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 1j20_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKIVLAYSGG LDTSIILKWL KETYRAEVIA FTADIGQGEE VEEAREKALR DATA SEQUENCE TGASKAIALD LKEEFVRDFV FPMMRAGAVY EGYYLLGTSI ARPLIAKHLV DATA SEQUENCE RIAEEEGAEA IAHGATGKGN DQVRFELTAY ALKPDIKVIA PWREWSFQGR DATA SEQUENCE KEMIAYAEAH GIPVPXXXXX PYSMDANLLH ISYEGGVLED PWAEPPKGMF DATA SEQUENCE RMTQDPEEAP DAPEYVEVEF FEGDPVAVNG ERLSPAALLQ RLNEIGGRHG DATA SEQUENCE VGRVDIVENR FVGMKSRGVY ETPGGTILYH ARRAVESLTL DREVLHQRDM DATA SEQUENCE LSPKYAELVY YGFWYAPERE ALQAYFDHVA RSVTGVARLK LYKGNVYVVG DATA SEQUENCE RKAPKSLYRQ DLVSFXXXXG YDQKDAEGFI KIQALRLRVR ALVER 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 K N 4.920 125.314 120.400 -0.008 0.000 2.221 2 K HA 0.796 5.117 4.320 0.001 0.000 0.258 2 K C -1.319 175.260 176.600 -0.036 0.000 0.944 2 K CA -0.632 55.645 56.287 -0.017 0.000 0.823 2 K CB 2.315 34.806 32.500 -0.014 0.000 1.113 2 K HN 0.588 nan 8.250 nan 0.000 0.431 3 I N 2.416 122.961 120.570 -0.042 0.000 2.466 3 I HA 0.225 4.396 4.170 0.001 0.000 0.289 3 I C -0.701 175.393 176.117 -0.039 0.000 1.026 3 I CA -1.229 60.032 61.300 -0.065 0.000 1.078 3 I CB 2.126 40.066 38.000 -0.101 0.000 1.249 3 I HN 0.187 nan 8.210 nan 0.000 0.429 4 V N 6.584 126.476 119.914 -0.037 0.000 2.364 4 V HA 0.315 4.436 4.120 0.001 0.000 0.272 4 V C -0.198 175.900 176.094 0.007 0.000 1.036 4 V CA -0.530 61.766 62.300 -0.006 0.000 0.880 4 V CB 1.406 33.219 31.823 -0.016 0.000 0.991 4 V HN 0.416 nan 8.190 nan 0.000 0.460 5 L N 5.171 126.422 121.223 0.047 0.000 2.317 5 L HA 0.819 5.160 4.340 0.001 0.000 0.281 5 L C 0.544 177.495 176.870 0.135 0.000 1.024 5 L CA -0.267 54.611 54.840 0.064 0.000 0.810 5 L CB 1.429 43.536 42.059 0.079 0.000 1.240 5 L HN 0.695 nan 8.230 nan 0.000 0.427 6 A N 4.912 127.775 122.820 0.072 0.000 2.457 6 A HA 0.215 4.536 4.320 0.001 0.000 0.298 6 A C -1.128 176.507 177.584 0.085 0.000 1.288 6 A CA -0.046 52.031 52.037 0.068 0.000 0.956 6 A CB -0.950 17.976 19.000 -0.123 0.000 1.135 6 A HN 0.668 nan 8.150 nan 0.000 0.535 7 Y N 3.363 123.636 120.300 -0.044 0.000 2.342 7 Y HA 0.351 4.902 4.550 0.001 0.000 0.338 7 Y C 1.275 177.124 175.900 -0.086 0.000 0.965 7 Y CA -0.212 57.862 58.100 -0.043 0.000 1.159 7 Y CB 1.515 39.963 38.460 -0.019 0.000 1.157 7 Y HN 0.653 nan 8.280 nan 0.000 0.486 8 S N 2.528 117.933 115.700 -0.492 0.000 2.524 8 S HA 0.242 4.713 4.470 0.001 0.000 0.216 8 S C 1.520 175.792 174.600 -0.547 0.000 0.987 8 S CA 0.488 58.443 58.200 -0.408 0.000 0.909 8 S CB -0.038 63.013 63.200 -0.249 0.000 0.781 8 S HN 1.517 nan 8.310 nan 0.000 0.521 