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 2v4m_1_A DATA FIRST_RESID 336 DATA SEQUENCE KGNFSSFMQK EIFEQPESVV NTMRGRVNFD DYTVNLGGLK DHIKEIQRCR DATA SEQUENCE RLILIACGTS YHAGVATRQV LEELTELPVM VELASDFLDR NTPVFRDDVC DATA SEQUENCE FFLSQSGETA DTLMGLRYCK ERGALTVGIT NTVGSSISRE TDCGVHINAG DATA SEQUENCE PEIGVASTKA YTSQFVSLVM FALMMCDDRI SMQERRKEIM LGLKRLPDLI DATA SEQUENCE KEVLSMDDEI QKLATELYHQ KSVLIMGRGY HYATCLEGAL KIKEITYMHS DATA SEQUENCE EGILAGELKH GPLALVDKLM PVIMIIMRDH TYAKCQNALQ QVVARQGRPV DATA SEQUENCE VICDKEDTET IKNTKRTIKV PHSVDCLQGI LSVIPLQLLA FHLAVLRGYD DATA SEQUENCE VD 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 336 K HA 0.000 nan 4.320 nan 0.000 0.191 336 K C 0.000 176.600 176.600 -0.000 0.000 0.988 336 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 336 K CB 0.000 32.373 32.500 -0.212 0.000 1.064 337 G N 3.179 111.997 108.800 0.031 0.000 2.524 337 G HA2 -0.266 3.694 3.960 0.001 0.000 0.215 337 G HA3 -0.266 3.694 3.960 0.001 0.000 0.215 337 G C 0.990 175.823 174.900 -0.112 0.000 1.239 337 G CA 1.296 46.373 45.100 -0.038 0.000 0.798 337 G HN 0.777 nan 8.290 nan 0.000 0.557 338 N N -0.328 118.229 118.700 -0.238 0.000 2.368 338 N HA 0.082 4.823 4.740 0.001 0.000 0.178 338 N C 0.108 175.402 175.510 -0.359 0.000 1.076 338 N CA -0.222 52.621 53.050 -0.345 0.000 0.889 338 N CB -0.085 38.114 38.487 -0.479 0.000 1.040 338 N HN 0.246 nan 8.380 nan 0.000 0.463 339 F N 2.486 122.345 119.950 -0.152 0.000 2.459 339 F HA 0.143 4.671 4.527 0.001 0.000 0.346 339 F C 2.127 177.836 175.800 -0.152 0.000 1.128 339 F CA -0.432 57.469 58.000 -0.165 0.000 1.268 339 F CB 0.981 39.862 39.000 -0.199 0.000 1.161 339 F HN 0.008 nan 8.300 nan 0.000 0.583 340 S N -0.696 115.068 115.700 0.107 0.000 2.406 340 S HA 0.048 4.519 4.470 0.001 0.000 0.224 340 S C 0.681 175.281 174.600 0.001 0.000 1.030 340 S CA 0.135 58.358 58.200 0.038 0.000 0.958 340 S CB -0.173 63.075 63.200 0.080 0.000 0.811 340 S HN 0.393 nan 8.310 nan 0.000 0.489 341 S N 1.017 116.758 115.700 0.067 0.000 2.489 341 S HA 0.596 5.066 4.470 0.001 0.000 0.291 341 S C 0.090 174.635 174.600 -0.093 0.000 1.151 341 S CA -0.697 57.532 58.200 0.047 0.000 1.082 341 S CB 0.816 64.162 63.200 0.243 0.000 1.019 341 S HN 0.282 nan 8.310 nan 0.000 0.492 342 F N 1.796 121.755 119.950 0.015 0.000 2.134 342 F HA -0.105 4.423 4.527 0.001 0.000 0.299 342 F C 2.376 178.118 175.800 -0.097 0.000 1.097 342 F CA 1.257 59.237 58.000 -0.033 0.000 1.264 342 F CB -0.338 38.662 39.000 -0.001 0.000 1.001 342 F HN 0.590 nan 8.300 nan 0.000 0.479 343 M N -0.101 119.573 119.600 0.122 0.000 2.080 343 M HA -0.311 4.170 4.480 0.001 0.000 0.260 343 M C 2.375 178.568 176.300 -0.179 0.000 1.068 343 M CA 1.908 57.214 55.300 0.009 0.000 1.109 343 M CB -0.383 32.261 32.600 0.072 0.000 1.342 343 M HN 0.261 nan 8.290 nan 0.000 0.405 344 Q N 0.330 119.916 119.800 -0.357 0.000 2.050 344 Q HA -0.255 4.086 4.340 0.001 0.000 0.202 344 Q C 2.094 177.646 176.000 -0.746 0.000 0.980 344 Q CA 2.015 57.415 55.803 -0.672 0.000 0.840 344 Q CB -0.187 27.989 28.738 -0.937 0.000 0.898 344 Q HN 0.521 nan 8.270 nan 0.000 0.424 345 K N 0.379 120.231 120.400 -0.914 0.000 2.032 345 K HA -0.232 4.089 4.320 0.001 0.000 0.209 345 K C 1.668 178.012 176.600 -0.425 0.000 1.048 345 K CA 1.927 57.566 56.287 -1.080 0.000 0.927 345 K CB -0.031 32.198 32.500 -0.452 0.000 0.712 345 K HN 0.289 nan 8.250 nan 0.000 0.441 346 E N 0.368 120.440 120.200 -0.212 0.000 2.107 346 E HA -0.124 4.226 4.350 0.001 0.000 0.191 346 E C 2.098 178.643 176.600 -0.092 0.000 0.982 346 E CA 1.058 57.406 56.400 -0.086 0.000 0.809 346 E CB -0.049 29.638 29.700 -0.021 0.000 0.756 346 E HN 0.350 nan 8.360 nan 0.000 0.459 347 I N 0.228 120.716 120.570 -0.137 0.000 2.142 347 I HA -0.267 3.903 4.170 0.001 0.000 0.240 347 I C 1.805 177.806 176.117 -0.194 0.000 1.078 347 I CA 1.270 62.472 61.300 -0.163 0.000 1.343 347 I CB -0.185 37.684 38.000 -0.219 0.000 1.046 347 I HN 0.064 nan 8.210 nan 0.000 0.405 348 F N 0.590 120.388 119.950 -0.254 0.000 2.604 348 F HA -0.122 4.405 4.527 0.001 0.000 0.298 348 F C 2.380 178.132 175.800 -0.079 0.000 1.131 348 F CA 0.909 58.821 58.000 -0.147 0.000 1.457 348 F CB -0.244 38.675 39.000 -0.134 0.000 1.095 348 F HN 0.102 nan 8.300 nan 0.000 0.574 349 E N -0.033 120.188 120.200 0.035 0.000 2.427 349 E HA -0.170 4.181 4.350 0.001 0.000 0.196 349 E C 1.856 178.462 176.600 0.010 0.000 1.028 349 E CA 0.298 56.718 56.400 0.034 0.000 0.864 349 E CB 0.040 29.749 29.700 0.015 0.000 0.813 349 E HN 0.525 nan 8.360 nan 0.000 0.514 350 Q N -0.204 119.580 119.800 -0.028 0.000 2.226 350 Q HA -0.112 4.229 4.340 0.001 0.000 0.204 350 Q C -0.955 175.025 176.000 -0.033 0.000 0.975 350 Q CA 1.050 56.830 55.803 -0.039 0.000 0.866 350 Q CB -0.428 28.267 28.738 -0.071 0.000 0.915 350 Q HN 0.335 nan 8.270 nan 0.000 0.440 351 P HA -0.125 nan 4.420 nan 0.000 0.220 351 P C 0.471 177.770 177.300 -0.002 0.000 1.148 351 P CA 1.193 64.282 63.100 -0.018 0.000 0.803 351 P CB 0.205 31.902 31.700 -0.006 0.000 0.782 352 E N -0.909 119.299 120.200 0.013 0.000 2.140 352 E HA -0.062 4.289 4.350 0.001 0.000 0.191 352 E C 2.119 178.731 176.600 0.021 0.000 0.973 352 E CA 1.098 57.511 56.400 0.021 0.000 0.829 352 E CB -0.790 28.930 29.700 0.033 0.000 0.781 352 E HN 0.212 nan 8.360 nan 0.000 0.466 353 S N -0.173 115.537 115.700 0.017 0.000 2.402 353 S HA -0.094 4.377 4.470 0.001 0.000 0.229 353 S C 2.107 176.719 174.600 0.019 0.000 1.021 353 S CA 0.839 59.050 58.200 0.019 0.000 0.974 353 S CB -0.458 62.752 63.200 0.016 0.000 0.800 353 S HN 0.055 nan 8.310 nan 0.000 0.484 354 V N 1.624 121.543 119.914 0.009 0.000 2.427 354 V HA -0.104 4.017 4.120 0.001 0.000 0.248 354 V C 2.644 178.760 176.094 0.037 0.000 1.051 354 V CA 1.488 63.795 62.300 0.011 0.000 1.048 354 V CB -0.587 31.227 31.823 -0.016 0.000 0.666 354 V HN 0.461 nan 8.190 nan 0.000 0.456 355 V N 0.628 120.563 119.914 0.035 0.000 2.295 355 V HA -0.243 3.877 4.120 0.001 0.000 0.246 355 V C 2.322 178.451 176.094 0.059 0.000 1.049 355 V CA 2.154 64.487 62.300 0.056 0.000 1.024 355 V CB -0.874 30.971 31.823 0.038 0.000 0.648 355 V HN 0.568 nan 8.190 nan 0.000 0.447 356 N N 0.148 118.875 118.700 0.044 0.000 2.149 356 N HA -0.149 4.591 4.740 0.001 0.000 0.188 356 N C 1.892 177.430 175.510 0.046 0.000 1.019 356 N CA 1.955 55.030 53.050 0.042 0.000 0.857 356 N CB -0.693 37.815 38.487 0.035 0.000 0.997 356 N HN 0.459 nan 8.380 nan 0.000 0.426 357 T N 1.051 115.634 114.554 0.048 0.000 2.788 357 T HA -0.001 4.349 4.350 0.001 0.000 0.268 357 T C 1.801 176.533 174.700 0.054 0.000 1.044 357 T CA 0.965 63.097 62.100 0.053 0.000 1.139 357 T CB -0.058 68.840 68.868 0.050 0.000 0.867 357 T HN 0.258 nan 8.240 nan 0.000 0.454 358 M N 0.159 119.796 119.600 0.061 0.000 2.556 358 M HA 0.153 4.634 4.480 0.001 0.000 0.245 358 M C 0.975 177.293 176.300 0.030 0.000 1.128 358 M CA 0.040 55.371 55.300 0.052 0.000 1.069 358 M CB 0.129 32.796 32.600 0.112 0.000 1.469 358 M HN -0.039 nan 8.290 nan 0.000 0.494 359 R N 1.396 121.921 120.500 0.043 0.000 2.458 359 R HA 0.123 4.464 4.340 0.001 0.000 0.303 359 R C 0.783 177.091 176.300 0.013 0.000 1.013 359 R CA 1.049 57.168 56.100 0.032 0.000 1.026 359 R CB 0.017 30.339 30.300 0.037 0.000 0.948 359 R HN 0.517 nan 8.270 nan 0.000 0.417 360 G N 3.668 112.465 108.800 -0.006 0.000 2.148 360 G HA2 -0.321 3.640 3.960 0.001 0.000 0.254 360 G HA3 -0.321 3.640 3.960 0.001 0.000 0.254 360 G C 0.609 175.493 174.900 -0.026 0.000 0.981 360 G CA 0.646 45.738 45.100 -0.013 0.000 0.670 360 G HN 0.704 nan 8.290 nan 0.000 0.528 361 R N -1.605 118.866 120.500 -0.048 0.000 2.493 361 R HA 0.362 4.703 4.340 0.001 0.000 0.177 361 R C 0.599 176.824 176.300 -0.126 0.000 0.861 361 R CA 0.658 56.725 56.100 -0.055 0.000 1.083 361 R CB 0.625 30.914 30.300 -0.018 0.000 1.328 361 R HN 0.274 nan 8.270 nan 0.000 0.615 362 V N 2.792 122.578 119.914 -0.213 0.000 2.383 362 V HA 0.248 4.369 4.120 0.001 0.000 0.275 362 V C -0.631 175.105 176.094 -0.596 0.000 1.036 362 V CA -0.899 61.135 62.300 -0.444 0.000 0.889 362 V CB 1.249 32.694 31.823 -0.629 0.000 0.985 362 V HN 0.187 nan 8.190 nan 0.000 0.459 363 N N 3.536 121.934 118.700 -0.504 0.000 2.457 363 N HA 0.351 5.091 4.740 0.001 0.000 0.250 363 N C -0.089 175.084 175.510 -0.563 0.000 0.982 363 N CA -0.468 52.340 53.050 -0.402 0.000 0.941 363 N CB 0.895 39.259 38.487 -0.205 0.000 1.120 363 N HN 0.481 nan 8.380 nan 0.000 0.505 364 F N 0.725 120.479 119.950 -0.327 0.000 2.732 364 F HA 0.214 4.742 4.527 0.001 0.000 0.303 364 F C 1.476 176.876 175.800 -0.667 0.000 1.110 364 F CA -0.171 57.440 58.000 -0.649 0.000 1.355 364 F CB 0.454 39.218 39.000 -0.393 0.000 1.081 364 F HN 0.394 nan 8.300 nan 0.000 0.565 365 D N -0.215 120.060 120.400 -0.209 0.000 2.277 365 D HA -0.054 4.587 4.640 0.001 0.000 0.209 365 D C 1.331 177.645 176.300 0.023 0.000 0.970 365 D CA 1.133 55.098 54.000 -0.060 0.000 0.874 365 D CB 0.074 40.868 40.800 -0.011 0.000 0.982 365 D HN 0.374 nan 8.370 nan 0.000 0.504 366 D N -1.769 118.624 120.400 -0.011 0.000 2.500 366 D HA -0.068 4.572 4.640 0.001 0.000 0.217 366 D C -0.285 176.145 176.300 0.216 0.000 1.159 366 D CA -0.553 53.524 54.000 0.129 0.000 0.828 366 D CB -0.569 40.267 40.800 0.060 0.000 1.039 366 D HN -0.031 nan 8.370 nan 0.000 0.512 367 Y N 0.598 120.891 120.300 -0.012 0.000 3.125 367 Y HA -0.233 4.318 4.550 0.001 0.000 0.200 367 Y C 0.209 176.073 175.900 -0.060 0.000 1.373 367 Y CA 0.786 58.869 58.100 -0.028 0.000 1.180 367 Y CB -2.546 35.929 38.460 0.024 0.000 1.381 367 Y HN 0.278 nan 8.280 nan 0.000 0.501 368 T N -3.037 111.494 114.554 -0.039 0.000 2.942 368 T HA 0.917 5.267 4.350 0.001 0.000 0.289 368 T C -0.344 174.290 174.700 -0.110 0.000 1.044 368 T CA -0.875 61.197 62.100 -0.047 0.000 1.023 368 T CB 2.732 71.577 68.868 -0.039 0.000 1.123 368 T HN 0.092 nan 8.240 nan 0.000 0.512 369 V N 1.893 121.760 119.914 -0.079 0.000 2.577 369 V HA 0.700 4.821 4.120 0.001 0.000 0.303 369 V C -0.781 175.280 176.094 -0.054 0.000 1.042 369 V CA -0.835 61.414 62.300 -0.086 0.000 0.872 369 V CB 1.514 33.295 31.823 -0.070 0.000 0.998 369 V HN 1.080 nan 8.190 nan 0.000 0.423 370 N N 3.711 122.384 118.700 -0.045 0.000 2.397 370 N HA 0.568 5.309 4.740 0.001 0.000 0.291 370 N C -1.479 174.035 175.510 0.007 0.000 1.065 370 N CA -0.503 52.537 53.050 -0.016 0.000 0.884 370 N CB 1.730 40.207 38.487 -0.017 0.000 1.551 370 N HN 0.639 nan 8.380 nan 0.000 0.487 371 L N 3.312 124.557 121.223 0.037 0.000 2.321 371 L HA 0.434 4.775 4.340 0.001 0.000 0.272 371 L C 1.648 178.555 176.870 0.061 0.000 1.050 371 L CA -0.636 54.242 54.840 0.062 0.000 0.893 371 L CB 1.192 43.319 42.059 0.113 0.000 1.272 371 L HN 0.868 nan 8.230 nan 0.000 0.435 372 G N 1.697 110.524 108.800 0.045 0.000 2.462 372 G HA2 -0.208 3.753 3.960 0.001 0.000 0.220 372 G HA3 -0.208 3.753 3.960 0.001 0.000 0.220 372 G C 1.415 176.345 174.900 0.051 0.000 1.121 372 G CA 0.798 45.923 45.100 0.041 0.000 0.758 372 G HN 0.753 nan 8.290 nan 0.000 0.559 373 G N 0.324 109.156 108.800 0.054 0.000 2.535 373 G HA2 -0.001 3.960 3.960 0.001 0.000 0.218 373 G HA3 -0.001 3.960 3.960 0.001 0.000 0.218 373 G C 1.467 176.404 174.900 0.061 0.000 1.122 373 G CA 0.381 45.509 45.100 0.047 0.000 0.769 373 G HN 0.466 nan 8.290 nan 0.000 0.549 374 L N -0.137 121.136 121.223 0.084 0.000 2.638 374 L HA 0.172 4.513 4.340 0.001 0.000 0.232 374 L C 2.535 179.480 176.870 0.126 0.000 1.099 374 L CA 0.508 55.420 54.840 0.119 0.000 0.883 374 L CB 0.108 42.261 42.059 0.157 0.000 1.136 374 L HN 0.290 nan 8.230 nan 0.000 0.492 375 K N -0.303 120.147 120.400 0.083 0.000 2.280 375 K HA -0.157 4.164 4.320 0.001 0.000 0.202 375 K C 0.844 177.459 176.600 0.025 0.000 1.047 375 K CA 1.543 57.861 56.287 0.052 0.000 0.942 375 K CB -0.060 32.459 32.500 0.031 0.000 0.739 375 K HN 0.064 nan 8.250 nan 0.000 0.457 376 D N 0.105 120.517 120.400 0.020 0.000 2.363 376 D HA -0.037 4.603 4.640 0.001 0.000 0.220 376 D C 0.488 176.608 176.300 -0.300 0.000 0.994 376 D CA 0.868 54.800 54.000 -0.113 0.000 0.890 376 D CB 0.194 40.919 40.800 -0.125 0.000 0.906 376 D HN 0.524 nan 8.370 nan 0.000 0.530 377 H N -1.658 117.422 119.070 0.016 0.000 3.398 377 H HA 0.240 4.797 4.556 0.001 0.000 0.260 377 H C 1.335 176.686 175.328 0.037 0.000 1.189 377 H CA -0.296 55.763 56.048 0.019 0.000 1.145 377 H CB 0.744 30.509 29.762 0.006 0.000 1.599 377 H HN -0.086 nan 8.280 nan 0.000 0.615 378 I N 1.110 121.761 120.570 0.135 0.000 2.361 