.018 0.000 0.227 331 G C -1.200 173.674 174.900 -0.043 0.000 0.986 331 G CA 0.112 45.207 45.100 -0.009 0.000 0.651 331 G HN 0.137 8.467 8.290 0.067 0.000 0.523 332 S N -2.817 112.830 115.700 -0.087 0.000 2.664 332 S HA 0.162 4.740 4.470 -0.076 -0.153 0.271 332 S C -2.529 171.826 174.600 -0.409 0.000 0.950 332 S CA -0.463 57.652 58.200 -0.142 0.000 1.008 332 S CB 1.741 64.893 63.200 -0.080 0.000 1.279 332 S HN -0.594 7.606 8.310 -0.093 0.054 0.462 333 S N -1.593 113.893 115.700 -0.357 0.000 2.541 333 S HA 0.465 4.564 4.470 -0.618 0.000 0.271 333 S C -2.009 172.503 174.600 -0.147 0.000 1.133 333 S CA -0.894 56.988 58.200 -0.530 0.000 0.876 333 S CB 3.002 65.656 63.200 -0.910 0.000 1.105 333 S HN 0.325 8.552 8.310 -0.139 0.000 0.470 334 I N 2.315 122.831 120.570 -0.091 0.000 2.468 334 I HA 0.720 5.146 4.170 0.031 -0.237 0.284 334 I C -1.863 174.299 176.117 0.075 0.000 1.038 334 I CA -1.224 60.082 61.300 0.009 0.000 1.083 334 I CB 1.715 39.710 38.000 -0.008 0.000 1.223 334 I HN 0.267 8.398 8.210 -0.132 0.000 0.443 335 I N 8.211 128.853 120.570 0.120 0.000 2.740 335 I HA 0.969 5.421 4.170 0.180 -0.173 0.303 335 I C -1.846 174.407 176.117 0.227 0.000 1.044 335 I CA -3.052 58.351 61.300 0.172 0.000 1.064 335 I CB 4.377 42.486 38.000 0.181 0.000 1.249 335 I HN 0.202 8.475 8.210 0.106 0.000 0.433 336 F N 4.807 124.821 119.950 0.106 0.000 2.601 336 F HA 1.028 5.772 4.527 0.065 -0.178 0.309 336 F C -2.695 173.152 175.800 0.079 0.000 1.089 336 F CA -2.506 55.542 58.000 0.079 0.000 0.940 336 F CB 4.279 43.317 39.000 0.064 0.000 1.273 336 F HN -0.064 8.219 8.300 0.136 0.099 0.450 337 V N -3.677 116.169 119.914 -0.115 0.000 2.760 337 V HA 0.478 4.209 4.120 -0.963 -0.188 0.309 337 V C -0.566 175.587 176.094 0.099 0.000 1.077 337 V CA -2.003 60.048 62.300 -0.415 0.000 0.910 337 V CB 3.365 35.100 31.823 -0.146 0.000 1.008 337 V HN 0.092 8.561 8.190 0.466 0.000 0.424 338 A N 3.854 126.728 122.820 0.090 0.000 2.253 338 A HA -0.120 4.484 4.320 0.472 0.000 0.203 338 A C -1.147 176.509 177.584 0.120 0.000 1.272 338 A CA 1.927 54.127 52.037 0.271 0.000 0.847 338 A CB -0.585 18.514 19.000 0.167 0.000 0.772 338 A HN 0.944 8.768 8.150 -0.222 0.193 0.494 339 T N -5.863 108.737 114.554 0.077 0.000 2.886 339 T HA 0.199 4.581 4.350 0.052 0.000 0.292 339 T C 0.325 175.051 174.700 0.044 0.000 1.012 339 T CA -2.460 59.666 62.100 0.044 0.000 0.982 339 T CB 3.506 72.377 68.868 0.005 0.000 1.018 339 T HN -0.870 7.235 8.240 0.069 0.176 0.451 340 K N 5.229 125.651 120.400 0.038 0.000 2.001 340 K HA -0.383 3.934 4.320 -0.004 0.000 0.208 340 K C 1.458 178.027 176.600 -0.053 0.000 1.048 340 K CA 3.598 59.884 56.287 -0.001 0.000 0.932 340 K CB -0.724 31.794 32.500 0.030 0.000 0.715 340 K HN 0.616 8.893 8.250 0.044 0.000 0.437 341 K N 0.155 120.534 120.400 -0.035 0.000 2.113 341 K HA -0.204 4.073 4.320 -0.072 0.000 0.208 341 K C 1.842 178.400 176.600 -0.071 0.000 1.047 341 K CA 3.057 59.312 56.287 -0.054 0.000 0.928 341 K CB -0.993 31.489 32.500 -0.029 0.000 0.716 341 K HN 0.291 8.534 8.250 -0.012 0.000 0.446 342 T N 0.208 114.737 114.554 -0.043 0.000 2.652 342 T HA -0.381 3.925 4.350 -0.074 0.000 0.267 342 T C 1.378 176.012 174.700 -0.109 0.000 1.039 342 T CA 4.340 66.410 62.100 -0.050 0.000 1.153 342 T CB -0.398 68.483 68.868 0.022 0.000 0.863 342 T HN -0.202 8.015 8.240 -0.019 0.012 0.428 343 A N 0.505 123.289 122.820 -0.059 0.000 1.917 343 A HA -0.458 3.852 4.320 -0.018 0.000 0.219 343 A C 1.863 179.410 177.584 -0.062 0.000 1.182 343 A CA 3.317 55.327 52.037 -0.045 0.000 0.633 343 A CB -0.751 18.224 19.000 -0.042 0.000 0.819 343 A HN -0.539 7.519 8.150 -0.035 0.071 0.448 344 N N -1.151 117.488 118.700 -0.101 0.000 2.061 344 N HA -0.358 4.343 4.740 -0.064 0.000 0.193 344 N C 2.239 177.695 175.510 -0.090 0.000 1.030 344 N CA 3.360 56.355 53.050 -0.092 0.000 0.856 344 N CB -0.288 38.123 38.487 -0.126 0.000 1.023 344 N HN -0.545 7.672 8.380 -0.117 0.093 0.424 345 V N 0.966 120.752 119.914 -0.214 0.000 2.252 345 V HA -0.516 3.470 4.120 -0.223 0.000 0.249 345 V C 1.529 177.392 176.094 -0.385 0.000 1.056 345 V CA 4.376 66.449 62.300 -0.378 0.000 1.022 345 V CB 0.093 31.470 31.823 -0.743 0.000 0.641 345 V HN -0.456 7.532 8.190 -0.214 0.074 0.445 346 L N -1.443 119.517 121.223 -0.437 0.000 2.129 346 L HA -0.455 3.875 4.340 -0.016 0.000 0.212 346 L C 1.958 178.848 176.870 0.033 0.000 1.087 346 L CA 3.535 58.299 54.840 -0.127 0.000 0.757 346 L CB -0.357 41.688 42.059 -0.024 0.000 0.896 346 L HN -0.502 7.446 8.230 -0.470 0.000 0.434 347 Y N -0.868 119.385 120.300 -0.078 0.000 2.274 347 Y HA -0.366 4.187 4.550 0.006 0.000 0.290 347 Y C 2.085 177.965 175.900 -0.033 0.000 1.145 347 Y CA 3.023 61.102 58.100 -0.035 0.000 1.203 347 Y CB -0.312 38.111 38.460 -0.061 0.000 0.984 347 Y HN 0.393 8.604 8.280 0.092 0.124 0.533 348 G N -3.116 105.807 108.800 0.205 0.000 2.403 348 G HA2 -0.357 3.697 3.960 0.157 0.000 0.216 348 G HA3 -0.357 3.647 3.960 0.073 0.000 0.216 348 G C 0.628 175.571 174.900 0.071 0.000 1.154 348 G CA 1.369 46.542 45.100 0.122 0.000 0.784 348 G HN -0.192 8.043 8.290 0.124 0.130 0.538 349 K N 2.853 123.317 120.400 0.107 0.000 2.005 349 K HA -0.122 4.243 4.320 0.074 0.000 0.206 349 K C 1.942 178.580 176.600 0.063 0.000 1.044 349 K CA 2.252 58.607 56.287 0.115 0.000 0.942 349 K CB 0.138 32.794 32.500 0.260 0.000 0.727 349 K HN -0.497 7.741 8.250 0.119 0.084 0.439 350 L N -2.302 118.963 121.223 0.070 0.000 2.357 350 