9 G N 0.380 108.498 108.800 -1.137 0.000 2.213 9 G HA2 -0.108 3.853 3.960 0.001 0.000 0.236 9 G HA3 -0.108 3.853 3.960 0.001 0.000 0.236 9 G C 0.542 175.225 174.900 -0.363 0.000 0.991 9 G CA -0.062 44.606 45.100 -0.720 0.000 0.629 9 G HN 1.041 nan 8.290 nan 0.000 0.517 10 G N -0.587 108.019 108.800 -0.324 0.000 2.611 10 G HA2 0.535 4.495 3.960 0.001 0.000 0.273 10 G HA3 0.535 4.495 3.960 0.001 0.000 0.273 10 G C 1.207 176.074 174.900 -0.056 0.000 1.305 10 G CA 0.231 45.251 45.100 -0.135 0.000 1.010 10 G HN 0.925 nan 8.290 nan 0.000 0.509 11 L N -0.801 120.420 121.223 -0.002 0.000 2.027 11 L HA 0.008 4.349 4.340 0.001 0.000 0.206 11 L C 2.182 179.093 176.870 0.069 0.000 1.074 11 L CA 2.251 57.111 54.840 0.033 0.000 0.745 11 L CB -0.557 41.513 42.059 0.018 0.000 0.898 11 L HN 0.463 nan 8.230 nan 0.000 0.433 12 D N -0.776 119.681 120.400 0.096 0.000 2.117 12 D HA -0.156 4.485 4.640 0.001 0.000 0.197 12 D C 2.182 178.599 176.300 0.194 0.000 0.987 12 D CA 1.959 56.064 54.000 0.176 0.000 0.829 12 D CB -0.407 40.587 40.800 0.323 0.000 0.961 12 D HN 0.563 nan 8.370 nan 0.000 0.460 13 T N -2.071 112.563 114.554 0.133 0.000 2.995 13 T HA 0.003 4.354 4.350 0.001 0.000 0.269 13 T C 2.085 176.987 174.700 0.337 0.000 1.091 13 T CA 0.864 63.067 62.100 0.172 0.000 1.128 13 T CB -0.112 68.758 68.868 0.004 0.000 0.891 13 T HN -0.110 nan 8.240 nan 0.000 0.492 14 S N 1.409 117.291 115.700 0.303 0.000 2.371 14 S HA 0.157 4.628 4.470 0.001 0.000 0.224 14 S C 1.940 176.694 174.600 0.256 0.000 1.029 14 S CA 0.720 59.143 58.200 0.372 0.000 0.978 14 S CB -0.412 62.942 63.200 0.257 0.000 0.833 14 S HN 0.444 nan 8.310 nan 0.000 0.466 15 I N 1.495 122.196 120.570 0.218 0.000 2.163 15 I HA -0.199 3.972 4.170 0.001 0.000 0.243 15 I C 2.050 178.392 176.117 0.375 0.000 1.085 15 I CA 1.248 62.702 61.300 0.257 0.000 1.347 15 I CB -0.339 37.719 38.000 0.097 0.000 1.044 15 I HN 0.247 nan 8.210 nan 0.000 0.408 16 I N 0.274 121.056 120.570 0.353 0.000 2.264 16 I HA -0.331 3.840 4.170 0.001 0.000 0.248 16 I C 2.538 178.881 176.117 0.376 0.000 1.111 16 I CA 1.396 62.930 61.300 0.390 0.000 1.382 16 I CB -0.217 37.916 38.000 0.222 0.000 1.060 16 I HN 0.292 nan 8.210 nan 0.000 0.418 17 L N 0.591 121.984 121.223 0.284 0.000 2.017 17 L HA -0.242 4.099 4.340 0.001 0.000 0.208 17 L C 2.689 179.668 176.870 0.183 0.000 1.073 17 L CA 1.595 56.546 54.840 0.184 0.000 0.745 17 L CB -0.292 41.816 42.059 0.082 0.000 0.894 17 L HN 0.126 nan 8.230 nan 0.000 0.432 18 K N -0.714 119.804 120.400 0.197 0.000 2.026 18 K HA -0.256 4.065 4.320 0.001 0.000 0.208 18 K C 1.746 178.492 176.600 