378 I HA -0.222 3.949 4.170 0.001 0.000 0.251 378 I C 1.803 177.967 176.117 0.079 0.000 1.133 378 I CA 1.539 62.909 61.300 0.115 0.000 1.413 378 I CB 0.008 38.055 38.000 0.079 0.000 1.073 378 I HN 0.050 nan 8.210 nan 0.000 0.424 379 K N 0.068 120.499 120.400 0.051 0.000 2.025 379 K HA -0.196 4.124 4.320 0.001 0.000 0.207 379 K C 2.131 178.760 176.600 0.048 0.000 1.049 379 K CA 1.631 57.938 56.287 0.034 0.000 0.933 379 K CB -0.335 32.173 32.500 0.013 0.000 0.714 379 K HN 0.455 nan 8.250 nan 0.000 0.438 380 E N 0.718 120.956 120.200 0.064 0.000 2.051 380 E HA -0.118 4.233 4.350 0.001 0.000 0.192 380 E C 2.130 178.786 176.600 0.095 0.000 0.991 380 E CA 0.817 57.263 56.400 0.077 0.000 0.799 380 E CB -0.041 29.719 29.700 0.100 0.000 0.748 380 E HN 0.187 nan 8.360 nan 0.000 0.449 381 I N 0.841 121.486 120.570 0.124 0.000 2.163 381 I HA -0.342 3.829 4.170 0.001 0.000 0.243 381 I C 2.437 178.640 176.117 0.143 0.000 1.085 381 I CA 1.339 62.734 61.300 0.157 0.000 1.347 381 I CB -0.235 37.903 38.000 0.231 0.000 1.044 381 I HN 0.170 nan 8.210 nan 0.000 0.408 382 Q N 0.171 120.029 119.800 0.097 0.000 2.234 382 Q HA -0.170 4.171 4.340 0.001 0.000 0.206 382 Q C 1.911 177.940 176.000 0.048 0.000 0.980 382 Q CA 1.174 57.008 55.803 0.051 0.000 0.869 382 Q CB -0.028 28.720 28.738 0.017 0.000 0.912 382 Q HN 0.466 nan 8.270 nan 0.000 0.436 383 R N -1.076 119.456 120.500 0.054 0.000 2.334 383 R HA 0.160 4.501 4.340 0.001 0.000 0.216 383 R C 0.159 176.491 176.300 0.054 0.000 0.905 383 R CA -0.370 55.757 56.100 0.044 0.000 1.064 383 R CB 0.373 30.695 30.300 0.037 0.000 1.046 383 R HN 0.134 nan 8.270 nan 0.000 0.508 384 C N 0.624 119.970 119.300 0.076 0.000 2.500 384 C HA 0.270 4.730 4.460 0.001 0.000 0.367 384 C C 1.623 176.658 174.990 0.075 0.000 1.283 384 C CA -0.562 58.504 59.018 0.081 0.000 2.456 384 C CB 0.962 28.764 27.740 0.103 0.000 2.457 384 C HN 0.402 nan 8.230 nan 0.000 0.632 385 R N 0.724 121.264 120.500 0.067 0.000 2.397 385 R HA 0.241 4.581 4.340 0.001 0.000 0.241 385 R C 0.308 176.642 176.300 0.057 0.000 0.914 385 R CA 0.142 56.271 56.100 0.047 0.000 1.071 385 R CB -0.105 30.207 30.300 0.019 0.000 1.116 385 R HN 0.742 nan 8.270 nan 0.000 0.524 386 R N 0.046 120.597 120.500 0.086 0.000 2.579 386 R HA 0.304 4.645 4.340 0.001 0.000 0.260 386 R C -1.585 174.789 176.300 0.123 0.000 1.103 386 R CA -0.473 55.683 56.100 0.093 0.000 0.942 386 R CB 0.976 31.331 30.300 0.092 0.000 1.251 386 R HN -0.056 nan 8.270 nan 0.000 0.450 387 L N 5.376 126.669 121.223 0.116 0.000 2.309 387 L HA 0.568 4.908 4.340 0.001 0.000 0.282 387 L C -0.213 176.700 176.870 0.070 0.000 1.036 387 L CA -0.889 54.033 54.840 0.137 0.000 0.806 387 L CB 1.596 43.712 42.059 0.095 0.000 1.220 387 L HN 0.498 nan 8.230 nan 0.000 0.429 388 I N 4.393 125.002 120.570 0.065 0.000 2.418 388 I HA 0.370 4.541 4.170 0.001 0.000 0.287 388 I C -0.522 175.523 176.117 -0.120 0.000 1.008 388 I CA -0.465 60.821 61.300 -0.023 0.000 1.104 388 I CB 1.899 39.889 38.000 -0.017 0.000 1.264 388 I HN 0.383 nan 8.210 nan 0.000 0.438 389 L N 7.182 128.309 121.223 -0.160 0.000 2.282 389 L HA 0.607 4.947 4.340 0.001 0.000 0.288 389 L C -0.472 176.244 176.870 -0.255 0.000 1.033 389 L CA -0.510 54.197 54.840 -0.221 0.000 0.807 389 L CB 1.335 43.262 42.059 -0.220 0.000 1.209 389 L HN 0.469 nan 8.230 nan 0.000 0.423 390 I N 2.974 123.311 120.570 -0.388 0.000 2.436 390 I HA 0.828 4.998 4.170 0.001 0.000 0.289 390 I C -0.120 175.922 176.117 -0.126 0.000 1.010 390 I CA -0.335 60.753 61.300 -0.353 0.000 1.098 390 I CB 1.958 39.551 38.000 -0.678 0.000 1.266 390 I HN 0.787 nan 8.210 nan 0.000 0.434 391 A N 4.546 127.369 122.820 0.006 0.000 2.515 391 A HA 0.728 5.048 4.320 0.001 0.000 0.292 391 A C -1.778 175.849 177.584 0.072 0.000 1.065 391 A CA -0.501 51.576 52.037 0.066 0.000 0.641 391 A CB 1.238 20.283 19.000 0.074 0.000 1.306 391 A HN 0.652 nan 8.150 nan 0.000 0.441 392 C N 0.031 119.359 119.300 0.046 0.000 2.493 392 C HA 0.886 5.347 4.460 0.001 0.000 0.326 392 C C 1.440 176.415 174.990 -0.026 0.000 1.200 392 C CA 0.662 59.674 59.018 -0.010 0.000 1.739 392 C CB 0.519 28.250 27.740 -0.014 0.000 2.300 392 C HN 2.606 nan 8.230 nan 0.000 0.500 393 G N 2.644 111.378 108.800 -0.110 0.000 2.611 393 G HA2 -0.311 3.650 3.960 0.001 0.000 0.301 393 G HA3 -0.311 3.650 3.960 0.001 0.000 0.301 393 G C 0.936 175.634 174.900 -0.337 0.000 1.233 393 G CA 0.845 45.828 45.100 -0.195 0.000 0.993 393 G HN 0.745 nan 8.290 nan 0.000 0.553 394 T N 0.900 115.327 114.554 -0.212 0.000 2.962 394 T HA 0.038 4.389 4.350 0.001 0.000 0.270 394 T C 2.734 177.503 174.700 0.116 0.000 1.088 394 T CA 2.021 64.065 62.100 -0.095 0.000 1.127 394 T CB -0.301 68.574 68.868 0.012 0.000 0.883 394 T HN 0.463 nan 8.240 nan 0.000 0.493 395 S N 0.303 116.051 115.700 0.080 0.000 2.371 395 S HA -0.056 4.415 4.470 0.001 0.000 0.224 395 S C 1.655 176.312 174.600 0.094 0.000 1.029 395 S CA 0.665 58.930 58.200 0.108 0.000 0.978 395 S CB -0.406 62.838 63.200 0.075 0.000 0.833 395 S HN 0.672 nan 8.310 nan 0.000 0.466 396 Y N 2.132 122.400 120.300 -0.053 0.000 2.165 396 Y HA -0.267 4.284 4.550 0.001 0.000 0.286 396 Y C 2.076 178.011 175.900 0.057 0.000 1.155 396 Y CA 1.969 60.042 58.100 -0.046 0.000 1.164 396 Y CB -0.700 37.704 38.460 -0.094 0.000 0.978 396 Y HN 0.449 nan 8.280 nan 0.000 0.513 397 H N -0.866 118.227 119.070 0.039 0.000 2.387 397 H HA -0.117 4.440 4.556 0.001 0.000 0.299 397 H C 2.321 177.711 175.328 0.104 0.000 1.090 397 H CA 0.495 56.544 56.048 0.002 0.000 1.332 397 H CB -0.091 29.720 29.762 0.082 0.000 1.386 397 H HN 0.506 nan 8.280 nan 0.000 0.516 398 A N 0.838 123.843 122.820 0.307 0.000 1.933 398 A HA -0.131 4.190 4.320 0.001 0.000 0.218 398 A C 2.654 180.128 177.584 -0.184 0.000 1.175 398 A CA 1.461 53.507 52.037 0.016 0.000 0.628 398 A CB -1.120 17.862 19.000 -0.031 0.000 0.814 398 A HN 0.513 nan 8.150 nan 0.000 0.444 399 G N -0.500 108.182 108.800 -0.197 0.000 2.421 399 G HA2 -0.126 3.835 3.960 0.001 0.000 0.216 399 G HA3 -0.126 3.835 3.960 0.001 0.000 0.216 399 G C 1.505 176.222 174.900 -0.306 0.000 1.171 399 G CA 1.256 46.185 45.100 -0.285 0.000 0.775 399 G HN 0.324 nan 8.290 nan 0.000 0.543 400 V N 1.611 121.317 119.914 -0.348 0.000 2.343 400 V HA -0.120 4.001 4.120 0.001 0.000 0.247 400 V C 3.283 179.279 176.094 -0.163 0.000 1.051 400 V CA 1.892 64.038 62.300 -0.257 0.000 1.036 400 V CB -0.810 30.848 31.823 -0.275 0.000 0.654 400 V HN 0.462 nan 8.190 nan 0.000 0.451 401 A N 0.288 123.010 122.820 -0.162 0.000 2.125 401 A HA -0.138 4.183 4.320 0.001 0.000 0.219 401 A C 2.136 179.447 177.584 -0.454 0.000 1.156 401 A CA 2.067 53.980 52.037 -0.207 0.000 0.671 401 A CB -0.521 18.392 19.000 -0.146 0.000 0.794 401 A HN 0.666 nan 8.150 nan 0.000 0.459 402 T N -4.930 109.371 114.554 -0.422 0.000 3.058 402 T HA 0.216 4.567 4.350 0.001 0.000 0.278 402 T C 1.447 176.015 174.700 -0.220 0.000 0.974 402 T CA 0.254 62.114 62.100 -0.399 0.000 0.893 402 T CB -0.083 68.492 68.868 -0.488 0.000 1.138 402 T HN 0.392 nan 8.240 nan 0.000 0.529 403 R N 1.312 121.702 120.500 -0.184 0.000 2.091 403 R HA -0.146 4.195 4.340 0.001 0.000 0.238 403 R C 2.432 178.676 176.300 -0.093 0.000 1.136 403 R CA 1.902 57.920 56.100 -0.136 0.000 0.959 403 R CB -0.213 30.019 30.300 -0.113 0.000 0.856 403 R HN 0.583 nan 8.270 nan 0.000 0.437 404 Q N -0.219 119.531 119.800 -0.083 0.000 2.049 404 Q HA -0.106 4.235 4.340 0.001 0.000 0.198 404 Q C 2.003 178.003 176.000 0.000 0.000 0.971 404 Q CA 1.525 57.283 55.803 -0.076 0.000 0.833 404 Q CB 0.017 28.619 28.738 -0.226 0.000 0.896 404 Q HN 0.291 nan 8.270 nan 0.000 0.434 405 V N 0.529 120.481 119.914 0.063 0.000 2.667 405 V HA -0.175 3.945 4.120 0.001 0.000 0.252 405 V C 2.013 178.108 176.094 0.003 0.000 1.065 405 V CA 1.149 63.488 62.300 0.065 0.000 1.083 405 V CB -0.200 31.668 31.823 0.076 0.000 0.692 405 V HN 0.391 nan 8.190 nan 0.000 0.468 406 L N -0.318 120.886 121.223 -0.030 0.000 2.056 406 L HA -0.162 4.179 4.340 0.001 0.000 0.207 406 L C 2.543 179.403 176.870 -0.016 0.000 1.078 406 L CA 2.051 56.875 54.840 -0.027 0.000 0.749 406 L CB -0.531 41.487 42.059 -0.068 0.000 0.901 406 L HN 0.353 nan 8.230 nan 0.000 0.433 407 E N -0.332 119.853 120.200 -0.025 0.000 2.077 407 E HA -0.278 4.073 4.350 0.001 0.000 0.193 407 E C 2.064 178.655 176.600 -0.015 0.000 0.989 407 E CA 1.357 57.745 56.400 -0.019 0.000 0.800 407 E CB -0.061 29.622 29.700 -0.029 0.000 0.746 407 E HN 0.437 nan 8.360 nan 0.000 0.452 408 E N 0.833 121.026 120.200 -0.012 0.000 2.017 408 E HA -0.187 4.164 4.350 0.001 0.000 0.193 408 E C 2.142 178.736 176.600 -0.010 0.000 0.997 408 E CA 0.883 57.278 56.400 -0.008 0.000 0.804 408 E CB 0.013 29.719 29.700 0.011 0.000 0.757 408 E HN 0.211 nan 8.360 nan 0.000 0.448 409 L N 0.430 121.646 121.223 -0.012 0.000 2.156 409 L HA -0.083 4.257 4.340 0.001 0.000 0.208 409 L C 2.815 179.662 176.870 -0.039 0.000 1.095 409 L CA 1.526 56.350 54.840 -0.027 0.000 0.770 409 L CB -0.409 41.629 42.059 -0.035 0.000 0.914 409 L HN 0.342 nan 8.230 nan 0.000 0.439 410 T N -4.323 110.213 114.554 -0.029 0.000 3.054 410 T HA -0.009 4.342 4.350 0.001 0.000 0.259 410 T C 0.834 175.530 174.700 -0.007 0.000 1.092 410 T CA 0.236 62.323 62.100 -0.021 0.000 1.121 410 T CB 0.006 68.882 68.868 0.014 0.000 0.912 410 T HN 0.388 nan 8.240 nan 0.000 0.489 411 E N 0.704 120.900 120.200 -0.007 0.000 2.883 411 E HA -0.151 4.199 4.350 0.001 0.000 0.271 411 E C -0.559 176.043 176.600 0.004 0.000 1.049 411 E CA 0.234 56.631 56.400 -0.005 0.000 0.817 411 E CB -2.001 27.694 29.700 -0.008 0.000 1.407 411 E HN 0.602 nan 8.360 nan 0.000 0.434 412 L N 0.057 121.288 121.223 0.013 0.000 2.334 412 L HA 0.491 4.832 4.340 0.001 0.000 0.272 412 L C -2.107 174.775 176.870 0.020 0.000 1.020 412 L CA -2.483 52.372 54.840 0.025 0.000 0.812 412 L CB 0.842 42.932 42.059 0.050 0.000 1.264 412 L HN -0.257 nan 8.230 nan 0.000 0.439 413 P HA 0.027 nan 4.420 nan 0.000 0.264 413 P C -1.028 176.286 177.300 0.023 0.000 1.193 413 P CA 0.004 63.116 63.100 0.020 0.000 0.763 413 P CB 0.520 32.236 31.700 0.027 0.000 0.810 414 V N 5.245 125.163 119.914 0.006 0.000 2.350 414 V HA 0.365 4.486 4.120 0.001 0.000 0.285 414 V C 0.115 176.205 176.094 -0.007 0.000 1.014 414 V CA -0.405 61.888 62.300 -0.011 0.000 0.831 414 V CB 1.294 33.088 31.823 -0.048 0.000 1.000 414 V HN 0.571 nan 8.190 nan 0.000 0.433 415 M N 5.276 124.882 119.600 0.009 0.000 2.264 415 M HA 0.633 5.114 4.480 0.001 0.000 0.352 415 M C -1.208 175.092 176.300 -0.001 0.000 1.173 415 M CA -0.379 54.938 55.300 0.029 0.000 1.075 415 M CB 1.577 34.220 32.600 0.072 0.000 1.621 415 M HN 0.449 nan 8.290 nan 0.000 0.457 416 V N 4.709 124.636 119.914 0.021 0.000 2.444 416 V HA 0.486 4.606 4.120 0.001 0.000 0.294 416 V C -0.625 175.577 176.094 0.180 0.000 1.022 416 V CA -0.723 61.583 62.300 0.010 0.000 0.850 416 V CB 1.688 33.448 31.823 -0.105 0.000 0.992 416 V HN 0.730 nan 8.190 nan 0.000 0.426 417 E N 4.177 124.483 120.200 0.177 0.000 2.234 417 E HA 0.488 4.838 4.350 0.001 0.000 0.266 417 E C -0.982 175.725 176.600 0.177 0.000 0.877 417 E CA -0.734 55.780 56.400 0.190 0.000 0.758 417 E CB 2.889 32.645 29.700 0.093 0.000 1.170 417 E HN 0.512 nan 8.360 nan 0.000 0.415 418 L N 2.137 123.351 121.223 -0.015 0.000 2.410 418 L HA 0.092 4.433 4.340 0.001 0.000 0.273 418 L C 1.538 178.392 176.870 -0.027 0.000 1.144 418 L CA 0.020 54.731 54.840 -0.215 0.000 0.863 418 L CB 0.752 42.552 42.059 -0.431 0.000 1.140 418 L HN 0.710 nan 8.230 nan 0.000 0.463 419 A N 2.377 125.192 122.820 -0.009 0.000 1.902 419 A HA -0.173 4.148 4.320 0.001 0.000 0.217 419 A C 2.336 179.979 177.584 0.099 0.000 1.181 419 A CA 1.797 53.870 52.037 0.060 0.000 0.623 419 A CB -0.555 18.474 19.000 0.049 0.000 0.818 419 A HN 0.867 nan 8.150 nan 0.000 0.443 420 S N 0.322 116.038 115.700 0.028 0.000 2.353 420 S HA -0.252 4.218 4.470 0.001 0.000 0.222 420 S C 1.686 176.293 174.600 0.011 0.000 1.035 420 S CA 1.719 59.926 58.200 0.012 0.000 1.025 420 S CB -0.723 62.465 63.200 -0.019 0.000 0.902 420 S HN 0.553 nan 8.310 nan 0.000 0.440 421 D N 0.531 120.935 120.400 0.007 0.000 2.178 421 D HA -0.071 4.570 4.640 0.001 0.000 0.202 421 D C 1.573 177.885 176.300 0.020 0.000 0.974 421 D CA 0.745 54.745 54.000 0.000 0.000 0.841 421 D CB -0.431 40.364 40.800 -0.008 0.000 0.953 421 D HN 0.404 nan 8.370 nan 0.000 0.478 422 F N 0.672 120.574 119.950 -0.079 0.000 2.095 422 F HA -0.114 4.413 4.527 0.001 0.000 0.298 422 F