L HA -0.314 4.090 4.340 0.106 0.000 0.220 350 L C 2.073 178.932 176.870 -0.019 0.000 1.123 350 L CA 2.651 57.519 54.840 0.047 0.000 0.782 350 L CB -0.684 41.384 42.059 0.015 0.000 0.910 350 L HN 0.397 8.584 8.230 0.097 0.102 0.442 351 K N -2.312 118.047 120.400 -0.068 0.000 2.211 351 K HA -0.234 3.964 4.320 -0.102 0.061 0.201 351 K C 1.680 178.177 176.600 -0.172 0.000 1.052 351 K CA 2.410 58.615 56.287 -0.136 0.000 0.973 351 K CB -0.104 32.314 32.500 -0.136 0.000 0.766 351 K HN -0.507 7.540 8.250 -0.037 0.181 0.466 352 S N -0.020 115.627 115.700 -0.088 0.000 2.436 352 S HA -0.117 4.340 4.470 -0.021 0.000 0.228 352 S C 1.266 175.914 174.600 0.080 0.000 1.014 352 S CA 3.031 61.226 58.200 -0.008 0.000 0.950 352 S CB 0.247 63.444 63.200 -0.005 0.000 0.784 352 S HN 0.128 8.288 8.310 -0.049 0.121 0.504 353 E N -1.776 118.456 120.200 0.053 0.000 2.371 353 E HA 0.005 4.375 4.350 0.034 0.000 0.194 353 E C 0.371 177.023 176.600 0.086 0.000 1.012 353 E CA 0.922 57.352 56.400 0.050 0.000 0.860 353 E CB 0.624 30.335 29.700 0.018 0.000 0.811 353 E HN -0.272 8.084 8.360 0.034 0.024 0.502 354 G N -3.537 105.334 108.800 0.118 0.000 5.068 354 G HA2 0.115 4.140 3.960 0.108 0.000 0.218 354 G HA3 0.115 4.123 3.960 0.080 0.000 0.218 354 G C -1.385 173.624 174.900 0.180 0.000 0.891 354 G CA -0.317 44.854 45.100 0.119 0.000 0.776 354 G HN -0.732 7.477 8.290 0.107 0.146 0.284 355 H N -0.145 118.933 119.070 0.014 0.000 1.516 355 H HA -0.560 4.023 4.556 0.045 0.000 0.123 355 H C -0.826 174.513 175.328 0.019 0.000 2.202 355 H CA 2.280 58.345 56.048 0.028 0.000 1.862 355 H CB 0.004 29.785 29.762 0.032 0.000 2.210 355 H HN 0.482 8.820 8.280 0.250 0.092 0.942 356 E N -1.414 118.895 120.200 0.182 0.000 2.304 356 E HA -0.377 4.085 4.350 0.187 0.000 0.345 356 E C -2.031 174.630 176.600 0.102 0.000 1.692 356 E CA 1.148 57.635 56.400 0.144 0.000 1.272 356 E CB -0.852 28.911 29.700 0.104 0.000 0.542 356 E HN 0.053 8.560 8.360 0.245 0.000 0.354 357 V N 3.039 122.975 119.914 0.038 0.000 2.971 357 V HA 0.256 4.579 4.120 0.338 0.000 0.309 357 V C -2.329 173.700 176.094 -0.108 0.000 1.130 357 V CA -2.834 59.420 62.300 -0.077 0.000 0.964 357 V CB 3.093 34.516 31.823 -0.666 0.000 1.029 357 V HN -0.372 7.865 8.190 0.079 0.000 0.427 358 S N 4.643 120.245 115.700 -0.164 0.000 2.549 358 S HA 0.339 4.761 4.470 -0.079 0.000 0.297 358 S C -1.769 172.728 174.600 -0.171 0.000 1.115 358 S CA -1.867 56.115 58.200 -0.363 0.000 1.059 358 S CB 2.383 64.865 63.200 -1.197 0.000 1.046 358 S HN -0.014 8.324 8.310 0.046 0.000 0.506 359 I N 3.090 123.674 120.570 0.023 0.000 2.722 359 I HA 0.900 5.321 4.170 0.037 -0.229 0.295 359 I C -2.188 174.021 176.117 0.153 0.000 1.161 359 I CA -1.540 59.819 61.300 0.098 0.000 1.032 359 I CB 3.418 41.552 38.000 0.224 0.000 1.244 359 I HN 0.089 8.336 8.210 0.062 0.000 0.421 360 L N 6.831 128.165 121.223 0.185 0.000 2.439 360 L HA 0.514 5.040 4.340 0.310 0.000 0.270 360 L C -0.989 176.099 176.870 0.364 0.000 0.972 360 L CA -0.676 54.318 54.840 0.256 0.000 0.836 360 L CB 2.596 44.692 42.059 0.063 0.000 1.255 360 L HN 0.925 9.123 8.230 0.131 0.111 0.404 361 H N -0.188 118.889 119.070 0.013 0.000 3.205 361 H HA 0.247 4.900 4.556 0.026 -0.080 0.252 361 H C 0.847 176.178 175.328 0.004 0.000 1.015 361 H CA -0.918 55.141 56.048 0.019 0.000 1.192 361 H CB 1.071 30.851 29.762 0.030 0.000 1.474 361 H HN 0.307 8.697 8.280 0.184 0.000 0.484 362 G N -0.979 107.636 108.800 -0.308 0.000 2.367 362 G HA2 -0.282 3.589 3.960 -0.148 0.000 0.181 362 G HA3 -0.282 3.610 3.960 -0.114 0.000 0.181 362 G C -0.528 174.205 174.900 -0.279 0.000 1.000 362 G CA -0.087 44.890 45.100 -0.204 0.000 0.693 362 G HN -0.064 7.891 8.290 -0.559 0.000 0.480 363 D N 0.453 120.534 120.400 -0.530 0.000 1.966 363 D HA -0.131 4.402 4.640 -0.179 0.000 0.256 363 D C 0.514 176.673 176.300 -0.235 0.000 0.991 363 D CA 0.832 54.634 54.000 -0.330 0.000 0.928 363 D CB 0.379 40.991 40.800 -0.313 0.000 1.166 363 D HN -0.040 7.717 8.370 -1.021 0.000 0.469 364 L N -0.976 120.117 121.223 -0.216 0.000 2.870 364 L HA -0.340 3.962 4.340 -0.063 0.000 0.330 364 L C 0.089 176.903 176.870 -0.094 0.000 1.240 364 L CA 0.959 55.736 54.840 -0.104 0.000 0.847 364 L CB 0.084 42.102 42.059 -0.068 0.000 1.111 364 L HN 0.105 8.178 8.230 -0.262 0.000 0.542 365 Q N 0.860 120.626 119.800 -0.057 0.000 2.861 365 Q HA -0.302 4.008 4.340 -0.049 0.000 0.240 365 Q C 1.577 177.549 176.000 -0.047 0.000 1.162 365 Q CA 1.482 57.257 55.803 -0.046 0.000 1.078 365 Q CB 0.765 29.486 28.738 -0.028 0.000 1.349 365 Q HN 0.045 8.413 8.270 -0.043 -0.124 0.595 366 T N 0.886 115.418 114.554 -0.037 0.000 2.809 366 T HA -0.294 4.032 4.350 -0.040 0.000 0.260 366 T C 1.511 176.198 174.700 -0.021 0.000 1.039 366 T CA 4.674 66.755 62.100 -0.032 0.000 1.141 366 T CB -0.146 68.707 68.868 -0.025 0.000 0.869 366 T HN 0.274 8.495 8.240 -0.032 0.000 0.437 367 Q N 0.287 120.077 119.800 -0.016 0.000 2.096 367 Q HA -0.350 3.987 4.340 -0.005 0.000 0.208 367 Q C 1.895 177.891 176.000 -0.007 0.000 0.993 367 Q CA 3.495 59.293 55.803 -0.008 0.000 0.862 367 Q CB -1.043 27.692 28.738 -0.005 0.000 0.915 367 Q HN 0.422 8.682 8.270 -0.016 0.000 0.416 368 E N -0.163 120.031 120.200 -0.010 0.000 2.038 368 E HA -0.360 3.991 4.350 0.002 0.000 0.195 368 E C 2.430 179.025 176.600 -0.009 0.000 1.000 368 E CA 2.733 59.130 56.400 -0.006 0.000 0.803 368 E CB -0.743 28.951 29.700 -0.009 0.000 0.750 368 E HN 0.196 8.546 8.360 -0.015 