0.243 0.000 1.048 18 K CA 1.851 58.221 56.287 0.138 0.000 0.929 18 K CB -0.814 31.651 32.500 -0.058 0.000 0.713 18 K HN 0.488 nan 8.250 nan 0.000 0.439 19 W N 2.068 123.500 121.300 0.220 0.000 2.335 19 W HA -0.186 4.475 4.660 0.001 0.000 0.311 19 W C 1.833 178.459 176.519 0.179 0.000 1.213 19 W CA 1.475 58.948 57.345 0.214 0.000 1.274 19 W CB -0.378 29.226 29.460 0.240 0.000 1.148 19 W HN -0.038 nan 8.180 nan 0.000 0.498 20 L N 0.585 122.015 121.223 0.345 0.000 2.017 20 L HA -0.270 4.071 4.340 0.001 0.000 0.208 20 L C 2.655 179.555 176.870 0.050 0.000 1.073 20 L CA 1.716 56.664 54.840 0.180 0.000 0.745 20 L CB -0.940 41.240 42.059 0.202 0.000 0.894 20 L HN -0.060 nan 8.230 nan 0.000 0.432 21 K N -0.117 120.315 120.400 0.054 0.000 2.032 21 K HA -0.263 4.058 4.320 0.001 0.000 0.209 21 K C 2.003 178.593 176.600 -0.017 0.000 1.048 21 K CA 1.802 58.105 56.287 0.026 0.000 0.927 21 K CB -0.206 32.316 32.500 0.037 0.000 0.712 21 K HN 0.381 nan 8.250 nan 0.000 0.441 22 E N 0.398 120.566 120.200 -0.055 0.000 2.051 22 E HA -0.100 4.250 4.350 0.001 0.000 0.189 22 E C 1.808 178.273 176.600 -0.224 0.000 0.979 22 E CA 1.157 57.499 56.400 -0.097 0.000 0.803 22 E CB 0.191 29.864 29.700 -0.045 0.000 0.761 22 E HN 0.154 nan 8.360 nan 0.000 0.451 23 T N -0.250 114.042 114.554 -0.436 0.000 2.746 23 T HA -0.159 4.192 4.350 0.001 0.000 0.267 23 T C 0.910 175.272 174.700 -0.563 0.000 1.039 23 T CA 1.347 63.053 62.100 -0.658 0.000 1.142 23 T CB -0.261 67.814 68.868 -1.320 0.000 0.866 23 T HN 0.274 nan 8.240 nan 0.000 0.444 24 Y N 0.500 120.621 120.300 -0.297 0.000 2.458 24 Y HA 0.378 4.929 4.550 0.002 0.000 0.256 24 Y C 0.658 176.492 175.900 -0.110 0.000 1.159 24 Y CA -0.681 57.318 58.100 -0.168 0.000 1.261 24 Y CB -0.081 38.303 38.460 -0.127 0.000 1.119 24 Y HN 0.014 nan 8.280 nan 0.000 0.524 25 R N 0.028 120.518 120.500 -0.016 0.000 3.188 25 R HA -0.142 4.199 4.340 0.001 0.000 0.247 25 R C -0.366 175.948 176.300 0.023 0.000 0.918 25 R CA 0.522 56.615 56.100 -0.011 0.000 0.629 25 R CB -1.822 28.461 30.300 -0.028 0.000 1.087 25 R HN 0.267 nan 8.270 nan 0.000 0.462 26 A N 0.691 123.533 122.820 0.036 0.000 2.532 26 A HA 0.604 4.925 4.320 0.001 0.000 0.290 26 A C -0.361 177.232 177.584 0.015 0.000 1.143 26 A CA -0.945 51.110 52.037 0.030 0.000 0.728 26 A CB 1.224 20.250 19.000 0.042 0.000 1.317 26 A HN 0.360 nan 8.150 nan 0.000 0.414 27 E N 0.308 120.511 120.200 0.006 0.000 2.242 27 E HA 0.613 4.963 4.350 0.001 0.000 0.275 27 E C -1.219 175.377 176.600 -0.005 0.000 1.002 27 E CA -0.760 55.641 56.400 0.000 0.000 0.841 27 E CB 1.686 31.384 29.700 -0.003 0.000 