C 1.852 177.538 175.800 -0.191 0.000 1.104 422 F CA 1.351 59.290 58.000 -0.101 0.000 1.232 422 F CB -0.232 38.729 39.000 -0.065 0.000 0.987 422 F HN -0.016 nan 8.300 nan 0.000 0.475 423 L N -0.191 120.958 121.223 -0.124 0.000 2.093 423 L HA -0.187 4.154 4.340 0.001 0.000 0.208 423 L C 2.095 178.807 176.870 -0.264 0.000 1.085 423 L CA 1.235 55.905 54.840 -0.283 0.000 0.755 423 L CB -0.875 41.130 42.059 -0.089 0.000 0.904 423 L HN 0.034 nan 8.230 nan 0.000 0.435 424 D N 0.299 120.606 120.400 -0.155 0.000 2.182 424 D HA -0.146 4.495 4.640 0.001 0.000 0.201 424 D C 2.175 178.391 176.300 -0.140 0.000 0.986 424 D CA 1.188 55.118 54.000 -0.116 0.000 0.847 424 D CB -0.028 40.730 40.800 -0.071 0.000 0.942 424 D HN 0.275 nan 8.370 nan 0.000 0.467 425 R N -0.212 120.172 120.500 -0.194 0.000 2.334 425 R HA 0.143 4.484 4.340 0.001 0.000 0.216 425 R C -0.147 176.026 176.300 -0.211 0.000 0.905 425 R CA -0.085 55.914 56.100 -0.169 0.000 1.064 425 R CB 0.013 30.231 30.300 -0.136 0.000 1.046 425 R HN 0.113 nan 8.270 nan 0.000 0.508 426 N N 1.133 119.633 118.700 -0.333 0.000 2.705 426 N HA -0.151 4.590 4.740 0.001 0.000 0.255 426 N C -1.052 174.318 175.510 -0.233 0.000 1.008 426 N CA 0.615 53.488 53.050 -0.295 0.000 0.742 426 N CB -0.860 37.583 38.487 -0.075 0.000 0.906 426 N HN 0.119 nan 8.380 nan 0.000 0.541 427 T N 1.156 115.421 114.554 -0.482 0.000 2.905 427 T HA 0.111 4.462 4.350 0.001 0.000 0.299 427 T C -1.983 172.691 174.700 -0.043 0.000 1.024 427 T CA -0.458 61.484 62.100 -0.262 0.000 1.151 427 T CB 0.423 69.074 68.868 -0.362 0.000 0.987 427 T HN 0.043 nan 8.240 nan 0.000 0.535 428 P HA 0.265 nan 4.420 nan 0.000 0.263 428 P C -0.943 176.309 177.300 -0.081 0.000 1.195 428 P CA -0.140 62.911 63.100 -0.082 0.000 0.762 428 P CB 0.440 32.175 31.700 0.059 0.000 0.799 429 V N 4.754 124.470 119.914 -0.331 0.000 2.789 429 V HA 0.531 4.651 4.120 0.001 0.000 0.311 429 V C -0.386 175.400 176.094 -0.512 0.000 1.073 429 V CA -0.382 61.828 62.300 -0.150 0.000 0.921 429 V CB 1.590 33.481 31.823 0.115 0.000 1.009 429 V HN 0.334 nan 8.190 nan 0.000 0.426 430 F N 1.680 121.672 119.950 0.070 0.000 2.611 430 F HA 0.584 5.112 4.527 0.001 0.000 0.324 430 F C 1.330 177.152 175.800 0.037 0.000 1.061 430 F CA -1.013 57.012 58.000 0.042 0.000 0.954 430 F CB 1.753 40.778 39.000 0.041 0.000 1.301 430 F HN 0.275 nan 8.300 nan 0.000 0.482 431 R N 0.237 120.865 120.500 0.214 0.000 2.152 431 R HA -0.117 4.223 4.340 0.001 0.000 0.232 431 R C 0.662 177.035 176.300 0.121 0.000 1.117 431 R CA 1.548 57.722 56.100 0.124 0.000 0.981 431 R CB -0.324 30.032 30.300 0.094 0.000 0.870 431 R HN 0.637 nan 8.270 nan 0.000 0.451 432 D N -0.050 120.437 120.400 0.146 0.000 2.336 432 D HA 0.000 4.641 4.640 0.001 0.000 0.228 432 D C -0.528 175.844 176.300 0.120 0.000 1.120 432 D CA 0.003 54.067 54.000 0.108 0.000 0.839 432 D CB -0.057 40.786 40.800 0.073 0.000 0.932 432 D HN -0.098 nan 8.370 nan 0.000 0.509 433 D N 0.260 120.750 120.400 0.150 0.000 2.210 433 D HA 0.233 4.874 4.640 0.001 0.000 0.249 433 D C -0.205 176.153 176.300 0.096 0.000 1.062 433 D CA -0.543 53.542 54.000 0.143 0.000 0.891 433 D CB 2.572 43.483 40.800 0.185 0.000 1.186 433 D HN -0.148 nan 8.370 nan 0.000 0.432 434 V N 2.391 122.359 119.914 0.089 0.000 2.347 434 V HA 0.210 4.330 4.120 0.001 0.000 0.280 434 V C -0.043 176.045 176.094 -0.010 0.000 1.021 434 V CA -0.643 61.664 62.300 0.013 0.000 0.847 434 V CB 1.206 33.062 31.823 0.055 0.000 0.990 434 V HN 0.660 nan 8.190 nan 0.000 0.444 435 C N 6.157 125.381 119.300 -0.126 0.000 2.264 435 C HA 0.612 5.073 4.460 0.001 0.000 0.324 435 C C -0.047 174.662 174.990 -0.469 0.000 1.267 435 C CA -0.899 57.987 59.018 -0.220 0.000 1.618 435 C CB -0.391 27.283 27.740 -0.109 0.000 2.278 435 C HN 0.665 nan 8.230 nan 0.000 0.499 436 F N 2.302 121.918 119.950 -0.557 0.000 2.404 436 F HA 0.567 5.094 4.527 0.001 0.000 0.339 436 F C 0.039 175.359 175.800 -0.800 0.000 1.105 436 F CA -0.515 57.187 58.000 -0.495 0.000 1.087 436 F CB 0.676 39.436 39.000 -0.401 0.000 1.143 436 F HN 0.436 nan 8.300 nan 0.000 0.491 437 F N 3.975 123.918 119.950 -0.011 0.000 2.430 437 F HA 0.430 4.958 4.527 0.001 0.000 0.362 437 F C -0.644 175.147 175.800 -0.015 0.000 1.103 437 F CA -0.740 57.237 58.000 -0.038 0.000 1.045 437 F CB 0.868 39.824 39.000 -0.073 0.000 1.276 437 F HN 0.099 nan 8.300 nan 0.000 0.444 438 L N 3.055 124.326 121.223 0.080 0.000 2.260 438 L HA 0.635 4.976 4.340 0.001 0.000 0.289 438 L C 0.126 177.040 176.870 0.073 0.000 1.057 438 L CA -0.423 54.451 54.840 0.056 0.000 0.811 438 L CB 1.236 43.299 42.059 0.007 0.000 1.184 438 L HN 0.576 nan 8.230 nan 0.000 0.429 439 S N 1.691 117.433 115.700 0.071 0.000 2.616 439 S HA 0.096 4.567 4.470 0.001 0.000 0.276 439 S C 0.305 174.940 174.600 0.059 0.000 1.159 439 S CA -0.534 57.705 58.200 0.065 0.000 1.000 439 S CB 1.727 64.967 63.200 0.066 0.000 1.117 439 S HN 0.705 nan 8.310 nan 0.000 0.464 440 Q N 2.972 122.806 119.800 0.056 0.000 2.030 440 Q HA -0.115 4.225 4.340 0.001 0.000 0.204 440 Q C 1.929 177.956 176.000 0.046 0.000 0.986 440 Q CA 2.822 58.657 55.803 0.054 0.000 0.843 440 Q CB -0.538 28.230 28.738 0.049 0.000 0.904 440 Q HN 0.889 nan 8.270 nan 0.000 0.420 441 S N -1.580 114.141 115.700 0.035 0.000 2.371 441 S HA 0.038 4.509 4.470 0.001 0.000 0.224 441 S C 1.572 176.190 174.600 0.029 0.000 1.029 441 S CA 1.338 59.553 58.200 0.024 0.000 0.978 441 S CB -0.333 62.875 63.200 0.014 0.000 0.833 441 S HN 0.666 nan 8.310 nan 0.000 0.466 442 G N 0.743 109.563 108.800 0.032 0.000 2.143 442 G HA2 -0.199 3.762 3.960 0.001 0.000 0.249 442 G HA3 -0.199 3.762 3.960 0.001 0.000 0.249 442 G C 0.533 175.438 174.900 0.009 0.000 0.981 442 G CA 0.476 45.593 45.100 0.027 0.000 0.665 442 G HN 0.529 nan 8.290 nan 0.000 0.528 443 E N -0.317 119.888 120.200 0.008 0.000 2.536 443 E HA 0.087 4.437 4.350 0.001 0.000 0.220 443 E C 0.794 177.393 176.600 -0.001 0.000 0.876 443 E CA 0.460 56.859 56.400 -0.002 0.000 1.190 443 E CB 0.092 29.791 29.700 -0.002 0.000 1.191 443 E HN 0.372 nan 8.360 nan 0.000 0.557 444 T N 2.364 116.923 114.554 0.008 0.000 2.765 444 T HA 0.006 4.356 4.350 0.001 0.000 0.275 444 T C 1.399 176.103 174.700 0.008 0.000 1.007 444 T CA 0.587 62.692 62.100 0.010 0.000 1.175 444 T CB 0.919 69.799 68.868 0.019 0.000 0.993 444 T HN 0.170 nan 8.240 nan 0.000 0.510 445 A N 4.095 126.917 122.820 0.004 0.000 1.883 445 A HA -0.145 4.176 4.320 0.001 0.000 0.217 445 A C 2.162 179.753 177.584 0.011 0.000 1.186 445 A CA 1.521 53.560 52.037 0.002 0.000 0.624 445 A CB -0.331 18.670 19.000 0.001 0.000 0.822 445 A HN 0.783 nan 8.150 nan 0.000 0.444 446 D N -0.759 119.652 120.400 0.020 0.000 2.117 446 D HA -0.076 4.565 4.640 0.001 0.000 0.198 446 D C 2.069 178.407 176.300 0.064 0.000 0.982 446 D CA 1.834 55.856 54.000 0.038 0.000 0.828 446 D CB -0.685 40.134 40.800 0.031 0.000 0.967 446 D HN 0.407 nan 8.370 nan 0.000 0.464 447 T N 1.440 116.031 114.554 0.061 0.000 2.788 447 T HA -0.142 4.208 4.350 0.001 0.000 0.268 447 T C 1.943 176.666 174.700 0.038 0.000 1.044 447 T CA 0.501 62.665 62.100 0.107 0.000 1.139 447 T CB -0.272 68.662 68.868 0.109 0.000 0.867 447 T HN 0.023 nan 8.240 nan 0.000 0.454 448 L N 0.667 121.879 121.223 -0.019 0.000 2.056 448 L HA 0.035 4.376 4.340 0.001 0.000 0.207 448 L C 2.192 179.010 176.870 -0.086 0.000 1.078 448 L CA 1.655 56.440 54.840 -0.092 0.000 0.749 448 L CB -0.571 41.454 42.059 -0.057 0.000 0.901 448 L HN 0.145 nan 8.230 nan 0.000 0.433 449 M N -0.858 118.738 119.600 -0.007 0.000 2.229 449 M HA -0.025 4.455 4.480 0.001 0.000 0.264 449 M C 2.273 178.641 176.300 0.114 0.000 1.063 449 M CA 1.368 56.690 55.300 0.037 0.000 1.114 449 M CB -1.992 30.637 32.600 0.048 0.000 1.387 449 M HN 0.407 nan 8.290 nan 0.000 0.420 450 G N 0.539 109.436 108.800 0.161 0.000 2.442 450 G HA2 -0.209 3.752 3.960 0.001 0.000 0.219 450 G HA3 -0.209 3.752 3.960 0.001 0.000 0.219 450 G C 1.548 176.602 174.900 0.257 0.000 1.141 450 G CA 0.765 46.076 45.100 0.352 0.000 0.763 450 G HN 0.393 nan 8.290 nan 0.000 0.554 451 L N 0.581 121.601 121.223 -0.338 0.000 1.994 451 L HA 0.043 4.384 4.340 0.001 0.000 0.208 451 L C 2.834 179.547 176.870 -0.263 0.000 1.071 451 L CA 1.863 56.156 54.840 -0.911 0.000 0.745 451 L CB -0.678 40.732 42.059 -1.082 0.000 0.892 451 L HN 0.146 nan 8.230 nan 0.000 0.431 452 R N -2.070 118.360 120.500 -0.118 0.000 2.115 452 R HA -0.192 4.149 4.340 0.001 0.000 0.230 452 R C 2.237 178.572 176.300 0.059 0.000 1.111 452 R CA 1.667 57.747 56.100 -0.034 0.000 0.976 452 R CB -0.660 29.628 30.300 -0.020 0.000 0.870 452 R HN 0.518 nan 8.270 nan 0.000 0.445 453 Y N 0.496 120.815 120.300 0.032 0.000 2.114 453 Y HA -0.319 4.232 4.550 0.001 0.000 0.284 453 Y C 2.243 178.203 175.900 0.100 0.000 1.143 453 Y CA 1.493 59.640 58.100 0.077 0.000 1.135 453 Y CB -0.375 38.174 38.460 0.149 0.000 0.980 453 Y HN 0.013 nan 8.280 nan 0.000 0.499 454 C N 0.924 120.429 119.300 0.342 0.000 2.425 454 C HA -0.160 4.300 4.460 0.001 0.000 0.277 454 C C 2.606 177.625 174.990 0.048 0.000 1.280 454 C CA 1.449 60.612 59.018 0.241 0.000 1.744 454 C CB -1.031 26.971 27.740 0.437 0.000 1.989 454 C HN 0.549 nan 8.230 nan 0.000 0.491 455 K N 0.653 121.059 120.400 0.009 0.000 2.026 455 K HA -0.191 4.130 4.320 0.001 0.000 0.208 455 K C 2.069 178.631 176.600 -0.064 0.000 1.048 455 K CA 1.401 57.667 56.287 -0.034 0.000 0.929 455 K CB -0.275 32.192 32.500 -0.054 0.000 0.713 455 K HN 0.553 nan 8.250 nan 0.000 0.439 456 E N 0.865 121.007 120.200 -0.097 0.000 2.160 456 E HA -0.204 4.147 4.350 0.001 0.000 0.195 456 E C 1.613 178.121 176.600 -0.153 0.000 0.991 456 E CA 1.162 57.488 56.400 -0.124 0.000 0.810 456 E CB 0.175 29.783 29.700 -0.152 0.000 0.742 456 E HN 0.149 nan 8.360 nan 0.000 0.466 457 R N -1.516 118.865 120.500 -0.198 0.000 2.310 457 R HA 0.098 4.439 4.340 0.001 0.000 0.202 457 R C 1.199 177.444 176.300 -0.091 0.000 0.933 457 R CA 0.586 56.573 56.100 -0.189 0.000 1.054 457 R CB 0.616 30.742 30.300 -0.289 0.000 0.985 457 R HN 0.308 nan 8.270 nan 0.000 0.489 458 G N -0.224 108.545 108.800 -0.053 0.000 2.175 458 G HA2 -0.285 3.676 3.960 0.001 0.000 0.244 458 G HA3 -0.285 3.676 3.960 0.001 0.000 0.244 458 G C 0.241 175.151 174.900 0.017 0.000 0.982 458 G CA -0.124 44.969 45.100 -0.011 0.000 0.641 458 G HN 0.494 nan 8.290 nan 0.000 0.527 459 A N -0.040 122.795 122.820 0.026 0.000 2.483 459 A HA 0.607 4.928 4.320 0.001 0.000 0.238 459 A C 0.689 178.288 177.584 0.025 0.000 1.070 459 A CA 0.345 52.414 52.037 0.053 0.000 0.770 459 A CB 0.474 19.528 19.000 0.090 0.000 1.008 459 A HN 1.354 nan 8.150 nan 0.000 0.497 460 L N 2.317 123.546 121.223 0.010 0.000 2.367 460 L HA 0.414 4.755 4.340 0.001 0.000 0.275 460 L C 0.600 177.411 176.870 -0.097 0.000 1.129 460 L CA -0.004 54.805 54.840 -0.051 0.000 0.839 460 L CB 0.820 42.856 42.059 -0.039 0.000 1.133 460 L HN 0.891 nan 8.230 nan 0.000 0.453 461 T N 2.123 116.598 114.554 -0.132 0.000 2.856 461 T HA 0.706 5.057 4.350 0.001 0.000 0.283 461 T C -0.590 173.984 174.700 -0.210 0.000 1.008 461 T CA -0.753 61.303 62.100 -0.074 0.000 0.997 461 T CB 1.825 70.703 68.868 0.016 0.000 0.992 461 T HN 0.268 nan 8.240 nan 0.000 0.454 462 V N 1.768 121.533 119.914 -0.247 0.000 2.638 462 V HA 0.782 4.903 4.120 0.001 0.000 0.306 462 V C 0.581 176.593 176.094 -0.137 0.000 1.052 462 V CA -0.920 61.162 62.300 -0.364 0.000 0.885 462 V CB 2.008 33.304 31.823 -0.877 0.000 0.999 462 V HN 1.269 nan 8.190 nan 0.000 0.424 463 G N 4.584 113.323 108.800 -0.101 0.000 2.335 463 G HA2 0.643 4.604 3.960 0.001 0.000 0.314 463 G HA3 0.643 4.604 3.960 0.001 0.000 0.314 463 G C -0.668 174.207 174.900 -0.041 0.000 1.129 463 G CA -0.372 44.711 45.100 -0.027 0.000 0.912 463 G HN 0.468 nan 8.290 nan 0.000 0.443 464 I N 3.542 124.127 120.570 0.025 0.000 2.388 464 I HA 0.291 4.461 4.170 0.001 0.000 0.281 464 I C 0.614 176.750 176.117 0.033 0.000 1.046 464 I CA -0.460 60.853 61.300 0.022 0.000 1.187 464 I CB 0.177 38.205 38.000 0.047 0.000 1.351 464 I HN 0.538 nan 8.210 nan 0.000 0.472 465 T N 1.370 115.939 114.554 0.024 0.000 2.907 465 T HA 0.421 4.772 4.350 0.001 0.000 0.290 465 T C 0.328 175.107 174.700 0.133 0.000 1.066 465 T CA -0.642 61.504 62.100 0.077 0.000 1.012 465 T CB 2.518 71.437 68.868 0.085 0.000 1.184 465 T HN 0.288 nan 8.240 nan 0.000 0.522 466 N N -0.559 118.213 118.700 0.120 0.000 2.187 466 N HA 0.241 4.981 4.740 0.001 0.000 0.212 466 N C -0.840 174.722 175.510 0.086 0.000 1.152 466 N CA -0.234 52.880 53.050 0.107 0.000 0.872 466 N CB 0.658 39.184 38.487 0.066 0.000 1.025 466 N HN 0.725 nan 8.380 nan 0.000 0.514 467 T N 0.209 114.835 114.554 0.119 0.000 2.930 467 T HA 0.301 4.652 4.350 0.001 0.000 0.313 467 T C -0.439 174.299 174.700 0.063 0.000 1.019 467 T CA -0.509 61.623 62.100 0.054 0.000 1.004 467 T CB 1.631 70.524 68.868 0.042 0.000 0.987 467 T HN -0.228 nan 8.240 nan 0.000 0.456 468 V N 2.849 122.701 119.914 -0.103 0.000 2.599 468 V HA 0.382 4.502 4.120 0.001 0.000 0.300 468 V C 1.579 177.667 176.094 -0.011 0.000 1.034 468 V CA 1.187 63.378 62.300 -0.180 0.000 1.115 468 V CB 0.458 32.102 31.823 -0.300 0.000 0.934 468 V HN 1.254 nan 8.190 nan 0.000 0.485 469 G N 3.768 112.606 108.800 0.064 0.000 2.153 469 G HA2 -0.257 3.704 3.960 0.001 0.000 0.252 469 G HA3 -0.257 3.704 3.960 0.001 0.000 0.252 469 G C 0.347 175.268 174.900 0.035 0.000 0.994 469 G CA 0.340 45.465 45.100 0.043 0.000 0.698 469 G HN 1.249 nan 8.290 nan 0.000 0.521 470 S N -0.686 115.046 115.700 0.053 0.000 2.614 470 S HA 0.651 5.121 4.470 0.001 0.000 0.265 470 S C 1.583 176.191 174.600 0.014 0.000 1.303 470 S CA 0.597 58.815 58.200 0.030 0.000 1.000 470 S CB 1.671 64.894 63.200 0.038 0.000 0.935 470 S HN 0.555 nan 8.310 nan 0.000 0.551 471 S N 0.713 116.410 115.700 -0.005 0.000 2.370 471 S HA -0.092 4.378 4.470 0.001 0.000 0.226 471 S C 1.706 176.277 174.600 -0.048 0.000 1.033 471 S CA 1.512 59.696 58.200 -0.026 0.000 1.011 471 S CB -0.725 62.455 63.200 -0.033 0.000 0.852 471 S HN 0.664 nan 8.310 nan 0.000 0.457 472 I N 0.771 121.313 120.570 -0.047 0.000 2.315 472 I HA -0.131 4.039 4.170 0.001 0.000 0.248 472 I C 2.613 178.691 176.117 -0.064 0.000 1.117 472 I CA 0.882 62.136 61.300 -0.077 0.000 1.404 472 I CB -0.338 37.636 38.000 -0.044 0.000 1.071 472 I HN 0.268 nan 8.210 nan 0.000 0.419 473 S N 0.555 116.241 115.700 -0.023 0.000 2.382 473 S HA -0.131 4.340 4.470 0.001 0.000 0.228 473 S C 2.163 176.747 174.600 -0.027 0.000 1.027 473 S CA 1.345 59.530 58.200 -0.024 0.000 0.991 473 S CB -0.100 63.156 63.200 0.094 0.000 0.823 473 S HN 0.336 nan 8.310 nan 0.000 0.469 474 R N 0.142 120.631 120.500 -0.018 0.000 2.127 474 R HA 0.139 4.480 4.340 0.001 0.000 0.217 474 R C 1.989 178.262 176.300 -0.046 0.000 1.074 474 R CA 1.085 57.173 56.100 -0.020 0.000 0.991 474 R CB -0.092 30.201 30.300 -0.011 0.000 0.895 474 R HN 0.506 nan 8.270 nan 0.000 0.450 475 E N 0.348 120.504 120.200 -0.072 0.000 2.447 475 E HA -0.014 4.337 4.350 0.001 0.000 0.195 475 E C 0.189 176.716 176.600 -0.121 0.000 1.028 475 E CA 0.371 56.715 56.400 -0.093 0.000 0.876 475 E CB 0.467 30.100 29.700 -0.111 0.000 0.885 475 E HN 0.278 nan 8.360 nan 0.000 0.500 476 T N -0.493 113.982 114.554 -0.131 0.000 2.899 476 T HA 0.054 4.404 4.350 0.001 0.000 0.295 476 T C 0.694 175.309 174.700 -0.143 0.000 1.033 476 T CA -0.713 61.300 62.100 -0.145 0.000 1.084 476 T CB 1.313 70.100 68.868 -0.135 0.000 0.979 476 T HN -0.195 nan 8.240 nan 0.000 0.532 477 D N 0.343 120.622 120.400 -0.200 0.000 2.144 477 D HA 0.005 4.646 4.640 0.001 0.000 0.199 477 D C 1.263 177.378 176.300 -0.308 0.000 0.984 477 D CA 1.153 54.981 54.000 -0.286 0.000 0.834 477 D CB -0.246 40.245 40.800 -0.515 0.000 0.955 477 D HN 0.846 nan 8.370 nan 0.000 0.465 478 C N -2.498 116.620 119.300 -0.302 0.000 3.340 478 C HA 0.919 5.380 4.460 0.001 0.000 0.333 478 C C 0.067 174.963 174.990 -0.156 0.000 1.464 478 C CA -0.483 58.438 59.018 -0.161 0.000 1.337 478 C CB 1.681 29.361 27.740 -0.099 0.000 1.740 478 C HN 0.300 nan 8.230 nan 0.000 0.450 479 G N -0.831 107.896 108.800 -0.121 0.000 2.623 479 G HA2 0.655 4.616 3.960 0.001 0.000 0.290 479 G HA3 0.655 4.616 3.960 0.001 0.000 0.290 479 G C -2.168 172.650 174.900 -0.135 0.000 1.437 479 G CA -0.421 44.583 45.100 -0.160 0.000 0.798 479 G HN 1.393 nan 8.290 nan 0.000 0.488 480 V N 0.778 120.608 119.914 -0.139 0.000 2.483 480 V HA 0.394 4.515 4.120 0.001 0.000 0.297 480 V C -0.700 175.320 176.094 -0.124 0.000 1.027 480 V CA -0.855 61.397 62.300 -0.080 0.000 0.855 480 V CB 1.304 33.140 31.823 0.020 0.000 0.995 480 V HN 0.789 nan 8.190 nan 0.000 0.424 481 H N 4.314 123.404 119.070 0.033 0.000 2.668 481 H HA 0.320 4.877 4.556 0.001 0.000 0.303 481 H C 1.404 176.751 175.328 0.031 0.000 1.074 481 H CA -0.270 55.794 56.048 0.028 0.000 1.406 481 H CB 1.338 31.113 29.762 0.022 0.000 1.442 481 H HN 0.772 nan 8.280 nan 0.000 0.482 482 I N -0.588 120.070 120.570 0.147 0.000 3.111 482 I HA -0.070 4.101 4.170 0.001 0.000 0.272 482 I C -0.029 176.138 176.117 0.083 0.000 1.268 482 I CA 0.116 61.471 61.300 0.093 0.000 1.467 482 I CB 0.014 38.056 38.000 0.070 0.000 1.087 482 I HN 0.552 nan 8.210 nan 0.000 0.467 483 N N 1.324 120.077 118.700 0.089 0.000 2.735 483 N HA -0.220 4.520 4.740 0.001 0.000 0.248 483 N C 0.942 176.478 175.510 0.043 0.000 1.083 483 N CA 0.932 54.016 53.050 0.056 0.000 0.703 483 N CB -1.116 37.403 38.487 0.054 0.000 1.005 483 N HN 0.742 nan 8.380 nan 0.000 0.550 484 A N -0.332 122.514 122.820 0.043 0.000 2.014 484 A HA 0.434 4.755 4.320 0.001 0.000 0.218 484 A C 1.401 179.002 177.584 0.028 0.000 1.163 484 A CA 1.706 53.764 52.037 0.035 0.000 0.652 484 A CB -0.163 18.860 19.000 0.039 0.000 0.808 484 A HN 1.472 nan 8.150 nan 0.000 0.449 485 G N -1.767 107.047 108.800 0.023 0.000 2.699 485 G HA2 0.038 3.999 3.960 0.001 0.000 0.686 485 G HA3 0.038 3.999 3.960 0.001 0.000 0.686 485 G C -3.121 171.785 174.900 0.010 0.000 1.301 485 G CA -0.601 44.508 45.100 0.015 0.000 0.816 485 G HN 0.191 nan 8.290 nan 0.000 0.595 486 P HA 0.209 nan 4.420 nan 0.000 0.263 486 P C -0.190 177.100 177.300 -0.017 0.000 1.175 486 P CA 0.586 63.677 63.100 -0.015 0.000 0.761 486 P CB 0.556 32.241 31.700 -0.026 0.000 0.794 487 E N 3.195 123.379 120.200 -0.026 0.000 2.055 487 E HA 0.160 4.511 4.350 0.001 0.000 0.274 487 E C 0.468 177.018 176.600 -0.083 0.000 0.949 487 E CA -0.379 56.004 56.400 -0.029 0.000 0.775 487 E CB 0.286 29.985 29.700 -0.003 0.000 1.097 487 E HN 0.256 nan 8.360 nan 0.000 0.404 488 I N 3.027 123.511 120.570 -0.144 0.000 3.462 488 I HA 0.123 4.294 4.170 0.001 0.000 0.290 488 I C 1.389 177.363 176.117 -0.239 0.000 1.236 488 I CA 0.415 61.512 61.300 -0.339 0.000 1.418 488 I CB -1.029 36.460 38.000 -0.851 0.000 1.102 488 I HN 0.486 nan 8.210 nan 0.000 0.441 489 G N 0.774 109.544 108.800 -0.049 0.000 2.716 489 G HA2 0.266 4.227 3.960 0.001 0.000 0.251 489 G HA3 0.266 4.227 3.960 0.001 0.000 0.251 489 G C 1.039 175.945 174.900 0.010 0.000 1.224 489 G CA -0.109 45.017 45.100 0.044 0.000 0.891 489 G HN 0.034 nan 8.290 nan 0.000 0.561 490 V N 0.365 120.300 119.914 0.035 0.000 2.825 490 V HA 0.281 4.401 4.120 0.001 0.000 0.246 490 V C 1.671 177.779 176.094 0.023 0.000 1.068 490 V CA 1.212 63.526 62.300 0.024 0.000 1.088 490 V CB -0.713 31.130 31.823 0.035 0.000 0.733 490 V HN 0.842 nan 8.190 nan 0.000 0.468 491 A N 0.500 123.338 122.820 0.030 0.000 2.309 491 A HA 0.578 4.899 4.320 0.001 0.000 0.298 491 A C 0.373 177.971 177.584 0.024 0.000 1.165 491 A CA -0.001 52.050 52.037 0.023 0.000 0.821 491 A CB 0.755 19.768 19.000 0.022 0.000 1.102 491 A HN 0.268 nan 8.150 nan 0.000 0.500 492 S N 1.641 117.358 115.700 0.028 0.000 2.510 492 S HA 0.359 4.830 4.470 0.001 0.000 0.279 492 S C 1.140 175.773 174.600 0.055 0.000 1.284 492 S CA 0.363 58.593 58.200 0.050 0.000 1.059 492 S CB 0.112 63.358 63.200 0.077 0.000 0.901 492 S HN 1.116 nan 8.310 nan 0.000 0.491 493 T N 2.966 117.556 114.554 0.059 0.000 3.447 493 T HA 0.188 4.539 4.350 0.001 0.000 0.218 493 T C 1.683 176.440 174.700 0.095 0.000 0.972 493 T CA 0.158 62.294 62.100 0.059 0.000 1.264 493 T CB -0.651 68.217 68.868 0.000 0.000 1.284 493 T HN 0.659 nan 8.240 nan 0.000 0.361 494 K N 2.202 122.632 120.400 0.050 0.000 2.152 494 K HA 0.140 4.460 4.320 0.001 0.000 0.206 494 K C 2.490 179.129 176.600 0.066 0.000 1.048 494 K CA 1.363 57.676 56.287 0.042 0.000 0.933 494 K CB -0.694 31.818 32.500 0.019 0.000 0.721 494 K HN 0.383 nan 8.250 nan 0.000 0.447 495 A N 1.289 124.159 122.820 0.083 0.000 1.902 495 A HA -0.190 4.131 4.320 0.001 0.000 0.217 495 A C 2.131 179.791 177.584 0.126 0.000 1.181 495 A CA 1.349 53.440 52.037 0.090 0.000 0.623 495 A CB -0.920 18.131 19.000 0.085 0.000 0.818 495 A HN 0.557 nan 8.150 nan 0.000 0.443 496 Y N 2.011 122.341 120.300 0.051 0.000 2.097 496 Y HA -0.271 4.280 4.550 0.001 0.000 0.282 496 Y C 2.845 178.814 175.900 0.115 0.000 1.152 496 Y CA 2.743 60.892 58.100 0.082 0.000 1.136 496 Y CB -0.848 37.662 38.460 0.083 0.000 0.975 496 Y HN 0.431 nan 8.280 nan 0.000 0.498 497 T N -3.243 111.301 114.554 -0.017 0.000 2.904 497 T HA -0.096 4.254 4.350 0.001 0.000 0.267 497 T C 2.074 176.738 174.700 -0.059 0.000 1.059 497 T CA 1.297 63.315 62.100 -0.137 0.000 1.137 497 T CB -0.724 68.096 68.868 -0.081 0.000 0.879 497 T HN 0.288 nan 8.240 nan 0.000 0.467 498 S N 1.626 117.323 115.700 -0.005 0.000 2.368 498 S HA -0.083 4.388 4.470 0.001 0.000 0.224 498 S C 2.264 176.881 174.600 0.028 0.000 1.029 498 S CA 1.021 59.234 58.200 0.021 0.000 0.988 498 S CB -0.370 62.851 63.200 0.035 0.000 0.838 498 S HN 0.610 nan 8.310 nan 0.000 0.462 499 Q N -0.302 119.504 119.800 0.010 0.000 2.124 499 Q HA -0.089 4.251 4.340 0.001 0.000 0.202 499 Q C 1.804 177.788 176.000 -0.027 0.000 0.977 499 Q CA 1.353 57.151 55.803 -0.009 0.000 0.850 499 Q CB -0.255 28.474 28.738 -0.015 0.000 0.901 499 Q HN 0.600 nan 8.270 nan 0.000 0.429 500 F N 0.256 120.057 119.950 -0.247 0.000 2.075 500 F HA -0.264 4.264 4.527 0.001 0.000 0.297 500 F C 2.039 177.756 175.800 -0.139 0.000 1.113 500 F CA 1.064 58.910 58.000 -0.258 0.000 1.218 500 F CB 0.024 38.791 39.000 -0.388 0.000 0.984 500 F HN -0.173 nan 8.300 nan 0.000 0.472 501 V N -0.443 119.623 119.914 0.252 0.000 2.407 501 V HA -0.306 3.815 4.120 0.001 0.000 0.248 501 V C 2.371 178.524 176.094 0.099 0.000 1.055 501 V CA 2.001 64.401 62.300 0.166 0.000 1.049 501 V CB -0.886 30.990 31.823 0.087 0.000 0.662 501 V HN 0.346 nan 8.190 nan 0.000 0.455 502 S N 0.090 115.830 115.700 0.067 0.000 2.353 502 S HA -0.167 4.304 4.470 0.001 0.000 0.222 502 S C 1.911 176.545 174.600 0.056 0.000 1.035 502 S CA 1.706 59.941 58.200 0.058 0.000 1.025 502 S CB -0.416 62.810 63.200 0.042 0.000 0.902 502 S HN 0.471 nan 8.310 nan 0.000 0.440 503 L N 1.100 122.314 121.223 -0.016 0.000 2.131 503 L HA -0.089 4.252 4.340 0.001 0.000 0.210 503 L C 2.268 179.140 176.870 0.004 0.000 1.092 503 L CA 0.672 55.471 54.840 -0.068 0.000 0.759 503 L CB -0.538 41.389 42.059 -0.221 0.000 0.903 503 L HN 0.194 nan 8.230 nan 0.000 0.435 504 V N -0.484 119.432 119.914 0.004 0.000 2.358 504 V HA -0.316 3.805 4.120 0.001 0.000 0.246 504 V C 2.458 178.585 176.094 0.054 0.000 1.047 504 V CA 1.824 64.143 62.300 0.032 0.000 1.035 504 V CB -0.373 31.504 31.823 0.090 0.000 0.658 504 V HN 0.392 nan 8.190 nan 0.000 0.452 505 M N -1.079 118.565 119.600 0.073 0.000 2.108 505 M HA -0.200 4.280 4.480 0.001 0.000 0.261 505 M C 2.184 178.531 176.300 0.077 0.000 1.066 505 M CA 2.209 57.546 55.300 0.061 0.000 1.107 505 M CB -0.560 32.078 32.600 0.063 0.000 1.356 505 M HN 0.440 nan 8.290 nan 0.000 0.406 506 F N 1.205 121.150 119.950 -0.009 0.000 2.095 506 F HA -0.195 4.333 4.527 0.001 0.000 0.298 506 F C 2.359 178.152 175.800 -0.013 0.000 1.104 506 F CA 1.637 59.641 58.000 0.007 0.000 1.232 506 F CB -0.455 38.554 39.000 0.014 0.000 0.987 506 F HN 0.065 nan 8.300 nan 0.000 0.475 507 A N 0.823 123.627 122.820 -0.028 0.000 1.908 507 A HA -0.171 4.149 4.320 0.001 0.000 0.218 507 A C 2.301 179.795 177.584 -0.149 0.000 1.181 507 A CA 1.944 53.910 52.037 -0.120 0.000 0.627 507 A CB -1.291 17.699 19.000 -0.017 0.000 0.818 507 A HN 0.522 nan 8.150 nan 0.000 0.445 508 L N -1.614 119.557 121.223 -0.087 0.000 2.131 508 L HA -0.163 4.178 4.340 0.001 0.000 0.210 508 L C 2.799 179.605 176.870 -0.106 0.000 1.092 508 L CA 1.532 56.331 54.840 -0.068 0.000 0.759 508 L CB -0.354 41.688 42.059 -0.029 0.000 0.903 508 L HN 0.503 nan 8.230 nan 0.000 0.435 509 M N -1.168 118.335 119.600 -0.161 0.000 2.193 509 M HA -0.152 4.329 4.480 0.001 0.000 0.265 509 M C 2.255 178.424 176.300 -0.219 0.000 1.071 509 M CA 1.386 56.584 55.300 -0.169 0.000 1.140 509 M CB 0.123 32.622 32.600 -0.168 0.000 1.369 509 M HN 0.185 nan 8.290 nan 0.000 0.423 510 M N -0.251 119.135 119.600 -0.357 0.000 2.358 510 M HA -0.142 4.339 4.480 0.001 0.000 0.264 510 M C 1.917 178.120 176.300 -0.161 0.000 1.064 510 M CA 1.044 56.158 55.300 -0.311 0.000 1.093 510 M CB -1.249 31.089 32.600 -0.437 0.000 1.401 510 M HN 0.565 nan 8.290 nan 0.000 0.440 511 C N -0.695 118.528 119.300 -0.128 0.000 2.668 511 C HA 0.245 4.706 4.460 0.001 0.000 0.301 511 C C 1.302 176.257 174.990 -0.057 0.000 1.351 511 C CA -0.522 58.450 59.018 -0.076 0.000 1.757 511 C CB -1.546 26.157 27.740 -0.060 0.000 2.179 511 C HN 0.497 nan 8.230 nan 0.000 0.586 512 D N 0.279 120.642 120.400 -0.063 0.000 2.363 512 D HA -0.091 4.550 4.640 0.001 0.000 0.226 512 D C 0.892 177.174 176.300 -0.031 0.000 1.020 512 D CA 0.924 54.898 54.000 -0.043 0.000 0.892 512 D CB -0.425 40.349 40.800 -0.045 0.000 0.900 512 D HN 0.495 nan 8.370 nan 0.000 0.531 513 D N -0.522 119.859 120.400 -0.032 0.000 2.431 513 D HA 0.064 4.704 4.640 0.001 0.000 0.213 513 D C -0.277 176.012 176.300 -0.019 0.000 1.130 513 D CA -0.231 53.755 54.000 -0.023 0.000 0.834 513 D CB 0.268 41.055 40.800 -0.022 0.000 0.985 513 D HN -0.099 nan 8.370 nan 0.000 0.504 514 R N 1.096 121.583 120.500 -0.021 0.000 2.198 514 R HA 0.299 4.640 4.340 0.001 0.000 0.339 514 R C 1.176 177.467 176.300 -0.015 0.000 1.020 514 R CA -0.346 55.743 56.100 -0.018 0.000 0.864 514 R CB 1.057 31.346 30.300 -0.020 0.000 1.105 514 R HN 0.203 nan 8.270 nan 0.000 0.463 515 I N 1.300 121.863 120.570 -0.012 0.000 2.163 515 I HA -0.356 3.815 4.170 0.001 0.000 0.243 515 I C 2.160 178.270 176.117 -0.011 0.000 1.085 515 I CA 1.990 63.284 61.300 -0.011 0.000 1.347 515 I CB -0.215 37.780 38.000 -0.009 0.000 1.044 515 I HN 0.560 nan 8.210 nan 0.000 0.408 516 S N 0.168 115.862 115.700 -0.011 0.000 2.500 516 S HA -0.092 4.379 4.470 0.001 0.000 0.239 516 S C 1.657 176.251 174.600 -0.010 0.000 0.989 516 S CA 0.924 59.118 58.200 -0.010 0.000 0.951 516 S CB -0.332 62.862 63.200 -0.010 0.000 0.759 516 S HN 0.466 nan 8.310 nan 0.000 0.523 517 M N 0.130 119.723 119.600 -0.011 0.000 2.313 517 M HA 0.228 4.709 4.480 0.001 0.000 0.273 517 M C 1.872 178.167 176.300 -0.008 0.000 1.049 517 M CA -0.064 55.230 55.300 -0.010 0.000 1.004 517 M CB 0.195 32.786 32.600 -0.014 0.000 1.461 517 M HN 0.272 nan 8.290 nan 0.000 0.514 518 Q N 0.794 120.588 119.800 -0.010 0.000 2.096 518 Q HA -0.180 4.161 4.340 0.001 0.000 0.204 518 Q C 1.650 177.644 176.000 -0.011 0.000 0.982 518 Q CA 1.248 57.046 55.803 -0.010 0.000 0.850 518 Q CB 0.086 28.817 28.738 -0.012 0.000 0.901 518 Q HN 0.419 nan 8.270 nan 0.000 0.422 519 E N 0.384 120.576 120.200 -0.012 0.000 2.072 519 E HA -0.156 4.195 4.350 0.001 0.000 0.190 519 E C 1.920 178.518 176.600 -0.003 0.000 0.982 519 E CA 0.725 57.117 56.400 -0.014 0.000 0.803 519 E CB -0.163 29.529 29.700 -0.013 0.000 0.755 519 E HN 0.116 nan 8.360 nan 0.000 0.453 520 R N 2.087 122.588 120.500 0.002 0.000 2.096 520 R HA -0.158 4.183 4.340 0.001 0.000 0.240 520 R C 2.305 178.615 176.300 0.017 0.000 1.139 520 R CA 2.216 58.322 56.100 0.011 0.000 0.952 520 R CB -0.429 29.877 30.300 0.010 0.000 0.854 520 R HN 0.220 nan 8.270 nan 0.000 0.436 521 R N -0.176 120.332 120.500 0.013 0.000 2.115 521 R HA -0.048 4.293 4.340 0.001 0.000 0.226 521 R C 2.136 178.465 176.300 0.048 0.000 1.100 521 R CA 1.595 57.710 56.100 0.025 0.000 0.980 521 R CB -0.457 29.851 30.300 0.013 0.000 0.875 521 R HN 0.174 nan 8.270 nan 0.000 0.445 522 K N 1.588 122.004 120.400 0.027 0.000 2.097 522 K HA -0.183 4.138 4.320 0.001 0.000 0.205 522 K C 2.115 178.734 176.600 0.033 0.000 1.050 522 K CA 1.666 57.963 56.287 0.017 0.000 0.938 522 K CB -0.018 32.440 32.500 -0.071 0.000 0.718 522 K HN 0.345 nan 8.250 nan 0.000 0.442 523 E N 0.594 120.808 120.200 0.022 0.000 2.038 523 E HA -0.230 4.121 4.350 0.001 0.000 0.195 523 E C 1.904 178.539 176.600 0.057 0.000 1.000 523 E CA 1.809 58.229 56.400 0.033 0.000 0.803 523 E CB -0.134 29.582 29.700 0.026 0.000 0.750 523 E HN 0.410 nan 8.360 nan 0.000 0.448 524 I N 0.294 120.900 120.570 0.060 0.000 2.226 524 I HA -0.288 3.883 4.170 0.001 0.000 0.245 524 I C 2.649 178.839 176.117 0.122 0.000 1.100 524 I CA 1.018 62.359 61.300 0.067 0.000 1.374 524 I CB -0.206 37.826 38.000 0.054 0.000 1.057 524 I HN 0.244 nan 8.210 nan 0.000 0.413 525 M N -0.005 119.700 119.600 0.175 0.000 2.200 525 M HA -0.147 4.333 4.480 0.001 0.000 0.265 525 M C 2.319 178.857 176.300 0.396 0.000 1.066 525 M CA 1.611 57.097 55.300 0.309 0.000 1.127 525 M CB -0.197 32.611 32.600 0.346 0.000 1.379 525 M HN 0.212 nan 8.290 nan 0.000 0.420 526 L N -0.459 120.940 121.223 0.293 0.000 2.042 526 L HA -0.149 4.192 4.340 0.001 0.000 0.210 526 L C 2.648 179.578 176.870 0.100 0.000 1.076 526 L CA 1.388 56.353 54.840 0.209 0.000 0.749 526 L CB -1.208 40.921 42.059 0.117 0.000 0.893 526 L HN 0.409 nan 8.230 nan 0.000 0.432 527 G N -0.025 108.823 108.800 0.081 0.000 2.440 527 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 527 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 527 G C 1.619 176.533 174.900 0.023 0.000 1.154 527 G CA 0.600 45.716 45.100 0.028 0.000 0.767 527 G HN 0.242 nan 8.290 nan 0.000 0.552 528 L N -0.071 121.211 121.223 0.098 0.000 2.083 528 L HA -0.017 4.324 4.340 0.001 0.000 0.209 528 L C 2.797 179.669 176.870 0.003 0.000 1.083 528 L CA 1.405 56.318 54.840 0.123 0.000 0.752 528 L CB -0.264 41.960 42.059 0.276 0.000 0.899 528 L HN 0.216 nan 8.230 nan 0.000 0.433 529 K N 0.183 120.479 120.400 -0.173 0.000 2.148 529 K HA -0.122 4.199 4.320 0.001 0.000 0.204 529 K C 2.190 178.598 176.600 -0.320 0.000 1.050 529 K CA 1.065 56.959 56.287 -0.655 0.000 0.942 529 K CB 0.127 32.136 32.500 -0.819 0.000 0.724 529 K HN 0.202 nan 8.250 nan 0.000 0.446 530 R N 0.128 120.532 120.500 -0.159 0.000 2.240 530 R HA -0.015 4.325 4.340 0.001 0.000 0.203 530 R C 2.078 178.326 176.300 -0.087 0.000 1.011 530 R CA 0.162 56.200 56.100 -0.102 0.000 1.007 530 R CB -0.099 30.168 30.300 -0.056 0.000 0.911 530 R HN 0.134 nan 8.270 nan 0.000 0.468 531 L N 1.958 123.130 121.223 -0.086 0.000 2.079 531 L HA -0.092 4.249 4.340 0.001 0.000 0.210 531 L C -1.048 175.776 176.870 -0.076 0.000 1.081 531 L CA 1.980 56.772 54.840 -0.079 0.000 0.752 531 L CB -0.783 41.232 42.059 -0.073 0.000 0.896 531 L HN 0.003 nan 8.230 nan 0.000 0.433 532 P HA -0.091 nan 4.420 nan 0.000 0.217 532 P C 0.923 178.193 177.300 -0.050 0.000 1.150 532 P CA 1.372 64.437 63.100 -0.058 0.000 0.832 532 P CB 0.002 31.670 31.700 -0.053 0.000 0.787 533 D N -0.918 119.451 120.400 -0.052 0.000 2.149 533 D HA -0.052 4.589 4.640 0.001 0.000 0.201 533 D C 1.929 178.207 176.300 -0.036 0.000 0.972 533 D CA 0.855 54.833 54.000 -0.038 0.000 0.835 533 D CB -0.697 40.080 40.800 -0.037 0.000 0.966 533 D HN 0.147 nan 8.370 nan 0.000 0.476 534 L N 0.349 121.545 121.223 -0.045 0.000 2.275 534 L HA -0.054 4.286 4.340 0.001 0.000 0.215 534 L C 2.209 179.046 176.870 -0.055 0.000 1.119 534 L CA 0.521 55.334 54.840 -0.044 0.000 0.790 534 L CB -0.261 41.767 42.059 -0.051 0.000 0.919 534 L HN 0.057 nan 8.230 nan 0.000 0.443 535 I N -0.218 120.312 120.570 -0.066 0.000 2.353 535 I HA -0.227 3.944 4.170 0.001 0.000 0.248 535 I C 2.434 178.505 176.117 -0.077 0.000 1.119 535 I CA 1.083 62.333 61.300 -0.083 0.000 1.417 535 I CB -0.196 37.749 38.000 -0.092 0.000 1.078 535 I HN 0.166 nan 8.210 nan 0.000 0.421 536 K N 0.665 121.037 120.400 -0.046 0.000 2.103 536 K HA -0.242 4.078 4.320 0.001 0.000 0.207 536 K C 2.061 178.654 176.600 -0.012 0.000 1.048 536 K CA 1.490 57.766 56.287 -0.018 0.000 0.930 536 K CB -0.152 32.351 32.500 0.005 0.000 0.716 536 K HN 0.313 nan 8.250 nan 0.000 0.444 537 E N 0.653 120.843 120.200 -0.017 0.000 2.106 537 E HA -0.146 4.205 4.350 0.001 0.000 0.192 537 E C 1.855 178.444 176.600 -0.017 0.000 0.984 537 E CA 0.763 57.158 56.400 -0.009 0.000 0.806 537 E CB 0.254 29.950 29.700 -0.008 0.000 0.750 537 E HN 0.037 nan 8.360 nan 0.000 0.458 538 V N 1.264 121.154 119.914 -0.041 0.000 2.358 538 V HA -0.245 3.876 4.120 0.001 0.000 0.246 538 V C 2.383 178.431 176.094 -0.076 0.000 1.047 538 V CA 1.327 63.594 62.300 -0.055 0.000 1.035 538 V CB -0.363 31.415 31.823 -0.075 0.000 0.658 538 V HN 0.348 nan 8.190 nan 0.000 0.452 539 L N -0.130 121.018 121.223 -0.125 0.000 2.265 539 L HA -0.123 4.218 4.340 0.001 0.000 0.215 539 L C 2.459 179.335 176.870 0.009 0.000 1.117 539 L CA 1.101 55.818 54.840 -0.205 0.000 0.782 539 L CB -0.504 41.349 42.059 -0.342 0.000 0.914 539 L HN 0.299 nan 8.230 nan 0.000 0.441 540 S N -0.385 115.338 115.700 0.038 0.000 2.447 540 S HA -0.059 4.412 4.470 0.001 0.000 0.233 540 S C 1.555 176.197 174.600 0.070 0.000 1.006 540 S CA 1.016 59.261 58.200 0.075 0.000 0.957 540 S CB -0.145 63.084 63.200 0.048 0.000 0.773 540 S HN 0.394 nan 8.310 nan 0.000 0.507 541 M N 1.072 120.701 119.600 0.048 0.000 2.608 541 M HA 0.106 4.586 4.480 0.001 0.000 0.224 541 M C 1.062 177.410 176.300 0.081 0.000 1.204 541 M CA 0.075 55.404 55.300 0.050 0.000 0.984 541 M CB -0.135 32.483 32.600 0.029 0.000 1.691 541 M HN 0.017 nan 8.290 nan 0.000 0.469 542 D N 1.225 121.707 120.400 0.137 0.000 2.178 542 D HA -0.208 4.433 4.640 0.001 0.000 0.201 542 D C 1.537 177.902 176.300 0.109 0.000 0.980 542 D CA 1.463 55.600 54.000 0.229 0.000 0.842 542 D CB 0.266 41.322 40.800 0.426 0.000 0.948 542 D HN 0.402 nan 8.370 nan 0.000 0.472 543 D N -0.108 120.330 120.400 0.062 0.000 2.084 543 D HA -0.126 4.515 4.640 0.001 0.000 0.196 543 D C 1.812 178.104 176.300 -0.013 0.000 0.985 543 D CA 1.118 55.117 54.000 -0.001 0.000 0.826 543 D CB -0.069 40.739 40.800 0.013 0.000 0.978 543 D HN 0.213 nan 8.370 nan 0.000 0.456 544 E N -0.465 119.744 120.200 0.015 0.000 2.130 544 E HA -0.180 4.171 4.350 0.001 0.000 0.196 544 E C 2.246 178.859 176.600 0.021 0.000 0.998 544 E CA 0.913 57.322 56.400 0.016 0.000 0.806 544 E CB -0.086 29.628 29.700 0.024 0.000 0.738 544 E HN 0.466 nan 8.360 nan 0.000 0.459 545 I N 0.500 121.095 120.570 0.041 0.000 2.353 545 I HA -0.239 3.932 4.170 0.001 0.000 0.248 545 I C 2.451 178.596 176.117 0.046 0.000 1.119 545 I CA 0.794 62.143 61.300 0.081 0.000 1.417 545 I CB -0.130 37.968 38.000 0.164 0.000 1.078 545 I HN 0.076 nan 8.210 nan 0.000 0.421 546 Q N 1.302 121.030 119.800 -0.119 0.000 2.014 546 Q HA -0.282 4.059 4.340 0.001 0.000 0.207 546 Q C 2.181 178.123 176.000 -0.097 0.000 0.993 546 Q CA 2.418 58.046 55.803 -0.292 0.000 0.850 546 Q CB -0.170 28.320 28.738 -0.414 0.000 0.916 546 Q HN 0.526 nan 8.270 nan 0.000 0.417 547 K N 0.073 120.440 120.400 -0.054 0.000 2.288 547 K HA -0.122 4.198 4.320 0.001 0.000 0.201 547 K C 1.895 178.508 176.600 0.023 0.000 1.048 547 K CA 0.952 57.231 56.287 -0.012 0.000 0.956 547 K CB -0.136 32.359 32.500 -0.007 0.000 0.746 547 K HN 0.128 nan 8.250 nan 0.000 0.461 548 L N 1.483 122.724 121.223 0.031 0.000 2.093 548 L HA 0.046 4.386 4.340 0.001 0.000 0.208 548 L C 2.388 179.303 176.870 0.074 0.000 1.085 548 L CA 1.745 56.616 54.840 0.051 0.000 0.755 548 L CB -0.598 41.492 42.059 0.051 0.000 0.904 548 L HN 0.268 nan 8.230 nan 0.000 0.435 549 A N -0.945 121.921 122.820 0.077 0.000 1.930 549 A HA -0.183 4.138 4.320 0.001 0.000 0.217 549 A C 2.344 180.018 177.584 0.151 0.000 1.175 549 A CA 2.041 54.139 52.037 0.102 0.000 0.627 549 A CB -1.307 17.748 19.000 0.092 0.000 0.815 549 A HN 0.627 nan 8.150 nan 0.000 0.443 550 T N -1.862 112.759 114.554 0.112 0.000 2.867 550 T HA -0.123 4.228 4.350 0.001 0.000 0.268 550 T C 1.470 176.332 174.700 0.271 0.000 1.057 550 T CA 1.556 63.776 62.100 0.200 0.000 1.136 550 T CB -0.389 68.533 68.868 0.090 0.000 0.874 550 T HN 0.619 nan 8.240 nan 0.000 0.466 551 E N 0.144 120.437 120.200 0.156 0.000 2.358 551 E HA 0.154 4.505 4.350 0.001 0.000 0.195 551 E C 1.635 178.295 176.600 0.101 0.000 1.010 551 E CA 0.376 56.844 56.400 0.113 0.000 0.856 551 E CB 0.020 29.763 29.700 0.072 0.000 0.795 551 E HN 0.333 nan 8.360 nan 0.000 0.504 552 L N -0.567 120.733 121.223 0.128 0.000 2.642 552 L HA 0.047 4.388 4.340 0.001 0.000 0.233 552 L C 1.686 178.609 176.870 0.088 0.000 1.077 552 L CA 0.208 55.104 54.840 0.093 0.000 0.879 552 L CB 0.104 42.218 42.059 0.091 0.000 1.151 552 L HN 0.150 nan 8.230 nan 0.000 0.495 553 Y N -2.850 117.442 120.300 -0.014 0.000 2.497 553 Y HA -0.082 4.469 4.550 0.001 0.000 0.292 553 Y C 2.067 177.915 175.900 -0.086 0.000 1.137 553 Y CA 1.175 59.236 58.100 -0.065 0.000 1.285 553 Y CB -1.037 37.343 38.460 -0.133 0.000 0.991 553 Y HN 0.201 nan 8.280 nan 0.000 0.556 554 H N 0.500 119.252 119.070 -0.530 0.000 2.524 554 H HA 0.055 4.612 4.556 0.001 0.000 0.282 554 H C 0.497 175.746 175.328 -0.131 0.000 1.016 554 H CA 0.776 56.590 56.048 -0.390 0.000 1.270 554 H CB 0.191 29.707 