0.002 0.448 369 R N -2.483 118.005 120.500 -0.021 0.000 2.153 369 R HA -0.435 3.889 4.340 -0.027 0.000 0.252 369 R C 2.289 178.576 176.300 -0.021 0.000 1.158 369 R CA 3.555 59.639 56.100 -0.026 0.000 0.975 369 R CB -0.485 29.795 30.300 -0.034 0.000 0.871 369 R HN -0.790 7.463 8.270 -0.028 0.000 0.450 370 D N -2.395 117.998 120.400 -0.011 0.000 2.144 370 D HA -0.163 4.475 4.640 -0.002 0.000 0.200 370 D C 1.949 178.253 176.300 0.007 0.000 0.978 370 D CA 3.048 57.047 54.000 -0.001 0.000 0.833 370 D CB -0.069 40.733 40.800 0.003 0.000 0.961 370 D HN -0.357 7.897 8.370 -0.011 0.109 0.470 371 R N -0.520 119.985 120.500 0.009 0.000 2.115 371 R HA -0.248 4.108 4.340 0.027 0.000 0.230 371 R C 2.489 178.806 176.300 0.028 0.000 1.111 371 R CA 3.009 59.122 56.100 0.022 0.000 0.976 371 R CB -0.108 30.205 30.300 0.021 0.000 0.870 371 R HN -0.025 8.111 8.270 0.004 0.136 0.445 372 L N -0.603 120.623 121.223 0.005 0.000 2.044 372 L HA -0.307 4.045 4.340 0.021 0.000 0.205 372 L C 2.223 179.074 176.870 -0.032 0.000 1.075 372 L CA 3.099 57.927 54.840 -0.021 0.000 0.747 372 L CB -0.468 41.546 42.059 -0.075 0.000 0.903 372 L HN 0.068 8.178 8.230 -0.004 0.118 0.435 373 I N -1.544 119.005 120.570 -0.035 0.000 2.264 373 I HA -0.511 3.640 4.170 -0.032 0.000 0.248 373 I C 2.255 178.427 176.117 0.092 0.000 1.111 373 I CA 1.223 62.526 61.300 0.006 0.000 1.382 373 I CB -1.982 36.020 38.000 0.003 0.000 1.060 373 I HN -0.384 7.805 8.210 -0.035 0.000 0.418 374 D N 1.093 121.537 120.400 0.073 0.000 2.084 374 D HA -0.368 4.318 4.640 0.076 0.000 0.194 374 D C 1.439 177.811 176.300 0.120 0.000 0.990 374 D CA 3.647 57.697 54.000 0.082 0.000 0.826 374 D CB -0.271 40.563 40.800 0.057 0.000 0.971 374 D HN -0.413 7.975 8.370 0.047 0.010 0.453 375 D N -0.688 119.797 120.400 0.141 0.000 2.182 375 D HA -0.285 4.593 4.640 0.124 -0.164 0.201 375 D C 1.846 178.309 176.300 0.271 0.000 0.986 375 D CA 3.426 57.534 54.000 0.180 0.000 0.847 375 D CB -0.122 40.796 40.800 0.196 0.000 0.942 375 D HN -0.610 7.829 8.370 0.114 0.000 0.467 376 F N -1.954 118.008 119.950 0.019 0.000 2.293 376 F HA -0.155 4.379 4.527 0.012 0.000 0.297 376 F C 1.713 177.518 175.800 0.008 0.000 1.089 376 F CA 1.871 59.877 58.000 0.011 0.000 1.377 376 F CB 0.228 39.232 39.000 0.007 0.000 1.051 376 F HN -0.574 7.836 8.300 0.392 0.126 0.511 377 R N 0.651 121.258 120.500 0.178 0.000 2.070 377 R HA -0.449 3.938 4.340 0.078 0.000 0.233 377 R C 2.292 178.616 176.300 0.039 0.000 1.137 377 R CA 3.908 60.060 56.100 0.086 0.000 0.945 377 R CB -0.099 30.246 30.300 0.075 0.000 0.845 377 R HN -0.005 8.277 8.270 0.204 0.111 0.430 378 E N -3.596 116.629 120.200 0.042 0.000 2.418 378 E HA -0.144 4.214 4.350 0.013 0.000 0.197 378 E C 1.000 177.594 176.600 -0.011 0.000 1.026 378 E CA 1.561 57.971 56.400 0.018 0.000 0.862 378 E CB -0.432 29.285 29.700 0.027 0.000 0.799 378 E HN -0.359 8.041 8.360 0.066 0.000 0.518 379 G N -2.529 106.248 108.800 -0.038 0.000 3.707 379 G HA2 0.128 4.041 3.960 -0.079 0.000 0.286 379 G HA3 0.128 3.997 3.960 -0.152 0.000 0.286 379 G C -0.544 174.253 174.900 -0.172 0.000 1.112 379 G CA -0.818 44.215 45.100 -0.112 0.000 0.861 379 G HN -0.536 7.560 8.290 -0.011 0.187 0.534 380 R N -2.397 118.040 120.500 -0.106 0.000 4.023 380 R HA -0.580 3.727 4.340 -0.056 0.000 0.368 380 R C -1.320 174.879 176.300 -0.168 0.000 1.187 380 R CA 1.460 57.499 56.100 -0.101 0.000 1.089 380 R CB -1.459 28.787 30.300 -0.090 0.000 1.574 380 R HN -0.397 7.757 8.270 -0.060 0.080 0.564 381 S N -5.256 110.253 115.700 -0.319 0.000 3.285 381 S HA -0.275 3.245 4.470 -1.566 0.011 0.852 381 S C -0.601 173.661 174.600 -0.564 0.000 1.066 381 S CA 0.874 58.720 58.200 -0.590 0.000 1.184 381 S CB 0.411 63.652 63.200 0.069 0.000 0.953 381 S HN 0.024 7.980 8.310 -0.303 0.173 0.299 382 K N 3.132 122.972 120.400 -0.933 0.000 2.167 382 K HA -0.048 4.149 4.320 -0.206 0.000 0.214 382 K C -1.461 175.128 176.600 -0.019 0.000 1.024 382 K CA 1.246 57.340 56.287 -0.321 0.000 0.951 382 K CB 1.636 33.969 32.500 -0.277 0.000 0.907 382 K HN -0.056 6.878 8.250 -2.194 0.000 0.459 383 V N -6.097 113.943 119.914 0.210 0.000 2.925 383 V HA 0.760 5.229 4.120 0.139 -0.266 0.311 383 V C -2.126 174.167 176.094 0.331 0.000 1.104 383 V CA -1.673 60.770 62.300 0.237 0.000 0.954 383 V CB 3.609 35.518 31.823 0.145 0.000 1.022 383 V HN -0.386 7.955 8.190 0.252 0.000 0.427 384 L N 3.963 125.268 121.223 0.136 0.000 2.438 384 L HA 0.917 5.429 4.340 -0.122 -0.246 0.270 384 L C -1.943 174.936 176.870 0.014 0.000 0.972 384 L CA -1.748 53.081 54.840 -0.017 0.000 0.831 384 L CB 3.572 45.589 42.059 -0.071 0.000 1.273 384 L HN 0.741 9.031 8.230 0.100 0.000 0.405 385 I N 1.396 121.973 120.570 0.011 0.000 2.569 385 I HA 1.165 5.678 4.170 0.105 -0.280 0.296 385 I C -1.054 175.120 176.117 0.095 0.000 1.028 385 I CA -2.348 58.997 61.300 0.074 0.000 1.082 385 I CB 3.010 41.052 38.000 0.071 0.000 1.264 385 I HN 0.669 8.861 8.210 -0.030 0.000 0.429 386 T N 3.324 117.971 114.554 0.155 0.000 2.787 386 T HA 0.731 5.219 4.350 0.157 -0.043 0.297 386 T C -1.960 172.894 174.700 0.257 0.000 1.221 386 T CA -2.326 59.873 62.100 0.164 0.000 1.006 386 T CB 2.681 71.607 68.868 0.097 0.000 1.328 386 T HN 0.456 8.823 8.240 0.210 0.000 0.509 387 T N 0.325 115.005 114.554 0.209 0.000 2.809 387 T HA 0.465 5.272 4.350 0.543 -0.131 0.284 387 T C 0.152 174.871 174.700 0.031 0.000 0.992 387 T CA -1.894 60.361 62.100 0.259 0.000 0.957 387 T CB 1.947 