1.109 27 E HN 0.213 nan 8.360 nan 0.000 0.394 28 V N 3.795 123.703 119.914 -0.009 0.000 2.459 28 V HA 0.299 4.420 4.120 0.001 0.000 0.295 28 V C -0.258 175.822 176.094 -0.024 0.000 1.029 28 V CA -0.738 61.553 62.300 -0.015 0.000 0.874 28 V CB 1.171 32.989 31.823 -0.009 0.000 0.985 28 V HN 0.635 nan 8.190 nan 0.000 0.438 29 I N 4.400 124.962 120.570 -0.013 0.000 2.307 29 I HA 0.571 4.742 4.170 0.001 0.000 0.289 29 I C 0.652 176.780 176.117 0.020 0.000 1.021 29 I CA 0.012 61.311 61.300 -0.001 0.000 1.224 29 I CB 1.463 39.469 38.000 0.010 0.000 1.376 29 I HN 0.696 nan 8.210 nan 0.000 0.470 30 A N 6.737 129.552 122.820 -0.009 0.000 2.363 30 A HA 0.588 4.909 4.320 0.001 0.000 0.270 30 A C -0.913 176.767 177.584 0.160 0.000 1.121 30 A CA -0.126 51.917 52.037 0.010 0.000 0.800 30 A CB 0.324 19.186 19.000 -0.229 0.000 1.052 30 A HN 0.563 nan 8.150 nan 0.000 0.493 31 F N 2.112 122.097 119.950 0.058 0.000 2.507 31 F HA 0.594 5.121 4.527 0.001 0.000 0.328 31 F C -0.393 175.452 175.800 0.075 0.000 1.136 31 F CA -0.278 57.752 58.000 0.050 0.000 0.930 31 F CB 1.923 40.941 39.000 0.029 0.000 1.166 31 F HN 0.431 nan 8.300 nan 0.000 0.436 32 T N 5.638 119.815 114.554 -0.628 0.000 2.807 32 T HA 0.808 5.159 4.350 0.001 0.000 0.279 32 T C -0.764 173.397 174.700 -0.897 0.000 0.993 32 T CA -0.555 61.184 62.100 -0.601 0.000 0.970 32 T CB 1.367 70.117 68.868 -0.196 0.000 0.950 32 T HN 0.787 nan 8.240 nan 0.000 0.441 33 A N 2.299 124.640 122.820 -0.799 0.000 2.342 33 A HA 0.649 4.970 4.320 0.001 0.000 0.323 33 A C -0.660 176.738 177.584 -0.311 0.000 1.125 33 A CA -0.753 50.948 52.037 -0.560 0.000 0.785 33 A CB 0.906 19.614 19.000 -0.487 0.000 1.221 33 A HN 0.704 nan 8.150 nan 0.000 0.463 34 D N 2.434 122.708 120.400 -0.211 0.000 2.347 34 D HA 0.377 5.018 4.640 0.001 0.000 0.235 34 D C 0.329 176.537 176.300 -0.153 0.000 1.149 34 D CA -0.198 53.711 54.000 -0.151 0.000 0.850 34 D CB 0.408 41.154 40.800 -0.091 0.000 1.061 34 D HN 0.464 nan 8.370 nan 0.000 0.487 35 I N 0.712 121.163 120.570 -0.198 0.000 3.658 35 I HA 0.498 4.669 4.170 0.001 0.000 0.328 35 I C 0.875 176.894 176.117 -0.162 0.000 1.567 35 I CA -0.731 60.409 61.300 -0.266 0.000 1.078 35 I CB 0.413 38.050 38.000 -0.605 0.000 1.267 35 I HN 0.455 nan 8.210 nan 0.000 0.495 36 G N 2.198 110.953 108.800 -0.075 0.000 2.165 36 G HA2 -0.257 3.704 3.960 0.001 0.000 0.226 36 G HA3 -0.257 3.704 3.960 0.001 0.000 0.226 36 G C 0.320 175.206 174.900 -0.023 0.000 1.035 36 G CA 0.387 45.478 45.100 -0.015 0.000 0.744 36 G HN 0.555 nan 8.290 nan 0.000 0.501 37 Q N -0.252 119.512 119.800 -0.060 0.000 2.472 37 Q HA 