29.762 -0.410 0.000 1.394 554 H HN 0.454 nan 8.280 nan 0.000 0.568 555 Q N 0.965 120.783 119.800 0.030 0.000 2.421 555 Q HA 0.039 4.380 4.340 0.001 0.000 0.255 555 Q C 1.131 177.171 176.000 0.066 0.000 1.013 555 Q CA 0.153 55.984 55.803 0.046 0.000 0.895 555 Q CB 1.254 30.016 28.738 0.040 0.000 1.271 555 Q HN 0.290 nan 8.270 nan 0.000 0.460 556 K N 0.071 120.512 120.400 0.068 0.000 2.284 556 K HA 0.136 4.457 4.320 0.001 0.000 0.198 556 K C 0.253 176.920 176.600 0.113 0.000 1.048 556 K CA 0.417 56.760 56.287 0.093 0.000 0.987 556 K CB 0.616 33.167 32.500 0.086 0.000 0.800 556 K HN 0.351 nan 8.250 nan 0.000 0.486 557 S N -0.135 115.607 115.700 0.071 0.000 2.627 557 S HA 0.496 4.967 4.470 0.001 0.000 0.283 557 S C -1.619 172.982 174.600 0.002 0.000 1.127 557 S CA -0.745 57.472 58.200 0.028 0.000 0.863 557 S CB 2.773 65.959 63.200 -0.022 0.000 1.121 557 S HN -0.049 nan 8.310 nan 0.000 0.479 558 V N 2.589 122.482 119.914 -0.034 0.000 2.823 558 V HA 0.448 4.569 4.120 0.001 0.000 0.296 558 V C -2.026 174.041 176.094 -0.044 0.000 1.250 558 V CA -0.592 61.695 62.300 -0.022 0.000 0.939 558 V CB 1.347 33.175 31.823 0.009 0.000 1.062 558 V HN 0.798 nan 8.190 nan 0.000 0.433 559 L N 7.117 128.318 121.223 -0.037 0.000 2.276 559 L HA 0.600 4.941 4.340 0.001 0.000 0.286 559 L C -0.338 176.526 176.870 -0.010 0.000 1.061 559 L CA -0.383 54.438 54.840 -0.032 0.000 0.807 559 L CB 1.418 43.460 42.059 -0.028 0.000 1.177 559 L HN 0.487 nan 8.230 nan 0.000 0.429 560 I N 4.309 124.878 120.570 -0.001 0.000 2.355 560 I HA 0.400 4.571 4.170 0.001 0.000 0.288 560 I C -0.311 175.825 176.117 0.030 0.000 0.999 560 I CA -0.225 61.081 61.300 0.011 0.000 1.163 560 I CB 1.395 39.400 38.000 0.008 0.000 1.316 560 I HN 0.569 nan 8.210 nan 0.000 0.454 561 M N 5.149 124.768 119.600 0.031 0.000 2.383 561 M HA 0.780 5.261 4.480 0.001 0.000 0.325 561 M C 0.041 176.375 176.300 0.057 0.000 1.092 561 M CA -0.382 54.945 55.300 0.045 0.000 0.961 561 M CB 2.519 35.131 32.600 0.020 0.000 1.672 561 M HN 0.725 nan 8.290 nan 0.000 0.438 562 G N 1.469 110.326 108.800 0.095 0.000 2.523 562 G HA2 0.667 4.628 3.960 0.001 0.000 0.291 562 G HA3 0.667 4.628 3.960 0.001 0.000 0.291 562 G C -2.338 172.648 174.900 0.144 0.000 1.450 562 G CA -0.813 44.359 45.100 0.119 0.000 0.790 562 G HN 0.673 nan 8.290 nan 0.000 0.496 563 R N -0.597 119.989 120.500 0.143 0.000 2.795 563 R HA 0.653 4.994 4.340 0.001 0.000 0.275 563 R C 1.057 177.417 176.300 0.099 0.000 0.981 563 R CA 0.866 57.009 56.100 0.071 0.000 0.917 563 R CB 1.713 32.019 30.300 0.010 0.000 1.202 563 R HN 2.120 nan 8.270 nan 0.000 0.469 564 G N 1.859 110.661 108.800 0.004 0.000 2.629 564 G HA2 -0.437 3.524 3.960 0.001 0.000 0.313 564 G HA3 -0.437 3.524 3.960 0.001 0.000 0.313 564 G C 0.434 175.312 174.900 -0.038 0.000 1.217 564 G CA 0.917 45.972 45.100 -0.075 0.000 0.994 564 G HN 0.674 nan 8.290 nan 0.000 0.549 565 Y N 1.425 121.704 120.300 -0.036 0.000 2.298 565 Y HA -0.051 4.499 4.550 0.001 0.000 0.287 565 Y C 2.768 178.481 175.900 -0.311 0.000 1.164 565 Y CA 2.135 60.115 58.100 -0.200 0.000 1.229 565 Y CB -0.181 38.076 38.460 -0.339 0.000 0.977 565 Y HN 0.547 nan 8.280 nan 0.000 0.538 566 H N -2.618 116.609 119.070 0.263 0.000 2.520 566 H HA 0.007 4.563 4.556 0.001 0.000 0.284 566 H C 1.307 176.744 175.328 0.182 0.000 1.037 566 H CA -0.042 56.124 56.048 0.196 0.000 1.168 566 H CB -0.188 29.663 29.762 0.148 0.000 1.497 566 H HN 0.341 nan 8.280 nan 0.000 0.547 567 Y N 2.387 122.741 120.300 0.090 0.000 2.145 567 Y HA -0.150 4.400 4.550 0.001 0.000 0.286 567 Y C 2.448 178.354 175.900 0.010 0.000 1.145 567 Y CA 1.286 59.410 58.100 0.039 0.000 1.148 567 Y CB -0.462 38.003 38.460 0.008 0.000 0.981 567 Y HN 0.157 nan 8.280 nan 0.000 0.507 568 A N -0.679 122.090 122.820 -0.085 0.000 1.908 568 A HA -0.206 4.114 4.320 0.001 0.000 0.218 568 A C 2.285 179.795 177.584 -0.124 0.000 1.181 568 A CA 2.383 54.308 52.037 -0.187 0.000 0.627 568 A CB -1.408 17.599 19.000 0.012 0.000 0.818 568 A HN 0.506 nan 8.150 nan 0.000 0.445 569 T N -0.644 113.947 114.554 0.061 0.000 2.699 569 T HA -0.226 4.124 4.350 0.001 0.000 0.268 569 T C 1.914 176.599 174.700 -0.025 0.000 1.036 569 T CA 1.729 63.878 62.100 0.081 0.000 1.147 569 T CB -0.695 68.307 68.868 0.224 0.000 0.862 569 T HN 0.615 nan 8.240 nan 0.000 0.446 570 C N 0.783 120.072 119.300 -0.018 0.000 2.453 570 C HA 0.096 4.557 4.460 0.001 0.000 0.277 570 C C 2.715 177.623 174.990 -0.137 0.000 1.262 570 C CA 0.251 59.248 59.018 -0.035 0.000 1.718 570 C CB -1.373 26.395 27.740 0.045 0.000 2.031 570 C HN 0.520 nan 8.230 nan 0.000 0.480 571 L N 0.835 121.879 121.223 -0.299 0.000 2.042 571 L HA -0.168 4.173 4.340 0.001 0.000 0.210 571 L C 2.696 179.255 176.870 -0.518 0.000 1.076 571 L CA 1.804 56.376 54.840 -0.447 0.000 0.749 571 L CB -0.696 40.911 42.059 -0.752 0.000 0.893 571 L HN 0.340 nan 8.230 nan 0.000 0.432 572 E N 0.554 120.411 120.200 -0.573 0.000 2.072 572 E HA -0.113 4.237 4.350 0.001 0.000 0.190 572 E C 2.106 178.610 176.600 -0.160 0.000 0.982 572 E CA 1.354 57.546 56.400 -0.346 0.000 0.803 572 E CB -0.356 29.061 29.700 -0.472 0.000 0.755 572 E HN 0.283 nan 8.360 nan 0.000 0.453 573 G N 0.356 109.076 108.800 -0.133 0.000 2.422 573 G HA2 -0.215 3.746 3.960 0.001 0.000 0.218 573 G HA3 -0.215 3.746 3.960 0.001 0.000 0.218 573 G C 1.711 176.593 174.900 -0.030 0.000 1.146 573 G CA 1.001 46.063 45.100 -0.062 0.000 0.769 573 G HN 0.439 nan 8.290 nan 0.000 0.547 574 A N 0.250 123.050 122.820 -0.034 0.000 1.933 574 A HA 0.075 4.395 4.320 0.001 0.000 0.218 574 A C 2.302 179.907 177.584 0.036 0.000 1.175 574 A CA 1.605 53.644 52.037 0.004 0.000 0.628 574 A CB -0.329 18.672 19.000 0.002 0.000 0.814 574 A HN 0.411 nan 8.150 nan 0.000 0.444 575 L N -0.750 120.500 121.223 0.046 0.000 2.179 575 L HA -0.003 4.337 4.340 0.001 0.000 0.208 575 L C 2.054 178.950 176.870 0.043 0.000 1.096 575 L CA 1.706 56.595 54.840 0.081 0.000 0.779 575 L CB -0.481 41.681 42.059 0.171 0.000 0.922 575 L HN 0.132 nan 8.230 nan 0.000 0.443 576 K N -0.075 120.334 120.400 0.015 0.000 2.026 576 K HA -0.088 4.232 4.320 0.001 0.000 0.208 576 K C 2.149 178.752 176.600 0.005 0.000 1.048 576 K CA 1.846 58.135 56.287 0.002 0.000 0.929 576 K CB -0.440 32.052 32.500 -0.014 0.000 0.713 576 K HN 0.390 nan 8.250 nan 0.000 0.439 577 I N 0.964 121.544 120.570 0.015 0.000 2.286 577 I HA -0.244 3.927 4.170 0.001 0.000 0.245 577 I C 2.345 178.477 176.117 0.026 0.000 1.104 577 I CA 1.077 62.389 61.300 0.020 0.000 1.397 577 I CB -0.140 37.881 38.000 0.035 0.000 1.072 577 I HN 0.121 nan 8.210 nan 0.000 0.417 578 K N 0.589 121.022 120.400 0.055 0.000 2.009 578 K HA -0.267 4.054 4.320 0.001 0.000 0.210 578 K C 2.116 178.757 176.600 0.068 0.000 1.049 578 K CA 1.858 58.196 56.287 0.085 0.000 0.929 578 K CB -0.222 32.336 32.500 0.097 0.000 0.714 578 K HN 0.305 nan 8.250 nan 0.000 0.440 579 E N 0.766 120.987 120.200 0.036 0.000 2.072 579 E HA -0.174 4.177 4.350 0.001 0.000 0.191 579 E C 1.900 178.468 176.600 -0.054 0.000 0.985 579 E CA 1.441 57.861 56.400 0.033 0.000 0.801 579 E CB 0.091 29.806 29.700 0.025 0.000 0.750 579 E HN 0.462 nan 8.360 nan 0.000 0.452 580 I N -3.040 117.433 120.570 -0.160 0.000 4.139 580 I HA 0.173 4.344 4.170 0.001 0.000 0.320 580 I C 2.083 177.847 176.117 -0.588 0.000 1.290 580 I CA 0.619 61.732 61.300 -0.311 0.000 1.253 580 I CB 0.460 38.395 38.000 -0.107 0.000 1.122 580 I HN -0.049 nan 8.210 nan 0.000 0.421 581 T N -3.081 111.220 114.554 -0.421 0.000 3.015 581 T HA 0.101 4.452 4.350 0.001 0.000 0.250 581 T C 0.840 175.351 174.700 -0.315 0.000 1.057 581 T CA 0.587 62.512 62.100 -0.292 0.000 1.066 581 T CB -0.308 68.541 68.868 -0.032 0.000 0.959 581 T HN 0.408 nan 8.240 nan 0.000 0.488 582 Y N -0.735 119.546 120.300 -0.032 0.000 4.907 582 Y HA -0.192 4.359 4.550 0.001 0.000 0.246 582 Y C 0.476 176.395 175.900 0.032 0.000 0.968 582 Y CA 0.016 58.092 58.100 -0.040 0.000 1.961 582 Y CB -2.805 35.579 38.460 -0.127 0.000 1.487 582 Y HN 0.496 nan 8.280 nan 0.000 0.575 583 M N 1.208 120.905 119.600 0.162 0.000 2.242 583 M HA 0.148 4.628 4.480 0.001 0.000 0.344 583 M C 0.886 177.301 176.300 0.190 0.000 1.140 583 M CA -0.026 55.370 55.300 0.160 0.000 1.160 583 M CB 0.487 33.161 32.600 0.123 0.000 1.491 583 M HN 0.379 nan 8.290 nan 0.000 0.459 584 H N 3.793 122.903 119.070 0.067 0.000 3.092 584 H HA 0.224 4.780 4.556 0.001 0.000 0.263 584 H C -0.585 174.771 175.328 0.046 0.000 1.611 584 H CA -0.640 55.440 56.048 0.053 0.000 1.457 584 H CB 0.144 29.933 29.762 0.046 0.000 1.731 584 H HN 0.704 nan 8.280 nan 0.000 0.532 585 S N 3.275 119.039 115.700 0.107 0.000 2.616 585 S HA 0.306 4.776 4.470 0.001 0.000 0.277 585 S C -0.168 174.428 174.600 -0.006 0.000 1.234 585 S CA -0.959 57.245 58.200 0.006 0.000 1.028 585 S CB 2.759 65.981 63.200 0.036 0.000 0.988 585 S HN 0.792 nan 8.310 nan 0.000 0.522 586 E N 0.468 120.638 120.200 -0.049 0.000 2.321 586 E HA 0.476 4.827 4.350 0.001 0.000 0.278 586 E C -0.485 176.116 176.600 0.002 0.000 0.902 586 E CA -0.857 55.534 56.400 -0.015 0.000 0.758 586 E CB 1.541 31.207 29.700 -0.057 0.000 1.213 586 E HN 0.915 nan 8.360 nan 0.000 0.426 587 G N 4.229 113.042 108.800 0.022 0.000 2.370 587 G HA2 0.479 4.440 3.960 0.001 0.000 0.272 587 G HA3 0.479 4.440 3.960 0.001 0.000 0.272 587 G C -0.376 174.585 174.900 0.101 0.000 1.208 587 G CA -0.305 44.817 45.100 0.037 0.000 0.856 587 G HN 0.368 nan 8.290 nan 0.000 0.500 588 I N 2.766 123.409 120.570 0.121 0.000 2.466 588 I HA 0.187 4.358 4.170 0.001 0.000 0.289 588 I C -0.325 175.883 176.117 0.152 0.000 1.026 588 I CA -1.151 60.226 61.300 0.128 0.000 1.078 588 I CB 1.658 39.695 38.000 0.062 0.000 1.249 588 I HN 0.308 nan 8.210 nan 0.000 0.429 589 L N 6.108 127.406 121.223 0.125 0.000 2.500 589 L HA 0.222 4.563 4.340 0.001 0.000 0.272 589 L C 1.500 178.354 176.870 -0.026 0.000 1.149 589 L CA 0.563 55.369 54.840 -0.057 0.000 0.897 589 L CB 0.945 42.798 42.059 -0.343 0.000 1.178 589 L HN 0.814 nan 8.230 nan 0.000 0.473 590 A N 4.510 127.323 122.820 -0.011 0.000 1.917 590 A HA -0.150 4.170 4.320 0.001 0.000 0.219 590 A C 1.964 179.534 177.584 -0.023 0.000 1.182 590 A CA 1.787 53.817 52.037 -0.011 0.000 0.633 590 A CB -1.301 17.694 19.000 -0.010 0.000 0.819 590 A HN 0.946 nan 8.150 nan 0.000 0.448 591 G N -1.303 107.476 108.800 -0.036 0.000 2.509 591 G HA2 -0.085 3.875 3.960 0.001 0.000 0.218 591 G HA3 -0.085 3.875 3.960 0.001 0.000 0.218 591 G C 1.204 176.139 174.900 0.057 0.000 1.124 591 G CA 0.733 45.827 45.100 -0.010 0.000 0.776 591 G HN 0.500 nan 8.290 nan 0.000 0.547 592 E N -0.096 120.137 120.200 0.055 0.000 2.479 592 E HA 0.184 4.535 4.350 0.001 0.000 0.193 592 E C 2.361 179.019 176.600 0.097 0.000 1.049 592 E CA -0.264 56.228 56.400 0.154 0.000 0.870 592 E CB 0.215 29.955 29.700 0.068 0.000 0.944 592 E HN 0.415 nan 8.360 nan 0.000 0.492 593 L N 1.196 122.428 121.223 0.014 0.000 1.989 593 L HA -0.219 4.121 4.340 0.001 0.000 0.211 593 L C 2.362 179.196 176.870 -0.060 0.000 1.071 593 L CA 1.760 56.590 54.840 -0.016 0.000 0.749 593 L CB -0.408 41.632 42.059 -0.031 0.000 0.890 593 L HN 0.114 nan 8.230 nan 0.000 0.431 594 K N -1.237 119.065 120.400 -0.163 0.000 2.574 594 K HA -0.132 4.188 4.320 0.001 0.000 0.193 594 K C 0.780 177.170 176.600 -0.349 0.000 1.035 594 K CA 1.015 57.146 56.287 -0.260 0.000 0.982 594 K CB -0.206 32.100 32.500 -0.323 0.000 0.795 594 K HN 0.466 nan 8.250 nan 0.000 0.491 595 H N -0.577 118.488 119.070 -0.009 0.000 2.528 595 H HA 0.217 4.773 4.556 0.001 0.000 0.282 595 H C 0.949 176.276 175.328 -0.002 0.000 1.097 595 H CA 0.556 56.600 56.048 -0.006 0.000 1.121 595 H CB 1.498 31.255 29.762 -0.008 0.000 1.590 595 H HN 0.584 nan 8.280 nan 0.000 0.553 596 G N 0.931 109.771 108.800 0.065 0.000 3.898 596 G HA2 -0.185 3.775 3.960 0.001 0.000 0.196 596 G HA3 -0.185 3.775 3.960 0.001 0.000 0.196 596 G C -1.323 173.594 174.900 0.028 0.000 1.322 596 G CA -0.300 44.828 45.100 0.047 0.000 0.942 596 G HN 0.164 nan 8.290 nan 0.000 0.400 597 P HA 0.079 nan 4.420 nan 0.000 0.220 597 P C 1.976 179.279 177.300 0.005 0.000 1.148 597 P CA 0.697 63.809 63.100 0.020 0.000 0.803 597 P CB -0.015 31.701 31.700 0.026 0.000 0.782 598 L N -0.149 121.072 121.223 -0.004 0.000 2.187 598 L HA -0.130 4.210 4.340 0.001 0.000 0.213 598 L C 2.075 178.940 176.870 -0.010 0.000 1.100 598 L CA 1.657 56.489 54.840 -0.014 0.000 0.765 598 L CB -1.290 40.752 42.059 -0.029 0.000 0.904 598 L HN -0.095 nan 8.230 nan 