70.949 68.868 0.222 0.000 0.942 387 T HN -0.074 8.273 8.240 0.179 0.000 0.439 388 N N 3.339 121.896 118.700 -0.238 0.000 2.666 388 N HA -0.446 3.900 4.740 -0.656 0.000 0.249 388 N C -1.608 173.787 175.510 -0.191 0.000 1.063 388 N CA 2.035 54.881 53.050 -0.339 0.000 0.750 388 N CB -0.320 38.113 38.487 -0.091 0.000 0.992 388 N HN 0.589 8.762 8.380 -0.346 0.000 0.542 389 V N -4.452 115.358 119.914 -0.174 0.000 3.279 389 V HA 0.127 4.201 4.120 -0.076 0.000 0.296 389 V C -2.013 174.045 176.094 -0.058 0.000 1.470 389 V CA -1.166 61.087 62.300 -0.078 0.000 1.065 389 V CB 3.894 35.701 31.823 -0.027 0.000 1.124 389 V HN -0.762 7.261 8.190 -0.226 0.031 0.461 390 L N -1.477 119.727 121.223 -0.031 0.000 3.041 390 L HA 0.219 4.552 4.340 -0.011 0.000 0.278 390 L C -2.187 174.673 176.870 -0.017 0.000 1.051 390 L CA -1.038 53.789 54.840 -0.022 0.000 0.957 390 L CB 3.659 45.698 42.059 -0.034 0.000 1.538 390 L HN -0.175 8.039 8.230 -0.027 0.000 0.393 391 A N -1.763 121.044 122.820 -0.021 0.000 2.332 391 A HA 0.039 4.346 4.320 -0.021 0.000 0.258 391 A C 0.041 177.623 177.584 -0.002 0.000 1.087 391 A CA -0.177 51.848 52.037 -0.019 0.000 0.802 391 A CB 0.996 19.978 19.000 -0.031 0.000 1.042 391 A HN 0.019 8.153 8.150 -0.028 0.000 0.489 392 R N 0.924 121.425 120.500 0.002 0.000 2.580 392 R HA -0.103 4.250 4.340 0.022 0.000 0.267 392 R C 1.583 177.897 176.300 0.023 0.000 1.125 392 R CA -0.903 55.206 56.100 0.015 0.000 1.188 392 R CB 0.205 30.510 30.300 0.009 0.000 1.155 392 R HN 0.193 8.461 8.270 -0.004 0.000 0.586 393 G N -2.008 106.813 108.800 0.034 0.000 2.271 393 G HA2 -0.347 3.643 3.960 0.050 0.000 0.277 393 G HA3 -0.347 3.633 3.960 0.033 0.000 0.277 393 G C -0.386 174.540 174.900 0.043 0.000 1.004 393 G CA 0.942 46.067 45.100 0.041 0.000 0.679 393 G HN 0.337 8.648 8.290 0.035 0.000 0.540 394 I N -1.231 119.361 120.570 0.035 0.000 2.728 394 I HA -0.488 3.689 4.170 0.010 0.000 0.127 394 I C -1.077 175.056 176.117 0.027 0.000 0.882 394 I CA 1.348 62.662 61.300 0.022 0.000 2.784 394 I CB -1.936 36.073 38.000 0.015 0.000 0.550 394 I HN -0.628 7.429 8.210 0.032 0.172 0.353 395 D N 2.268 122.687 120.400 0.031 0.000 2.706 395 D HA 0.065 4.727 4.640 0.036 0.000 0.236 395 D C -0.518 175.807 176.300 0.040 0.000 1.231 395 D CA -0.461 53.560 54.000 0.036 0.000 0.828 395 D CB 0.503 41.325 40.800 0.037 0.000 1.015 395 D HN 0.097 8.498 8.370 0.029 -0.014 0.484 396 I N -3.114 117.479 120.570 0.039 0.000 2.437 396 I HA 0.320 4.540 4.170 0.084 0.000 0.298 396 I C -2.249 173.890 176.117 0.036 0.000 0.984 396 I CA -3.565 57.775 61.300 0.066 0.000 1.214 396 I CB 0.183 38.243 38.000 0.099 0.000 1.365 396 I HN -0.627 7.497 8.210 0.024 0.100 0.469 397 P HA -0.181 4.239 4.420 0.001 0.000 0.231 397 P C -0.521 176.770 177.300 -0.014 0.000 1.210 397 P CA 0.031 63.135 63.100 0.006 0.000 1.332 397 P CB -1.363 30.337 31.700 0.001 0.000 1.594 398 T N 3.158 117.690 114.554 -0.037 0.000 2.870 398 T HA -0.421 3.882 4.350 -0.078 0.000 0.311 398 T C -0.677 173.981 174.700 -0.069 0.000 1.052 398 T CA 1.434 63.490 62.100 -0.073 0.000 1.131 398 T CB 0.898 69.697 68.868 -0.114 0.000 1.082 398 T HN -0.253 7.960 8.240 -0.035 0.006 0.511 399 V N 0.672 120.533 119.914 -0.088 0.000 2.513 399 V HA 0.224 4.289 4.120 -0.091 0.000 0.299 399 V C -0.723 175.312 176.094 -0.098 0.000 1.035 399 V CA -1.858 60.377 62.300 -0.108 0.000 0.889 399 V CB 2.467 34.187 31.823 -0.172 0.000 0.988 399 V HN -0.150 7.983 8.190 -0.094 0.000 0.440 400 S N 3.934 119.588 115.700 -0.075 0.000 2.795 400 S HA -0.138 4.307 4.470 -0.040 0.000 0.236 400 S C -0.800 173.779 174.600 -0.036 0.000 0.973 400 S CA 2.052 60.227 58.200 -0.043 0.000 0.982 400 S CB -0.074 63.116 63.200 -0.016 0.000 0.786 400 S HN 0.665 8.932 8.310 -0.071 0.000 0.538 401 M N 0.118 119.671 119.600 -0.079 0.000 2.149 401 M HA 0.150 4.642 4.480 0.021 0.000 0.273 401 M C -2.899 173.372 176.300 -0.048 0.000 0.972 401 M CA -0.544 54.729 55.300 -0.046 0.000 0.984 401 M CB 3.431 35.973 32.600 -0.097 0.000 1.699 401 M HN -0.920 7.112 8.290 -0.120 0.185 0.462 402 V N 8.914 128.841 119.914 0.022 0.000 2.612 402 V HA 1.184 5.600 4.120 0.036 -0.275 0.301 402 V C -2.636 173.533 176.094 0.124 0.000 1.059 402 V CA -2.340 59.987 62.300 0.044 0.000 0.886 402 V CB 2.793 34.615 31.823 -0.002 0.000 1.007 402 V HN 0.230 8.448 8.190 0.047 0.000 0.426 403 V N 4.180 124.197 119.914 0.172 0.000 3.377 403 V HA 0.171 4.455 4.120 0.274 0.000 0.295 403 V C -3.070 173.141 176.094 0.195 0.000 1.955 403 V CA -0.031 62.408 62.300 0.231 0.000 0.951 403 V CB 0.876 32.855 31.823 0.260 0.000 1.102 403 V HN 0.772 9.055 8.190 0.155 0.000 0.473 404 N N -2.724 116.078 118.700 0.171 0.000 3.373 404 N HA 0.272 5.149 4.740 0.228 0.000 0.275 404 N C -1.814 173.814 175.510 0.196 0.000 1.489 404 N CA 0.173 53.301 53.050 0.130 0.000 0.872 404 N CB 2.095 40.487 38.487 -0.159 0.000 1.555 404 N HN -0.209 8.297 8.380 0.209 0.000 0.500 405 Y N -3.897 116.433 120.300 0.049 0.000 2.430 405 Y HA 0.147 4.788 4.550 0.151 0.000 0.248 405 Y C -1.587 174.303 175.900 -0.016 0.000 1.108 405 Y CA -0.896 57.262 58.100 0.097 0.000 1.264 405 Y CB 1.484 40.044 38.460 0.167 0.000 1.172 405 Y HN 0.353 8.915 8.280 0.470 0.000 0.520 406 D N 0.910 120.752 120.400 -0.931 0.000 3.008 406 D HA 0.230 4.360 4.640 -0.851 0.000 0.312 406 D C -0.364 175.557 176.300 -0.632 0.000 1.361 406 D CA -1.599 51.845 54.000 -0.927 0.000 0.858 406 D CB 0.641 40.860 40.800 -0.967 0.000 1.098 