0.000 0.437 599 A N -1.409 121.409 122.820 -0.004 0.000 2.172 599 A HA -0.121 4.200 4.320 0.001 0.000 0.216 599 A C 2.046 179.631 177.584 0.000 0.000 1.154 599 A CA 1.277 53.313 52.037 -0.001 0.000 0.701 599 A CB -0.614 18.388 19.000 0.004 0.000 0.789 599 A HN 0.406 nan 8.150 nan 0.000 0.465 600 L N -0.623 120.600 121.223 -0.000 0.000 2.558 600 L HA 0.157 4.497 4.340 0.001 0.000 0.225 600 L C 0.449 177.316 176.870 -0.005 0.000 1.128 600 L CA 0.650 55.489 54.840 -0.001 0.000 0.868 600 L CB 0.181 42.238 42.059 -0.003 0.000 1.006 600 L HN 0.099 nan 8.230 nan 0.000 0.454 601 V N 1.480 121.390 119.914 -0.007 0.000 2.461 601 V HA 0.388 4.508 4.120 0.001 0.000 0.275 601 V C -0.303 175.787 176.094 -0.007 0.000 1.047 601 V CA -0.285 62.010 62.300 -0.008 0.000 0.955 601 V CB 0.994 32.810 31.823 -0.011 0.000 0.988 601 V HN 0.500 nan 8.190 nan 0.000 0.471 602 D N 2.574 122.971 120.400 -0.006 0.000 2.946 602 D HA 0.267 4.907 4.640 0.001 0.000 0.337 602 D C 0.452 176.750 176.300 -0.004 0.000 1.332 602 D CA -0.786 53.211 54.000 -0.005 0.000 0.935 602 D CB 0.755 41.553 40.800 -0.003 0.000 1.440 602 D HN 0.193 nan 8.370 nan 0.000 0.540 603 K N -0.419 119.978 120.400 -0.004 0.000 2.152 603 K HA 0.011 4.332 4.320 0.001 0.000 0.206 603 K C 1.679 178.278 176.600 -0.002 0.000 1.048 603 K CA 1.444 57.729 56.287 -0.003 0.000 0.933 603 K CB -0.350 32.148 32.500 -0.004 0.000 0.721 603 K HN 0.311 nan 8.250 nan 0.000 0.447 604 L N -0.262 120.960 121.223 -0.002 0.000 2.416 604 L HA 0.172 4.513 4.340 0.001 0.000 0.216 604 L C 0.826 177.696 176.870 0.001 0.000 1.098 604 L CA -0.345 54.495 54.840 -0.000 0.000 0.840 604 L CB -0.032 42.027 42.059 0.000 0.000 0.981 604 L HN 0.196 nan 8.230 nan 0.000 0.462 605 M N 1.985 121.584 119.600 -0.001 0.000 2.105 605 M HA 0.347 4.828 4.480 0.001 0.000 0.350 605 M C -2.448 173.851 176.300 -0.002 0.000 1.308 605 M CA -2.287 53.012 55.300 -0.003 0.000 1.108 605 M CB 0.497 33.093 32.600 -0.008 0.000 1.622 605 M HN -0.285 nan 8.290 nan 0.000 0.468 606 P HA 0.291 nan 4.420 nan 0.000 0.271 606 P C -1.368 175.931 177.300 -0.002 0.000 1.216 606 P CA -0.371 62.731 63.100 0.004 0.000 0.776 606 P CB 0.710 32.417 31.700 0.013 0.000 0.881 607 V N 4.142 124.056 119.914 0.000 0.000 2.686 607 V HA 0.415 4.536 4.120 0.001 0.000 0.306 607 V C -0.167 175.927 176.094 0.000 0.000 1.065 607 V CA -0.454 61.844 62.300 -0.003 0.000 0.894 607 V CB 2.032 33.851 31.823 -0.007 0.000 1.004 607 V HN 0.375 nan 8.190 nan 0.000 0.424 608 I N 4.910 125.481 120.570 0.001 0.000 2.389 608 I HA 0.502 4.673 4.170 0.001 0.000 0.288 608 I C -0.275 175.840 176.117 -0.002 0.000 0.999 608 I CA -0.286 61.015 61.300 0.002 0.000 1.129 608 I CB 1.657 39.662 38.000 0.008 0.000 1.288 608 I HN 0.397 nan 8.210 nan 0.000 0.444 609 M N 6.447 126.040 119.600 -0.011 0.000 2.472 609 M HA 0.556 5.037 4.480 0.001 0.000 0.331 609 M C -0.727 175.555 176.300 -0.030 0.000 1.170 609 M CA -0.681 54.608 55.300 -0.018 0.000 1.009 609 M CB 2.618 35.199 32.600 -0.031 0.000 1.672 609 M HN 0.407 nan 8.290 nan 0.000 0.453 610 I N 4.254 124.804 120.570 -0.033 0.000 2.355 610 I HA 0.340 4.511 4.170 0.001 0.000 0.288 610 I C -0.712 175.343 176.117 -0.104 0.000 0.999 610 I CA -0.464 60.789 61.300 -0.078 0.000 1.163 610 I CB 1.037 38.999 38.000 -0.065 0.000 1.316 610 I HN 0.433 nan 8.210 nan 0.000 0.454 611 I N 6.933 127.430 120.570 -0.122 0.000 2.563 611 I HA 0.381 4.552 4.170 0.001 0.000 0.276 611 I C -0.330 175.752 176.117 -0.059 0.000 1.074 611 I CA -0.351 60.879 61.300 -0.117 0.000 1.124 611 I CB 0.805 38.709 38.000 -0.160 0.000 1.225 611 I HN 0.482 nan 8.210 nan 0.000 0.482 612 M N 3.549 123.128 119.600 -0.035 0.000 2.573 612 M HA 0.442 4.923 4.480 0.001 0.000 0.309 612 M C 0.557 177.017 176.300 0.267 0.000 1.202 612 M CA -0.648 54.695 55.300 0.071 0.000 0.975 612 M CB 1.265 33.851 32.600 -0.023 0.000 1.600 612 M HN 0.325 nan 8.290 nan 0.000 0.479 613 R N 1.978 122.653 120.500 0.291 0.000 2.878 613 R HA 0.123 4.463 4.340 0.001 0.000 0.239 613 R C -0.856 175.608 176.300 0.274 0.000 1.515 613 R CA -0.002 56.253 56.100 0.258 0.000 1.210 613 R CB -0.529 29.825 30.300 0.091 0.000 1.209 613 R HN 0.625 nan 8.270 nan 0.000 0.610 614 D N -2.093 118.475 120.400 0.279 0.000 2.732 614 D HA -0.011 4.630 4.640 0.001 0.000 0.292 614 D C 0.757 177.194 176.300 0.230 0.000 1.135 614 D CA -0.816 53.348 54.000 0.273 0.000 1.071 614 D CB 0.161 41.160 40.800 0.332 0.000 1.457 614 D HN 0.315 nan 8.370 nan 0.000 0.547 615 H N -2.681 116.509 119.070 0.200 0.000 2.543 615 H HA 0.019 4.576 4.556 0.001 0.000 0.286 615 H C 1.073 176.488 175.328 0.145 0.000 1.037 615 H CA 1.593 57.729 56.048 0.147 0.000 1.250 615 H CB -0.426 29.406 29.762 0.117 0.000 1.373 615 H HN 0.383 nan 8.280 nan 0.000 0.580 616 T N -3.507 110.857 114.554 -0.317 0.000 3.163 616 T HA -0.036 4.315 4.350 0.001 0.000 0.252 616 T C 1.408 176.116 174.700 0.012 0.000 1.056 616 T CA -0.324 61.660 62.100 -0.193 0.000 0.947 616 T CB -0.718 67.996 68.868 -0.258 0.000 1.016 616 T HN 0.499 nan 8.240 nan 0.000 0.554 617 Y N 2.521 122.807 120.300 -0.023 0.000 2.070 617 Y HA -0.067 4.484 4.550 0.002 0.000 0.280 617 Y C 2.687 178.587 175.900 0.001 0.000 1.148 617 Y CA 1.912 60.015 58.100 0.005 0.000 1.125 617 Y CB -0.787 37.687 38.460 0.024 0.000 0.975 617 Y HN 0.345 nan 8.280 nan 0.000 0.492 618 A N 0.056 123.000 122.820 0.207 0.000 1.940 618 A HA -0.223 4.098 4.320 0.001 0.000 0.219 618 A C 2.145 179.731 177.584 0.003 0.000 1.176 618 A CA 2.062 54.163 52.037 0.106 0.000 0.631 618 A CB -0.586 18.490 19.000 0.126 0.000 0.814 618 A HN 0.570 nan 8.150 nan 0.000 0.446 619 K N -1.032 119.367 120.400 -0.001 0.000 2.097 619 K HA -0.086 4.235 4.320 0.001 0.000 0.205 619 K C 1.999 178.564 176.600 -0.057 0.000 1.050 619 K CA 1.271 57.543 56.287 -0.024 0.000 0.938 619 K CB -0.386 32.102 32.500 -0.020 0.000 0.718 619 K HN 0.553 nan 8.250 nan 0.000 0.442 620 C N 1.103 120.349 119.300 -0.090 0.000 2.466 620 C HA -0.045 4.416 4.460 0.001 0.000 0.278 620 C C 2.647 177.544 174.990 -0.154 0.000 1.288 620 C CA 0.416 59.362 59.018 -0.120 0.000 1.722 620 C CB -0.474 27.177 27.740 -0.149 0.000 2.017 620 C HN 0.472 nan 8.230 nan 0.000 0.488 621 Q N 0.935 120.604 119.800 -0.218 0.000 2.084 621 Q HA -0.190 4.151 4.340 0.001 0.000 0.202 621 Q C 1.798 177.738 176.000 -0.099 0.000 0.978 621 Q CA 1.749 57.438 55.803 -0.190 0.000 0.844 621 Q CB -0.931 27.685 28.738 -0.204 0.000 0.898 621 Q HN 0.814 nan 8.270 nan 0.000 0.426 622 N N 0.478 119.134 118.700 -0.072 0.000 2.094 622 N HA -0.207 4.534 4.740 0.001 0.000 0.191 622 N C 1.645 177.123 175.510 -0.053 0.000 1.023 622 N CA 1.902 54.922 53.050 -0.049 0.000 0.857 622 N CB -0.108 38.357 38.487 -0.037 0.000 1.013 622 N HN 0.254 nan 8.380 nan 0.000 0.426 623 A N -0.017 122.767 122.820 -0.060 0.000 1.969 623 A HA -0.054 4.266 4.320 0.001 0.000 0.218 623 A C 2.081 179.634 177.584 -0.052 0.000 1.169 623 A CA 1.009 53.014 52.037 -0.053 0.000 0.635 623 A CB -0.696 18.274 19.000 -0.050 0.000 0.810 623 A HN 0.421 nan 8.150 nan 0.000 0.445 624 L N -0.299 120.885 121.223 -0.064 0.000 2.109 624 L HA -0.113 4.228 4.340 0.001 0.000 0.207 624 L C 2.340 179.184 176.870 -0.045 0.000 1.086 624 L CA 2.036 56.841 54.840 -0.058 0.000 0.760 624 L CB -0.654 41.359 42.059 -0.076 0.000 0.910 624 L HN 0.478 nan 8.230 nan 0.000 0.437 625 Q N -0.607 119.166 119.800 -0.045 0.000 2.084 625 Q HA -0.240 4.101 4.340 0.001 0.000 0.202 625 Q C 1.997 177.979 176.000 -0.030 0.000 0.978 625 Q CA 1.942 57.725 55.803 -0.033 0.000 0.844 625 Q CB -0.192 28.528 28.738 -0.031 0.000 0.898 625 Q HN 0.760 nan 8.270 nan 0.000 0.426 626 Q N -0.512 119.268 119.800 -0.034 0.000 2.451 626 Q HA 0.003 4.344 4.340 0.001 0.000 0.206 626 Q C 1.570 177.553 176.000 -0.028 0.000 0.947 626 Q CA 0.709 56.493 55.803 -0.032 0.000 0.937 626 Q CB 0.255 28.969 28.738 -0.039 0.000 1.025 626 Q HN 0.150 nan 8.270 nan 0.000 0.511 627 V N 1.372 121.270 119.914 -0.028 0.000 2.426 627 V HA -0.150 3.971 4.120 0.001 0.000 0.242 627 V C 2.369 178.452 176.094 -0.019 0.000 1.036 627 V CA 1.352 63.639 62.300 -0.023 0.000 1.044 627 V CB 0.347 32.156 31.823 -0.023 0.000 0.688 627 V HN 0.480 nan 8.190 nan 0.000 0.462 628 V N -0.794 119.108 119.914 -0.020 0.000 2.626 628 V HA -0.024 4.096 4.120 0.001 0.000 0.252 628 V C 2.315 178.400 176.094 -0.014 0.000 1.067 628 V CA 1.733 64.023 62.300 -0.016 0.000 1.081 628 V CB -1.179 30.634 31.823 -0.016 0.000 0.686 628 V HN 0.358 nan 8.190 nan 0.000 0.468 629 A N 0.546 123.356 122.820 -0.016 0.000 2.119 629 A HA 0.085 4.406 4.320 0.001 0.000 0.217 629 A C 2.116 179.692 177.584 -0.013 0.000 1.153 629 A CA 0.869 52.897 52.037 -0.015 0.000 0.692 629 A CB -0.366 18.624 19.000 -0.017 0.000 0.799 629 A HN 0.618 nan 8.150 nan 0.000 0.458 630 R N -1.292 119.200 120.500 -0.014 0.000 2.694 630 R HA 0.264 4.605 4.340 0.001 0.000 0.334 630 R C 0.063 176.358 176.300 -0.010 0.000 1.143 630 R CA 0.145 56.238 56.100 -0.012 0.000 1.073 630 R CB -0.034 30.258 30.300 -0.013 0.000 1.366 630 R HN 0.609 nan 8.270 nan 0.000 0.577 631 Q N -0.729 119.065 119.800 -0.009 0.000 2.424 631 Q HA -0.127 4.214 4.340 0.001 0.000 0.234 631 Q C -0.026 175.970 176.000 -0.007 0.000 0.748 631 Q CA 0.546 56.344 55.803 -0.007 0.000 1.286 631 Q CB -0.911 27.823 28.738 -0.006 0.000 1.494 631 Q HN 0.626 nan 8.270 nan 0.000 0.683 632 G N 0.550 109.344 108.800 -0.009 0.000 2.442 632 G HA2 0.401 4.361 3.960 0.001 0.000 0.249 632 G HA3 0.401 4.361 3.960 0.001 0.000 0.249 632 G C -0.369 174.526 174.900 -0.008 0.000 1.263 632 G CA -0.381 44.714 45.100 -0.008 0.000 0.846 632 G HN 0.201 nan 8.290 nan 0.000 0.555 633 R N 2.632 123.129 120.500 -0.005 0.000 2.664 633 R HA 0.239 4.580 4.340 0.001 0.000 0.281 633 R C -2.267 174.032 176.300 -0.002 0.000 1.383 633 R CA -1.185 54.913 56.100 -0.003 0.000 1.563 633 R CB 1.418 31.717 30.300 -0.001 0.000 1.131 633 R HN 0.460 nan 8.270 nan 0.000 0.599 634 P HA 0.115 nan 4.420 nan 0.000 0.278 634 P C -0.113 177.185 177.300 -0.003 0.000 1.238 634 P CA -0.363 62.733 63.100 -0.006 0.000 0.794 634 P CB 1.380 33.072 31.700 -0.012 0.000 0.955 635 V N 3.063 122.978 119.914 0.001 0.000 2.488 635 V HA 0.092 4.213 4.120 0.001 0.000 0.277 635 V C 0.555 176.647 176.094 -0.004 0.000 1.046 635 V CA -0.261 62.041 62.300 0.003 0.000 0.986 635 V CB 1.161 32.991 31.823 0.012 0.000 0.989 635 V HN 0.270 nan 8.190 nan 0.000 0.475 636 V N 6.893 126.802 119.914 -0.008 0.000 2.347 636 V HA 0.419 4.540 4.120 0.001 0.000 0.280 636 V C 0.083 176.166 176.094 -0.018 0.000 1.021 636 V CA -0.427 61.861 62.300 -0.019 0.000 0.847 636 V CB 1.522 33.330 31.823 -0.026 0.000 0.990 636 V HN 0.653 nan 8.190 nan 0.000 0.444 637 I N 5.941 126.495 120.570 -0.027 0.000 2.352 637 I HA 0.477 4.648 4.170 0.001 0.000 0.290 637 I C 0.329 176.417 176.117 -0.048 0.000 1.036 637 I CA 0.066 61.347 61.300 -0.032 0.000 1.336 637 I CB 0.530 38.507 38.000 -0.039 0.000 1.407 637 I HN 0.852 nan 8.210 nan 0.000 0.497 638 C N 2.972 122.257 119.300 -0.025 0.000 3.332 638 C HA 0.450 4.911 4.460 0.001 0.000 0.329 638 C C -0.519 174.485 174.990 0.023 0.000 1.434 638 C CA -1.049 57.965 59.018 -0.006 0.000 1.314 638 C CB 1.635 29.381 27.740 0.010 0.000 1.664 638 C HN 0.704 nan 8.230 nan 0.000 0.457 639 D N 0.985 121.423 120.400 0.062 0.000 2.425 639 D HA 0.134 4.775 4.640 0.001 0.000 0.247 639 D C 1.164 177.499 176.300 0.059 0.000 1.147 639 D CA 0.191 54.241 54.000 0.083 0.000 0.879 639 D CB 1.246 42.121 40.800 0.125 0.000 1.179 639 D HN 0.783 nan 8.370 nan 0.000 0.456 640 K N 2.365 122.794 120.400 0.049 0.000 2.362 640 K HA -0.099 4.222 4.320 0.001 0.000 0.200 640 K C 0.663 177.279 176.600 0.026 0.000 1.046 640 K CA 1.156 57.463 56.287 0.033 0.000 0.952 640 K CB 0.137 32.653 32.500 0.027 0.000 0.753 640 K HN 0.354 nan 8.250 nan 0.000 0.466 641 E N 1.090 121.304 120.200 0.024 0.000 2.499 641 E HA 0.008 4.359 4.350 0.001 0.000 0.199 641 E C -0.729 175.875 176.600 0.006 0.000 1.016 641 E CA -0.237 56.166 56.400 0.006 0.000 0.933 641 E CB 0.442 30.133 29.700 -0.014 0.000 1.050 641 E HN 0.219 nan 8.360 nan 0.000 0.462 642 D N 1.216 121.636 120.400 0.034 0.000 2.517 642 D HA -0.013 4.628 4.640 0.001 0.000 0.220 642 D C 1.119 177.453 176.300 0.056 0.000 1.158 642 D CA 0.030 54.068 54.000 0.063 0.000 0.992 642 D CB 0.498 41.377 40.800 0.132 0.000 1.058 642 D HN 0.056 nan 8.370 nan 0.000 0.516 643 T N 0.019 114.594 114.554 0.034 0.000 2.881 643 T HA -0.137 4.213 4.350 0.001 0.000 0.270 643 T C 1.458 176.179 174.700 0.036 0.000 1.068 643 T CA 0.874 62.991 62.100 0.027 0.000 1.131 643 T CB -0.025 68.851 68.868 0.014 0.000 0.871 643 T HN 0.367 nan 8.240 nan 0.000 0.479 644 E N 0.815 121.048 120.200 0.054 0.000 2.112 644 E HA -0.041 4.310 4.350 0.001 0.000 0.190 644 E C 2.283 178.915 176.600 0.053 0.000 0.979 644 E CA 1.292 57.726 56.400 0.057 0.000 0.814 644 E CB -0.164 29.584 29.700 0.080 0.000 0.762 644 E HN 0.509 nan 8.360 nan 0.000 0.460 645 T N 1.175 115.769 114.554 0.068 0.000 2.942 645 T HA -0.010 4.341 4.350 0.001 0.000 0.265 645 T C 1.947 176.660 174.700 0.022 0.000 1.062 645 T CA 0.541 62.662 62.100 0.034 0.000 1.139 645 T CB -0.003 68.883 68.868 0.030 0.000 0.883 645 T HN 0.075 nan 8.240 nan 0.000 0.468 646 I N 0.720 121.307 120.570 0.029 0.000 2.286 646 I HA -0.101 4.069 4.170 0.001 0.000 0.245 646 I C 2.531 178.657 176.117 0.016 0.000 1.104 646 I CA 1.165 62.477 61.300 0.020 0.000 1.397 646 I CB -0.140 37.873 38.000 0.022 0.000 1.072 646 I HN 0.130 nan 8.210 nan 0.000 0.417 647 K N 0.925 121.336 120.400 0.017 0.000 2.062 647 K HA -0.058 4.262 4.320 0.001 0.000 0.205 647 K C 1.589 178.196 176.600 0.011 0.000 1.051 647 K CA 1.175 57.470 56.287 0.013 0.000 0.941 647 K CB 0.057 32.566 32.500 0.014 0.000 0.719 647 K HN 0.281 nan 8.250 nan 0.000 0.440 648 N N 0.168 118.875 118.700 0.011 0.000 2.461 648 N HA -0.011 4.730 4.740 0.001 0.000 0.188 648 N C -0.639 174.872 175.510 0.001 0.000 1.134 648 N CA 0.521 53.574 53.050 0.006 0.000 0.878 648 N CB 0.655 39.146 38.487 0.007 0.000 0.972 648 N HN 0.099 nan 8.380 nan 0.000 0.456 649 T N -0.172 114.383 114.554 0.002 0.000 2.886 649 T HA 0.169 4.520 4.350 0.001 0.000 0.292 649 T C 0.926 175.627 174.700 0.003 0.000 1.012 649 T CA -0.704 61.396 62.100 -0.001 0.000 0.982 649 T CB 3.317 72.182 68.868 -0.005 0.000 1.018 649 T HN -0.057 nan 8.240 nan 0.000 0.451 650 K N 2.269 122.670 120.400 0.003 0.000 1.965 650 K HA 0.096 4.417 4.320 0.001 0.000 0.214 650 K C 0.334 176.938 176.600 0.007 0.000 1.042 650 K CA 0.949 57.239 56.287 0.005 0.000 0.950 650 K CB 0.167 32.670 32.500 0.005 0.000 0.733 650 K HN 0.377 nan 8.250 nan 0.000 0.441 651 R N 1.734 122.239 120.500 0.008 0.000 2.196 651 R HA 0.130 4.471 4.340 0.001 0.000 0.340 651 R C -0.801 175.504 176.300 0.008 0.000 1.043 651 R CA -0.147 55.959 56.100 0.010 0.000 0.883 651 R CB 1.410 31.718 30.300 0.014 0.000 1.078 651 R HN 0.399 nan 8.270 nan 0.000 0.462 652 T N -0.088 114.471 114.554 0.009 0.000 2.893 652 T HA 0.534 4.885 4.350 0.001 0.000 0.291 652 T C 0.020 174.726 174.700 0.010 0.000 1.028 652 T CA -0.833 61.272 62.100 0.007 0.000 0.995 652 T CB 1.398 70.269 68.868 0.007 0.000 1.051 652 T HN 0.310 nan 8.240 nan 0.000 0.470 653 I N 2.286 122.860 120.570 0.008 0.000 2.307 653 I HA 0.317 4.487 4.170 0.001 0.000 0.289 653 I C 0.005 176.126 176.117 0.007 0.000 1.021 653 I CA -0.826 60.480 61.300 0.010 0.000 1.224 653 I CB 1.141 39.147 38.000 0.010 0.000 1.376 653 I HN 0.522 nan 8.210 nan 0.000 0.470 654 K N 5.792 126.199 120.400 0.011 0.000 2.231 654 K HA 0.387 4.707 4.320 0.001 0.000 0.275 654 K C -0.686 175.921 176.600 0.013 0.000 1.105 654 K CA -0.278 56.017 56.287 0.014 0.000 0.931 654 K CB 0.983 33.493 32.500 0.016 0.000 1.296 654 K HN 0.306 nan 8.250 nan 0.000 0.446 655 V N 5.369 125.289 119.914 0.011 0.000 2.509 655 V HA 0.253 4.374 4.120 0.001 0.000 0.284 655 V C -1.823 174.285 176.094 0.023 0.000 1.047 655 V CA -2.129 60.174 62.300 0.006 0.000 0.952 655 V CB 1.258 33.076 31.823 -0.008 0.000 0.988 655 V HN 0.635 nan 8.190 nan 0.000 0.469 656 P HA 0.091 nan 4.420 nan 0.000 0.272 656 P C -0.927 176.407 177.300 0.057 0.000 1.230 656 P CA -0.086 63.037 63.100 0.038 0.000 0.788 656 P CB 0.441 32.150 31.700 0.015 0.000 0.949 657 H N 0.544 119.613 119.070 -0.002 0.000 2.548 657 H HA 0.456 5.013 4.556 0.001 0.000 0.331 657 H C 0.196 175.522 175.328 -0.003 0.000 1.093 657 H CA 0.214 56.264 56.048 0.004 0.000 1.367 657 H CB 0.658 30.424 29.762 0.007 0.000 1.455 657 H HN 0.476 nan 8.280 nan 0.000 0.519 658 S N 2.724 118.058 115.700 -0.610 0.000 2.911 658 S HA 0.468 4.939 4.470 0.001 0.000 0.319 658 S C -0.881 173.364 174.600 -0.592 0.000 1.154 658 S CA -0.782 57.162 58.200 -0.426 0.000 0.857 658 S CB 0.535 63.611 63.200 -0.206 0.000 1.279 658 S HN 0.443 nan 8.310 nan 0.000 0.593 659 V N 3.008 122.770 119.914 -0.252 0.000 2.763 659 V HA 0.067 4.187 4.120 0.001 0.000 0.306 659 V C 1.605 177.570 176.094 -0.215 0.000 1.059 659 V CA 0.656 62.861 62.300 -0.159 0.000 1.138 659 V CB 0.064 31.846 31.823 -0.069 0.000 0.940 659 V HN 1.062 nan 8.190 nan 0.000 0.489 660 D N 3.044 123.342 120.400 -0.170 0.000 2.172 660 D HA -0.231 4.410 4.640 0.001 0.000 0.196 660 D C 1.719 177.522 176.300 -0.828 0.000 0.999 660 D CA 2.137 55.966 54.000 -0.285 0.000 0.856 660 D CB -0.687 40.090 40.800 -0.038 0.000 0.934 660 D HN 0.759 nan 8.370 nan 0.000 0.453 661 C N -1.055 117.823 119.300 -0.704 0.000 2.562 661 C HA 0.390 4.850 4.460 0.001 0.000 0.266 661 C C 2.422 177.336 174.990 -0.127 0.000 1.382 661 C CA -0.569 58.055 59.018 -0.657 0.000 1.742 661 C CB -1.507 26.100 27.740 -0.221 0.000 1.812 661 C HN 0.292 nan 8.230 nan 0.000 0.559 662 L N -0.020 121.130 121.223 -0.122 0.000 2.515 662 L HA 0.093 4.434 4.340 0.001 0.000 0.223 662 L C 2.816 179.585 176.870 -0.168 0.000 1.079 662 L CA 0.466 55.264 54.840 -0.071 0.000 0.857 662 L CB -0.633 41.372 42.059 -0.091 0.000 1.050 662 L HN 0.243 nan 8.230 nan 0.000 0.476 663 Q N 1.264 120.981 119.800 -0.137 0.000 2.152 663 Q HA -0.162 4.179 4.340 0.001 0.000 0.206 663 Q C 2.108 178.166 176.000 0.097 0.000 0.985 663 Q CA 2.019 57.807 55.803 -0.023 0.000 0.863 663 Q CB -0.517 28.279 28.738 0.096 0.000 0.904 663 Q HN 0.412 nan 8.270 nan 0.000 0.422 664 G N 0.212 109.052 108.800 0.067 0.000 2.485 664 G HA2 -0.246 3.714 3.960 0.001 0.000 0.221 664 G HA3 -0.246 3.714 3.960 0.001 0.000 0.221 664 G C 1.329 176.191 174.900 -0.063 0.000 1.115 664 G CA 1.071 46.257 45.100 0.143 0.000 0.751 664 G HN 0.458 nan 8.290 nan 0.000 0.567 665 I N -0.029 120.256 120.570 -0.475 0.000 2.252 665 I HA -0.077 4.094 4.170 0.001 0.000 0.245 665 I C 2.606 178.610 176.117 -0.188 0.000 1.102 665 I CA 0.642 61.646 61.300 -0.494 0.000 1.385 665 I CB -0.152 37.452 38.000 -0.660 0.000 1.064 665 I HN 0.130 nan 8.210 nan 0.000 0.414 666 L N 0.190 121.333 121.223 -0.132 0.000 2.109 666 L HA -0.125 4.215 4.340 0.001 0.000 0.207 666 L C 2.647 179.501 176.870 -0.026 0.000 1.086 666 L CA 1.434 56.228 54.840 -0.075 0.000 0.760 666 L CB -0.549 41.469 42.059 -0.068 0.000 0.910 666 L HN 0.325 nan 8.230 nan 0.000 0.437 667 S N -1.495 114.222 115.700 0.028 0.000 2.527 667 S HA -0.055 4.416 4.470 0.001 0.000 0.222 667 S C 1.719 176.351 174.600 0.054 0.000 0.985 667 S CA 0.508 58.732 58.200 0.040 0.000 0.921 667 S CB 0.109 63.340 63.200 0.053 0.000 0.772 667 S HN 0.187 nan 8.310 nan 0.000 0.529 668 V N 1.137 121.092 119.914 0.068 0.000 3.052 668 V HA 0.212 4.332 4.120 0.001 0.000 0.254 668 V C 1.934 178.034 176.094 0.011 0.000 1.100 668 V CA 0.732 63.067 62.300 0.058 0.000 1.112 668 V CB -0.403 31.500 31.823 0.133 0.000 0.738 668 V HN 0.574 nan 8.190 nan 0.000 0.469 669 I N 0.957 121.520 120.570 -0.011 0.000 2.179 669 I HA -0.116 4.055 4.170 0.001 0.000 0.242 669 I C -0.221 175.868 176.117 -0.046 0.000 1.088 669 I CA 1.526 62.795 61.300 -0.051 0.000 1.357 669 I CB -1.460 36.484 38.000 -0.094 0.000 1.051 669 I HN 0.362 nan 8.210 nan 0.000 0.409 670 P HA -0.156 nan 4.420 nan 0.000 0.218 670 P C 1.848 179.160 177.300 0.021 0.000 1.148 670 P CA 1.437 64.539 63.100 0.002 0.000 0.822 670 P CB -0.019 31.686 31.700 0.007 0.000 0.784 671 L N -1.220 120.009 121.223 0.010 0.000 2.156 671 L HA -0.132 4.209 4.340 0.001 0.000 0.208 671 L C 2.552 179.427 176.870 0.010 0.000 1.095 671 L CA 1.278 56.126 54.840 0.013 0.000 0.770 671 L CB -0.889 41.170 42.059 -0.000 0.000 0.914 671 L HN 0.025 nan 8.230 nan 0.000 0.439 672 Q N 0.182 119.976 119.800 -0.010 0.000 2.050 672 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 672 Q C 2.364 178.369 176.000 0.008 0.000 0.980 672 Q CA 1.368 57.162 55.803 -0.016 0.000 0.840 672 Q CB -0.122 28.588 28.738 -0.047 0.000 0.898 672 Q HN 0.492 nan 8.270 nan 0.000 0.424 673 L N 0.046 121.270 121.223 0.002 0.000 2.109 673 L HA -0.165 4.176 4.340 0.001 0.000 0.207 673 L C 2.327 179.279 176.870 0.136 0.000 1.086 673 L CA 0.316 55.178 54.840 0.037 0.000 0.760 673 L CB -0.322 41.777 42.059 0.067 0.000 0.910 673 L HN 0.257 nan 8.230 nan 0.000 0.437 674 L N 0.362 121.665 121.223 0.134 0.000 2.017 674 L HA -0.155 4.185 4.340 0.001 0.000 0.208 674 L C 2.685 179.621 176.870 0.109 0.000 1.073 674 L CA 2.033 56.961 54.840 0.146 0.000 0.745 674 L CB -0.732 41.386 42.059 0.098 0.000 0.894 674 L HN 0.146 nan 8.230 nan 0.000 0.432 675 A N -0.853 122.012 122.820 0.076 0.000 1.917 675 A HA -0.311 4.010 4.320 0.001 0.000 0.219 675 A C 2.285 179.902 177.584 0.055 0.000 1.182 675 A CA 2.186 54.255 52.037 0.052 0.000 0.633 675 A CB -1.257 17.765 19.000 0.036 0.000 0.819 675 A HN 0.604 nan 8.150 nan 0.000 0.448 676 F N 0.066 119.963 119.950 -0.088 0.000 2.084 676 F HA -0.167 4.360 4.527 0.001 0.000 0.296 676 F C 2.474 178.198 175.800 -0.127 0.000 1.111 676 F CA 2.185 60.098 58.000 -0.144 0.000 1.224 676 F CB -0.394 38.456 39.000 -0.250 0.000 0.991 676 F HN 0.349 nan 8.300 nan 0.000 0.471 677 H N -0.185 118.872 119.070 -0.021 0.000 2.423 677 H HA -0.077 4.480 4.556 0.001 0.000 0.297 677 H C 2.235 177.449 175.328 -0.190 0.000 1.075 677 H CA 1.410 57.364 56.048 -0.156 0.000 1.342 677 H CB -0.589 29.205 29.762 0.055 0.000 1.395 677 H HN 0.307 nan 8.280 nan 0.000 0.530 678 L N 0.759 121.992 121.223 0.016 0.000 2.083 678 L HA -0.055 4.286 4.340 0.001 0.000 0.209 678 L C 2.449 179.278 176.870 -0.069 0.000 1.083 678 L CA 1.542 56.382 54.840 0.000 0.000 0.752 678 L CB -0.632 41.463 42.059 0.060 0.000 0.899 678 L HN 0.178 nan 8.230 nan 0.000 0.433 679 A N -2.025 120.726 122.820 -0.115 0.000 1.930 679 A HA -0.044 4.277 4.320 0.001 0.000 0.215 679 A C 2.294 179.724 177.584 -0.256 0.000 1.176 679 A CA 1.307 53.292 52.037 -0.085 0.000 0.632 679 A CB -0.726 18.240 19.000 -0.056 0.000 0.819 679 A HN 0.206 nan 8.150 nan 0.000 0.445 680 V N 0.242 119.916 119.914 -0.401 0.000 2.307 680 V HA -0.247 3.873 4.120 0.001 0.000 0.245 680 V C 2.576 178.444 176.094 -0.376 0.000 1.045 680 V CA 2.003 64.057 62.300 -0.410 0.000 1.024 680 V CB -0.667 30.864 31.823 -0.485 0.000 0.651 680 V HN 0.596 nan 8.190 nan 0.000 0.449 681 L N -0.565 120.412 121.223 -0.409 0.000 2.043 681 L HA -0.268 4.073 4.340 0.001 0.000 0.212 681 L C 2.729 179.248 176.870 -0.586 0.000 1.075 681 L CA 1.943 56.427 54.840 -0.594 0.000 0.752 681 L CB -0.583 40.915 42.059 -0.935 0.000 0.891 681 L HN 0.267 nan 8.230 nan 0.000 0.432 682 R N -0.288 119.933 120.500 -0.465 0.000 2.090 682 R HA 0.058 4.399 4.340 0.001 0.000 0.228 682 R C 0.749 176.649 176.300 -0.666 0.000 1.110 682 R CA 0.699 56.551 56.100 -0.414 0.000 0.973 682 R CB -0.171 29.959 30.300 -0.283 0.000 0.869 682 R HN 0.445 nan 8.270 nan 0.000 0.440 683 G N 0.484 108.841 108.800 -0.739 0.000 2.963 683 G HA2 -0.193 3.767 3.960 0.001 0.000 0.262 683 G HA3 -0.193 3.767 3.960 0.001 0.000 0.262 683 G C -1.004 173.528 174.900 -0.613 0.000 1.043 683 G CA -0.715 44.060 45.100 -0.542 0.000 1.223 683 G HN 0.149 nan 8.290 nan 0.000 0.574 684 Y N -0.490 119.783 120.300 -0.045 0.000 2.634 684 Y HA 0.622 5.173 4.550 0.001 0.000 0.340 684 Y C 0.231 176.129 175.900 -0.003 0.000 1.058 684 Y CA -1.870 56.231 58.100 0.001 0.000 1.081 684 Y CB 1.425 39.883 38.460 -0.004 0.000 1.295 684 Y HN 0.250 nan 8.280 nan 0.000 0.487 685 D N 0.430 120.960 120.400 0.218 0.000 2.517 685 D HA 0.232 4.872 4.640 0.001 0.000 0.220 685 D C 0.725 177.108 176.300 0.138 0.000 1.158 685 D CA 0.242 54.327 54.000 0.142 0.000 0.992 685 D CB 0.410 41.285 40.800 0.126 0.000 1.058 685 D HN 0.413 nan 8.370 nan 0.000 0.516 686 V N 2.382 122.373 119.914 0.128 0.000 2.428 686 V HA -0.235 3.886 4.120 0.001 0.000 0.255 686 V C 0.982 177.156 176.094 0.133 0.000 1.080 686 V CA 1.583 63.958 62.300 0.125 0.000 1.083 686 V CB -0.378 31.546 31.823 0.169 0.000 0.665 686 V HN 0.574 nan 8.190 nan 0.000 0.461 687 D N 0.000 120.494 120.400 0.157 0.000 6.856 687 D HA 0.000 4.641 4.640 0.001 0.000 0.175 687 D CA 0.000 54.100 54.000 0.166 0.000 0.868 687 D CB 0.000 40.968 40.800 0.280 0.000 0.688 687 D HN 0.000 nan 8.370 nan 0.000 0.683