406 D HN 0.209 8.405 8.370 -0.508 -0.131 0.482 407 L N -0.795 120.066 121.223 -0.605 0.000 2.092 407 L HA -0.174 3.331 4.340 -1.391 0.000 0.184 407 L C -0.454 176.307 176.870 -0.182 0.000 1.024 407 L CA 1.262 55.733 54.840 -0.615 0.000 0.893 407 L CB -2.004 39.825 42.059 -0.383 0.000 1.094 407 L HN -0.826 6.981 8.230 -0.513 0.115 0.594 408 P HA 0.060 4.628 4.420 0.247 0.000 0.341 408 P C -1.089 176.254 177.300 0.073 0.000 1.332 408 P CA -0.428 62.815 63.100 0.238 0.000 0.769 408 P CB 1.239 33.133 31.700 0.323 0.000 1.726 409 T N -3.872 110.727 114.554 0.076 0.000 2.718 409 T HA 0.157 4.517 4.350 0.017 0.000 0.306 409 T C -0.537 174.191 174.700 0.047 0.000 1.485 409 T CA -2.403 59.718 62.100 0.035 0.000 0.997 409 T CB 1.885 70.760 68.868 0.012 0.000 1.504 409 T HN -0.142 8.348 8.240 0.101 -0.189 0.497 410 L N -1.697 119.550 121.223 0.039 0.000 2.884 410 L HA -0.278 4.261 4.340 0.061 -0.162 0.294 410 L C -0.599 176.296 176.870 0.043 0.000 1.164 410 L CA 1.219 56.088 54.840 0.047 0.000 0.918 410 L CB -1.574 40.509 42.059 0.039 0.000 1.281 410 L HN 0.180 8.427 8.230 0.027 0.000 0.478 411 A N 5.023 127.869 122.820 0.043 0.000 1.970 411 A HA 0.029 4.368 4.320 0.032 0.000 0.204 411 A C 0.344 177.944 177.584 0.028 0.000 1.325 411 A CA 0.963 53.019 52.037 0.032 0.000 0.767 411 A CB 0.905 19.921 19.000 0.027 0.000 0.949 411 A HN 0.102 8.279 8.150 0.046 0.000 0.481 412 N N -0.512 118.207 118.700 0.032 0.000 2.434 412 N HA -0.101 4.653 4.740 0.023 0.000 0.196 412 N C 0.211 175.747 175.510 0.043 0.000 1.183 412 N CA -0.307 52.764 53.050 0.034 0.000 0.849 412 N CB -0.059 38.453 38.487 0.041 0.000 0.992 412 N HN -0.039 8.362 8.380 0.035 0.000 0.460 413 G N -3.786 105.039 108.800 0.042 0.000 2.141 413 G HA2 -0.274 3.703 3.960 0.029 0.000 0.164 413 G HA3 -0.274 3.705 3.960 0.033 0.000 0.164 413 G C -1.954 172.974 174.900 0.047 0.000 1.009 413 G CA -0.139 44.983 45.100 0.037 0.000 0.677 413 G HN 0.178 8.375 8.290 0.041 0.117 0.508 414 Q N -2.510 117.329 119.800 0.065 0.000 2.766 414 Q HA -0.047 4.323 4.340 0.051 0.000 0.240 414 Q C -1.491 174.571 176.000 0.103 0.000 0.993 414 Q CA -1.468 54.382 55.803 0.078 0.000 1.006 414 Q CB 1.368 30.164 28.738 0.096 0.000 1.804 414 Q HN -0.621 7.687 8.270 0.064 0.000 0.464 415 A N 3.687 126.555 122.820 0.080 0.000 2.219 415 A HA -0.289 4.122 4.320 0.049 -0.062 0.315 415 A C -1.162 176.479 177.584 0.095 0.000 0.856 415 A CA 1.234 53.319 52.037 0.079 0.000 1.357 415 A CB -0.160 18.892 19.000 0.086 0.000 0.666 415 A HN 0.450 8.633 8.150 0.056 0.000 0.278 416 D N 0.469 120.913 120.400 0.073 0.000 2.485 416 D HA 0.236 4.880 4.640 0.007 0.000 0.221 416 D C -0.699 175.658 176.300 0.095 0.000 1.112 416 D CA -3.113 50.918 54.000 0.053 0.000 0.911 416 D CB -0.247 40.588 40.800 0.057 0.000 1.019 416 D HN -0.037 8.330 8.370 0.068 0.043 0.516 417 P HA -0.001 4.622 4.420 0.337 0.000 0.226 417 P C 0.732 178.081 177.300 0.081 0.000 1.161 417 P CA 1.431 64.623 63.100 0.154 0.000 0.804 417 P CB 0.274 32.035 31.700 0.101 0.000 0.829 418 A N -0.416 122.386 122.820 -0.031 0.000 1.873 418 A HA -0.340 3.956 4.320 -0.041 0.000 0.218 418 A C 1.703 179.316 177.584 0.049 0.000 1.193 418 A CA 3.648 55.665 52.037 -0.034 0.000 0.629 418 A CB -1.188 17.756 19.000 -0.093 0.000 0.826 418 A HN 0.462 8.549 8.150 -0.105 0.000 0.447 419 T N 0.779 115.382 114.554 0.081 0.000 2.737 419 T HA -0.369 4.054 4.350 0.122 0.000 0.265 419 T C 1.405 176.231 174.700 0.209 0.000 1.038 419 T CA 4.982 67.157 62.100 0.125 0.000 1.144 419 T CB -0.158 68.771 68.868 0.100 0.000 0.866 419 T HN -0.113 8.164 8.240 0.062 0.000 0.434 420 Y N 2.526 122.915 120.300 0.148 0.000 2.193 420 Y HA -0.430 4.327 4.550 0.344 0.000 0.285 420 Y C 1.341 177.344 175.900 0.172 0.000 1.166 420 Y CA 2.181 60.406 58.100 0.208 0.000 1.181 420 Y CB -0.621 37.927 38.460 0.148 0.000 0.976 420 Y HN -0.820 7.659 8.280 0.332 0.000 0.520 421 I N -1.264 119.155 120.570 -0.252 0.000 2.133 421 I HA -0.590 3.179 4.170 -0.668 0.000 0.238 421 I C 1.138 177.204 176.117 -0.085 0.000 1.074 421 I CA 4.347 65.450 61.300 -0.329 0.000 1.342 421 I CB 0.088 38.026 38.000 -0.103 0.000 1.053 421 I HN 0.176 8.256 8.210 -0.028 0.113 0.404 422 H N -1.045 118.000 119.070 -0.042 0.000 2.535 422 H HA -0.285 4.289 4.556 0.031 0.000 0.273 422 H C 2.363 177.701 175.328 0.018 0.000 0.983 422 H CA 2.612 58.667 56.048 0.011 0.000 1.238 422 H CB 0.794 30.568 29.762 0.020 0.000 1.412 422 H HN -0.413 7.952 8.280 0.141 0.000 0.562 423 R N -0.570 119.919 120.500 -0.018 0.000 2.171 423 R HA -0.294 3.926 4.340 -0.200 0.000 0.226 423 R C 2.158 178.406 176.300 -0.086 0.000 1.113 423 R CA 3.134 59.183 56.100 -0.084 0.000 0.887 423 R CB -0.124 30.289 30.300 0.189 0.000 0.830 423 R HN 0.632 8.720 8.270 0.093 0.238 0.432 424 I N -4.872 115.786 120.570 0.146 0.000 2.494 424 I HA 0.057 4.282 4.170 0.092 0.000 0.250 424 I C 1.511 177.610 176.117 -0.031 0.000 1.112 424 I CA 0.926 62.301 61.300 0.125 0.000 1.438 424 I CB -0.297 37.868 38.000 0.275 0.000 1.111 424 I HN -0.796 7.578 8.210 0.274 0.000 0.431 425 G N -0.001 108.772 108.800 -0.046 0.000 2.697 425 G HA2 -0.464 3.469 3.960 -0.045 0.000 0.223 425 G HA3 -0.464 3.592 3.960 -0.063 -0.134 0.223 425 G C 0.802 175.619 174.900 -0.139 0.000 1.083 425 G CA 2.034 47.091 45.100 -0.072 0.000 0.722 425 G HN -0.171 8.108 8.290 -0.020 0.000 0.604 426 R N -0.274 120.077 120.500 -0.249 0.000 2.293 426 R HA -0.317 3.842 4.340 -0.301 0.000 0.219 426 R C 0.991 177.051 176.300 -0.399 0.000 1.091 426 R CA 1.463 57.349 56.100 -0.356 0.000 1.004 426 R CB -0.208 29.849 30.300 -0.405 0.000 0.865 426 R HN -0.710 7.292 8.270 -0.263 0.111 0.469 427 T N -3.783 110.622 114.554 -0.248 0.000 12.282 427 T HA -0.492 3.776 4.350 -0.136 0.000 0.404 427 T C -0.028 174.522 174.700 -0.250 0.000 1.460 427 T CA 2.422 64.393 62.100 -0.214 0.000 2.303 427 T CB -0.827 67.911 68.868 -0.217 0.000 2.746 427 T HN 0.333 8.282 8.240 -0.174 0.187 0.738 428 G N 1.599 110.174 108.800 -0.375 0.000 3.403 428 G HA2 0.011 3.829 3.960 -0.236 0.000 0.156 428 G HA3 0.011 3.861 3.960 -0.183 0.000 0.156 428 G C -1.924 172.729 174.900 -0.413 0.000 1.210 428 G CA -0.117 44.806 45.100 -0.294 0.000 1.452 428 G HN -0.013 7.989 8.290 -0.499 -0.012 0.720 429 R N 2.659 123.027 120.500 -0.221 0.000 2.408 429 R HA 0.151 4.514 4.340 0.038 0.000 0.308 429 R C -0.773 175.506 176.300 -0.036 0.000 1.210 429 R CA -0.840 55.222 56.100 -0.063 0.000 1.115 429 R CB -1.658 28.659 30.300 0.028 0.000 1.127 429 R HN 0.163 8.343 8.270 -0.150 0.000 0.523 430 F N 1.914 121.872 119.950 0.013 0.000 2.460 430 F HA -0.286 4.247 4.527 0.010 0.000 0.413 430 F C 1.266 177.072 175.800 0.011 0.000 0.967 430 F CA 0.649 58.657 58.000 0.013 0.000 1.122 430 F CB -0.352 38.660 39.000 0.019 0.000 0.927 430 F HN -0.231 7.742 8.300 -0.544 0.000 0.527 431 G N 5.528 114.409 108.800 0.135 0.000 2.512 431 G HA2 0.074 4.096 3.960 0.103 0.000 0.193 431 G HA3 0.074 4.070 3.960 0.060 0.000 0.193 431 G C -0.555 174.385 174.900 0.067 0.000 1.278 431 G CA 0.234 45.387 45.100 0.089 0.000 0.722 431 G HN 0.400 8.742 8.290 0.086 0.000 0.925 432 R N -0.265 120.268 120.500 0.056 0.000 2.755 432 R HA 0.194 4.559 4.340 0.043 0.000 0.099 432 R C -0.903 175.424 176.300 0.045 0.000 0.950 432 R CA -0.614 55.511 56.100 0.041 0.000 0.769 432 R CB 0.610 30.924 30.300 0.023 0.000 0.657 432 R HN -0.326 7.974 8.270 0.051 0.000 0.357 433 K N 1.763 122.180 120.400 0.027 0.000 2.592 433 K HA 0.290 4.634 4.320 0.040 0.000 0.212 433 K C -0.063 176.544 176.600 0.012 0.000 1.013 433 K CA -1.176 55.126 56.287 0.026 0.000 1.034 433 K CB -0.195 32.315 32.500 0.018 0.000 1.292 433 K HN 0.002 8.263 8.250 0.019 0.000 0.521 434 G N 0.411 109.215 108.800 0.006 0.000 2.846 434 G HA2 -0.125 3.814 3.960 -0.035 0.000 0.257 434 G HA3 -0.125 3.809 3.960 -0.043 0.000 0.257 434 G C -2.189 172.707 174.900 -0.007 0.000 1.253 434 G CA -0.286 44.801 45.100 -0.023 0.000 0.918 434 G HN 0.293 8.597 8.290 0.023 0.000 0.597 435 V N -2.393 117.517 119.914 -0.007 0.000 2.577 435 V HA 0.360 4.502 4.120 0.014 -0.014 0.294 435 V C -2.801 173.314 176.094 0.035 0.000 1.052 435 V CA -1.919 60.390 62.300 0.015 0.000 0.891 435 V CB 2.192 34.028 31.823 0.022 0.000 1.017 435 V HN 0.374 8.552 8.190 -0.020 0.000 0.436 436 A N 8.058 130.906 122.820 0.046 0.000 2.312 436 A HA 1.193 5.840 4.320 0.103 -0.265 0.326 436 A C -0.942 176.732 177.584 0.151 0.000 1.172 436 A CA -2.802 49.292 52.037 0.096 0.000 0.821 436 A CB 2.512 21.552 19.000 0.067 0.000 1.166 436 A HN 0.260 8.427 8.150 0.029 0.000 0.493 437 I N -0.321 120.375 120.570 0.211 0.000 2.730 437 I HA 0.777 5.220 4.170 0.179 -0.166 0.298 437 I C -1.162 175.127 176.117 0.287 0.000 1.089 437 I CA -1.668 59.767 61.300 0.224 0.000 1.041 437 I CB 3.610 41.753 38.000 0.239 0.000 1.235 437 I HN -0.339 8.004 8.210 0.221 0.000 0.423 438 S N 0.906 116.734 115.700 0.214 0.000 2.549 438 S HA 0.882 5.789 4.470 0.278 -0.271 0.280 438 S C -1.173 173.510 174.600 0.138 0.000 1.109 438 S CA -1.968 56.352 58.200 0.199 0.000 0.905 438 S CB 3.647 66.864 63.200 0.028 0.000 1.081 438 S HN 0.204 8.590 8.310 0.127 0.000 0.477 439 F N 2.555 122.616 119.950 0.185 0.000 2.445 439 F HA 0.715 5.656 4.527 0.315 -0.225 0.348 439 F C -0.087 175.846 175.800 0.222 0.000 1.125 439 F CA -1.180 56.967 58.000 0.245 0.000 0.983 439 F CB 2.372 41.502 39.000 0.217 0.000 1.198 439 F HN -0.324 8.260 8.300 0.474 0.000 0.436 440 V N 0.230 120.318 119.914 0.290 0.000 2.409 440 V HA 0.405 4.647 4.120 0.203 0.000 0.291 440 V C -1.659 174.614 176.094 0.299 0.000 1.020 440 V CA -1.434 60.976 62.300 0.184 0.000 0.848 440 V CB 0.881 32.664 31.823 -0.067 0.000 0.990 440 V HN -0.160 8.216 8.190 0.310 0.000 0.430 441 H N 4.943 124.128 119.070 0.192 0.000 2.865 441 H HA 0.348 5.004 4.556 0.167 0.000 0.247 441 H C -2.014 173.389 175.328 0.124 0.000 1.181 441 H CA -0.373 55.776 56.048 0.167 0.000 0.975 441 H CB 1.616 31.483 29.762 0.175 0.000 1.899 441 H HN 0.010 8.474 8.280 0.306 0.000 0.651 442 D N -1.284 119.065 120.400 -0.085 0.000 2.738 442 D HA 0.160 4.627 4.640 -0.287 0.000 0.237 442 D C 0.455 176.741 176.300 -0.025 0.000 1.123 442 D CA -1.642 52.282 54.000 -0.125 0.000 0.856 442 D CB 2.951 43.748 40.800 -0.006 0.000 1.552 442 D HN -0.729 7.673 8.370 0.053 0.000 0.480 443 K N 5.798 126.185 120.400 -0.023 0.000 2.077 443 K HA -0.479 3.920 4.320 0.133 0.000 0.213 443 K C 1.383 178.015 176.600 0.052 0.000 1.051 443 K CA 3.661 59.982 56.287 0.057 0.000 0.929 443 K CB 0.051 32.572 32.500 0.034 0.000 0.715 443 K HN 0.596 8.805 8.250 -0.069 0.000 0.451 444 N N -3.741 114.969 118.700 0.017 0.000 2.443 444 N HA -0.234 4.502 4.740 -0.006 0.000 0.184 444 N C 2.019 177.518 175.510 -0.018 0.000 1.037 444 N CA 2.592 55.641 53.050 -0.002 0.000 0.896 444 N CB -0.255 38.229 38.487 -0.005 0.000 0.959 444 N HN -0.144 8.246 8.380 0.009 -0.005 0.442 445 S N 0.550 116.253 115.700 0.004 0.000 2.371 445 S HA -0.209 4.228 4.470 -0.055 0.000 0.219 445 S C 1.033 175.620 174.600 -0.022 0.000 1.040 445 S CA 3.858 62.050 58.200 -0.012 0.000 0.958 445 S CB 0.273 63.498 63.200 0.043 0.000 0.860 445 S HN 0.589 8.742 8.310 0.020 0.169 0.487 446 F N 2.887 122.770 119.950 -0.113 0.000 2.269 446 F HA -0.323 4.081 4.527 -0.204 0.000 0.301 446 F C 0.735 176.475 175.800 -0.100 0.000 1.082 446 F CA 2.502 60.424 58.000 -0.129 0.000 1.360 446 F CB 0.189 39.141 39.000 -0.080 0.000 1.041 446 F HN 0.502 8.784 8.300 0.174 0.122 0.512 447 N N -0.115 118.491 118.700 -0.157 0.000 2.148 447 N HA -0.238 4.301 4.740 -0.335 0.000 0.186 447 N C 2.160 177.547 175.510 -0.206 0.000 1.031 447 N CA 3.202 56.124 53.050 -0.214 0.000 0.848 447 N CB 0.411 38.855 38.487 -0.071 0.000 1.005 447 N HN 0.420 8.659 8.380 -0.006 0.137 0.427 448 I N 0.242 120.726 120.570 -0.142 0.000 2.208 448 I HA -0.440 3.681 4.170 -0.081 0.000 0.245 448 I C 1.607 177.634 176.117 -0.151 0.000 1.097 448 I CA 3.439 64.668 61.300 -0.117 0.000 1.363 448 I CB -0.495 37.441 38.000 -0.106 0.000 1.051 448 I HN -0.465 7.679 8.210 -0.110 0.000 0.413 449 L N 0.128 121.216 121.223 -0.225 0.000 2.017 449 L HA -0.412 3.821 4.340 -0.178 0.000 0.208 449 L C 1.790 178.518 176.870 -0.237 0.000 1.073 449 L CA 4.125 58.817 54.840 -0.247 0.000 0.745 449 L CB -0.149 41.683 42.059 -0.379 0.000 0.894 449 L HN 0.282 8.366 8.230 -0.235 0.005 0.432 450 S N -1.153 114.313 115.700 -0.391 0.000 2.400 450 S HA -0.498 3.798 4.470 -0.291 0.000 0.232 450 S C 1.747 176.256 174.600 -0.152 0.000 1.025 450 S CA 4.140 62.131 58.200 -0.349 0.000 0.993 450 S CB -0.402 62.461 63.200 -0.562 0.000 0.808 450 S HN -0.518 7.475 8.310 -0.529 0.000 0.478 451 A N 1.984 124.736 122.820 -0.114 0.000 1.855 451 A HA -0.238 4.075 4.320 -0.011 0.000 0.215 451 A C 1.724 179.361 177.584 0.089 0.000 1.191 451 A CA 3.094 55.127 52.037 -0.006 0.000 0.613 451 A CB -0.871 18.133 19.000 0.007 0.000 0.829 451 A HN -0.169 7.775 8.150 -0.161 0.109 0.442 452 I N -2.420 118.204 120.570 0.090 0.000 2.236 452 I HA -0.518 3.783 4.170 0.220 0.000 0.249 452 I C 2.411 178.654 176.117 0.208 0.000 1.102 452 I CA 1.943 63.352 61.300 0.183 0.000 1.365 452 I CB -2.000 36.125 38.000 0.208 0.000 1.051 452 I HN -0.173 8.054 8.210 0.028 0.000 0.420 453 Q N -1.593 118.280 119.800 0.122 0.000 2.187 453 Q HA -0.247 4.186 4.340 0.155 0.000 0.199 453 Q C 2.740 178.826 176.000 0.142 0.000 0.957 453 Q CA 3.142 59.018 55.803 0.121 0.000 0.857 453 Q CB -0.208 28.558 28.738 0.047 0.000 0.929 453 Q HN -0.218 7.981 8.270 0.053 0.103 0.453 454 K N 1.600 122.062 120.400 0.104 0.000 1.991 454 K HA -0.266 4.094 4.320 0.067 0.000 0.207 454 K C 2.622 179.306 176.600 0.139 0.000 1.045 454 K CA 3.253 59.588 56.287 0.079 0.000 0.937 454 K CB -0.103 32.404 32.500 0.010 0.000 0.720 454 K HN -0.085 7.994 8.250 0.072 0.214 0.438 455 Y N -1.091 119.238 120.300 0.049 0.000 2.139 455 Y HA -0.362 4.186 4.550 -0.004 0.000 0.282 455 Y C 1.526 177.445 175.900 0.033 0.000 1.179 455 Y CA 3.069 61.181 58.100 0.021 0.000 1.161 455 Y CB 0.034 38.500 38.460 0.009 0.000 0.970 455 Y HN 0.018 8.334 8.280 0.237 0.106 0.511 456 F N -2.238 117.858 119.950 0.244 0.000 2.270 456 F HA -0.066 4.554 4.527 0.155 0.000 0.295 456 F C 0.369 176.225 175.800 0.094 0.000 1.087 456 F CA 1.682 59.767 58.000 0.141 0.000 1.365 456 F CB 1.643 40.693 39.000 0.084 0.000 1.056 456 F HN -0.721 7.843 8.300 0.448 0.005 0.506 457 G N -0.664 108.331 108.800 0.326 0.000 2.953 457 G HA2 -0.315 3.731 3.960 0.129 0.000 0.203 457 G HA3 -0.315 3.760 3.960 0.192 0.000 0.203 457 G C -1.236 173.740 174.900 0.126 0.000 1.094 457 G CA -0.484 44.728 45.100 0.186 0.000 1.016 457 G HN -0.245 8.023 8.290 0.302 0.204 0.535 458 D N -0.055 120.405 120.400 0.099 0.000 2.990 458 D HA -0.351 4.320 4.640 0.051 0.000 0.245 458 D C 0.250 176.558 176.300 0.013 0.000 1.120 458 D CA 1.223 55.255 54.000 0.053 0.000 0.838 458 D CB -0.135 40.691 40.800 0.043 0.000 1.000 458 D HN 0.560 8.848 8.370 0.112 0.149 0.420 459 I N -6.130 114.435 120.570 -0.008 0.000 2.236 459 I HA -0.343 3.645 4.170 -0.302 0.000 0.249 459 I C 0.007 176.067 176.117 -0.095 0.000 1.102 459 I CA 1.817 63.028 61.300 -0.149 0.000 1.365 459 I CB 0.317 38.234 38.000 -0.140 0.000 1.051 459 I HN 0.026 8.265 8.210 0.048 0.000 0.420 460 E N -7.979 112.209 120.200 -0.020 0.000 3.890 460 E HA -0.283 4.076 4.350 0.016 0.000 0.396 460 E C -1.125 175.496 176.600 0.035 0.000 0.496 460 E CA 0.022 56.423 56.400 0.001 0.000 1.740 460 E CB -1.117 28.566 29.700 -0.029 0.000 1.945 460 E HN -0.110 8.235 8.360 0.008 0.020 0.457 461 M N 1.846 121.473 119.600 0.046 0.000 2.210 461 M HA -0.465 4.063 4.480 0.080 0.000 0.571 461 M C -0.307 176.060 176.300 0.112 0.000 1.283 461 M CA 1.432 56.794 55.300 0.103 0.000 0.639 461 M CB -0.268 32.435 32.600 0.171 0.000 1.844 461 M HN -0.152 8.077 8.290 0.018 0.072 0.562 462 T N 6.654 121.238 114.554 0.051 0.000 2.867 462 T HA -0.168 4.186 4.350 0.007 0.000 0.297 462 T C -0.526 174.130 174.700 -0.073 0.000 0.989 462 T CA 1.883 63.981 62.100 -0.003 0.000 1.159 462 T CB 0.413 69.261 68.868 -0.033 0.000 0.928 462 T HN -0.062 8.200 8.240 0.037 0.000 0.538 463 R N 7.887 128.321 120.500 -0.110 0.000 2.393 463 R HA 0.889 4.963 4.340 -0.890 -0.268 0.310 463 R C -1.643 174.448 176.300 -0.348 0.000 0.968 463 R CA -1.862 53.988 56.100 -0.418 0.000 0.867 463 R CB 1.757 31.974 30.300 -0.139 0.000 1.124 463 R HN 0.138 8.387 8.270 -0.036 0.000 0.450 464 V N 4.598 124.234 119.914 -0.463 0.000 2.876 464 V HA 0.489 4.499 4.120 -0.182 0.000 0.312 464 V C -2.185 173.769 176.094 -0.233 0.000 1.085 464 V CA -4.333 57.811 62.300 -0.260 0.000 0.945 464 V CB 2.188 33.888 31.823 -0.205 0.000 1.017 464 V HN -0.143 7.610 8.190 -0.729 0.000 0.428 465 P HA 0.089 4.469 4.420 -0.066 0.000 0.271 465 P C -1.039 176.231 177.300 -0.051 0.000 1.380 465 P CA -0.146 62.908 63.100 -0.075 0.000 0.992 465 P CB -0.492 31.180 31.700 -0.047 0.000 1.230 466 T N 1.269 115.806 114.554 -0.027 0.000 3.287 466 T HA 0.039 4.394 4.350 0.008 0.000 0.253 466 T C 0.419 175.147 174.700 0.047 0.000 0.975 466 T CA -1.906 60.212 62.100 0.031 0.000 0.912 466 T CB 0.012 68.956 68.868 0.127 0.000 1.071 466 T HN -0.262 7.958 8.240 -0.034 0.000 0.578 467 D N -0.549 119.864 120.400 0.022 0.000 2.368 467 D HA -0.126 4.520 4.640 0.009 0.000 0.250 467 D C -1.236 175.079 176.300 0.024 0.000 1.142 467 D CA 1.080 55.089 54.000 0.016 0.000 0.925 467 D CB -0.694 40.112 40.800 0.010 0.000 0.896 467 D HN 0.130 8.405 8.370 0.007 0.099 0.525 468 D N -2.134 118.292 120.400 0.044 0.000 2.921 468 D HA 0.038 4.724 4.640 0.077 0.000 0.329 468 D C -2.034 174.351 176.300 0.142 0.000 1.293 468 D CA -0.582 53.464 54.000 0.076 0.000 0.964 468 D CB 2.514 43.345 40.800 0.052 0.000 1.435 468 D HN -0.798 7.435 8.370 0.043 0.163 0.548 469 W N -1.663 119.615 121.300 -0.036 0.000 2.592 469 W HA 0.245 4.882 4.660 -0.038 0.000 0.306 469 W C -0.578 175.921 176.519 -0.034 0.000 0.991 469 W CA 1.367 58.687 57.345 -0.043 0.000 1.430 469 W CB 2.029 31.451 29.460 -0.063 0.000 1.017 469 W HN 0.339 8.662 8.180 0.237 0.000 0.557 470 D N 0.775 121.200 120.400 0.042 0.000 2.107 470 D HA -0.243 4.311 4.640 -0.143 0.000 0.204 470 D C 1.662 177.848 176.300 -0.189 0.000 0.978 470 D CA 3.059 57.011 54.000 -0.080 0.000 0.852 470 D CB -1.265 39.552 40.800 0.029 0.000 1.008 470 D HN 0.168 8.615 8.370 0.127 0.000 0.458 471 E N 0.406 120.539 120.200 -0.112 0.000 2.153 471 E HA -0.351 3.932 4.350 -0.110 0.000 0.194 471 E C 1.911 178.416 176.600 -0.159 0.000 0.988 471 E CA 3.117 59.449 56.400 -0.113 0.000 0.811 471 E CB -0.851 28.809 29.700 -0.068 0.000 0.746 471 E HN 0.379 8.704 8.360 -0.058 0.000 0.466 472 V N -0.059 119.742 119.914 -0.189 0.000 2.392 472 V HA -0.392 3.661 4.120 -0.111 0.000 0.249 472 V C 2.236 178.150 176.094 -0.299 0.000 1.059 472 V CA 3.983 66.165 62.300 -0.198 0.000 1.051 472 V CB -0.804 30.906 31.823 -0.189 0.000 0.658 472 V HN 0.023 8.095 8.190 -0.164 0.019 0.455 473 E N -0.337 119.562 120.200 -0.500 0.000 2.107 473 E HA -0.283 3.800 4.350 -0.445 0.000 0.191 473 E C 2.087 178.527 176.600 -0.267 0.000 0.982 473 E CA 3.125 59.229 56.400 -0.493 0.000 0.809 473 E CB -0.355 28.893 29.700 -0.753 0.000 0.756 473 E HN -0.473 7.425 8.360 -0.591 0.107 0.459 474 K N -0.152 120.117 120.400 -0.218 0.000 1.985 474 K HA -0.315 3.933 4.320 -0.120 0.000 0.210 474 K C 2.572 179.110 176.600 -0.104 0.000 1.047 474 K CA 3.576 59.783 56.287 -0.133 0.000 0.932 474 K CB -0.033 32.403 32.500 -0.106 0.000 0.716 474 K HN -0.583 7.430 8.250 -0.245 0.089 0.439 475 I N -0.943 119.566 120.570 -0.101 0.000 2.423 475 I HA -0.462 3.669 4.170 -0.065 0.000 0.254 475 I C 1.850 177.928 176.117 -0.065 0.000 1.151 475 I CA 3.316 64.570 61.300 -0.077 0.000 1.421 475 I CB -0.347 37.604 38.000 -0.081 0.000 1.079 475 I HN 0.257 8.398 8.210 -0.115 0.000 0.431 476 V N -0.548 119.317 119.914 -0.081 0.000 2.295 476 V HA -0.486 3.626 4.120 -0.013 0.000 0.246 476 V C 2.362 178.438 176.094 -0.031 0.000 1.049 476 V CA 3.968 66.239 62.300 -0.048 0.000 1.024 476 V CB -0.572 31.198 31.823 -0.087 0.000 0.648 476 V HN -0.290 7.693 8.190 -0.119 0.135 0.447 477 K N -1.355 119.015 120.400 -0.049 0.000 2.211 477 K HA -0.321 3.991 4.320 -0.012 0.000 0.203 477 K C 1.472 178.059 176.600 -0.022 0.000 1.050 477 K CA 3.076 59.345 56.287 -0.029 0.000 0.945 477 K CB -0.796 31.681 32.500 -0.040 0.000 0.732 477 K HN -0.357 7.846 8.250 -0.078 0.000 0.451 478 K N -0.525 119.856 120.400 -0.031 0.000 2.360 478 K HA -0.216 4.089 4.320 -0.024 0.000 0.201 478 K C 1.475 178.065 176.600 -0.016 0.000 1.046 478 K CA 2.910 59.182 56.287 -0.026 0.000 0.940 478 K CB -0.492 31.987 32.500 -0.035 0.000 0.748 478 K HN -0.458 7.635 8.250 -0.043 0.132 0.465 479 V N -2.870 117.039 119.914 -0.008 0.000 2.667 479 V HA -0.226 3.893 4.120 -0.002 0.000 0.252 479 V C 0.984 177.081 176.094 0.005 0.000 1.065 479 V CA 2.409 64.711 62.300 0.002 0.000 1.083 479 V CB 0.038 31.872 31.823 0.017 0.000 0.692 479 V HN -0.520 7.495 8.190 -0.010 0.170 0.468 480 L N -5.543 115.683 121.223 0.005 0.000 2.817 480 L HA 0.320 4.664 4.340 0.006 0.000 0.248 480 L C 1.011 177.881 176.870 0.001 0.000 1.133 480 L CA -0.210 54.634 54.840 0.006 0.000 0.935 480 L CB -0.169 41.898 42.059 0.014 0.000 1.266 480 L HN -0.184 7.911 8.230 0.003 0.137 0.535 481 K N -0.654 119.743 120.400 -0.004 0.000 2.304 481 K HA -0.295 4.020 4.320 -0.008 0.000 0.204 481 K C -0.210 176.386 176.600 -0.005 0.000 1.044 481 K CA 1.211 57.493 56.287 -0.008 0.000 0.932 481 K CB -1.120 31.371 32.500 -0.014 0.000 0.735 481 K HN 0.310 8.363 8.250 -0.006 0.194 0.468 482 D N 0.000 120.398 120.400 -0.004 0.000 6.856 482 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 482 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 482 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 482 D HN 0.000 8.306 8.370 -0.003 0.062 0.683