0.422 4.763 4.340 0.001 0.000 0.208 37 Q C 1.946 177.928 176.000 -0.029 0.000 0.958 37 Q CA 1.191 56.963 55.803 -0.052 0.000 0.932 37 Q CB 0.194 28.882 28.738 -0.083 0.000 1.007 37 Q HN 1.783 nan 8.270 nan 0.000 0.508 38 G N 0.302 109.089 108.800 -0.021 0.000 2.225 38 G HA2 -0.280 3.681 3.960 0.001 0.000 0.264 38 G HA3 -0.280 3.681 3.960 0.001 0.000 0.264 38 G C -0.511 174.378 174.900 -0.018 0.000 1.060 38 G CA 0.156 45.250 45.100 -0.009 0.000 0.833 38 G HN 0.323 nan 8.290 nan 0.000 0.498 39 E N -1.039 119.142 120.200 -0.032 0.000 2.369 39 E HA 0.487 4.838 4.350 0.001 0.000 0.270 39 E C -0.754 175.825 176.600 -0.035 0.000 0.909 39 E CA -1.099 55.280 56.400 -0.035 0.000 0.775 39 E CB 1.340 31.009 29.700 -0.052 0.000 1.270 39 E HN 0.052 nan 8.360 nan 0.000 0.445 40 E N 1.505 121.689 120.200 -0.027 0.000 2.052 40 E HA 0.057 4.408 4.350 0.001 0.000 0.283 40 E C 0.495 177.078 176.600 -0.028 0.000 1.071 40 E CA -0.165 56.222 56.400 -0.022 0.000 0.851 40 E CB 0.779 30.472 29.700 -0.011 0.000 1.066 40 E HN 0.449 nan 8.360 nan 0.000 0.396 41 V N 2.211 122.101 119.914 -0.039 0.000 2.759 41 V HA -0.080 4.041 4.120 0.001 0.000 0.256 41 V C 1.446 177.529 176.094 -0.019 0.000 1.080 41 V CA 1.066 63.337 62.300 -0.048 0.000 1.101 41 V CB -0.279 31.495 31.823 -0.081 0.000 0.698 41 V HN 0.397 nan 8.190 nan 0.000 0.477 42 E N 0.906 121.101 120.200 -0.008 0.000 2.268 42 E HA -0.122 4.229 4.350 0.001 0.000 0.195 42 E C 2.224 178.833 176.600 0.016 0.000 0.995 42 E CA 1.233 57.636 56.400 0.006 0.000 0.836 42 E CB -0.084 29.619 29.700 0.006 0.000 0.763 42 E HN 0.796 nan 8.360 nan 0.000 0.491 43 E N 0.484 120.692 120.200 0.012 0.000 2.072 43 E HA -0.082 4.268 4.350 0.001 0.000 0.190 43 E C 2.027 178.657 176.600 0.050 0.000 0.982 43 E CA 0.887 57.300 56.400 0.022 0.000 0.803 43 E CB -0.031 29.675 29.700 0.010 0.000 0.755 43 E HN 0.156 nan 8.360 nan 0.000 0.453 44 A N 1.821 124.672 122.820 0.051 0.000 1.930 44 A HA -0.180 4.141 4.320 0.001 0.000 0.217 44 A C 2.140 179.855 177.584 0.218 0.000 1.175 44 A CA 1.272 53.388 52.037 0.132 0.000 0.627 44 A CB -0.439 18.585 19.000 0.039 0.000 0.815 44 A HN 0.057 nan 8.150 nan 0.000 0.443 45 R N -0.124 120.440 120.500 0.107 0.000 2.083 45 R HA -0.184 4.157 4.340 0.001 0.000 0.237 45 R C 2.025 178.348 176.300 0.038 0.000 1.137 45 R CA 1.951 58.090 56.100 0.067 0.000 0.951 45 R CB -0.278 30.043 30.300 0.035 0.000 0.851 45 R HN 0.685 nan 8.270 nan 0.000 0.434 46 E N 0.080 120.305 120.200 0.040 0.000 2.072 46 E HA -0.210 4.141 4.350 0.001 0.000 0.191 46 E C 1.976 178.593 176.600 0.029 0.000 0.985 46 E CA 1.232 57.648 56.400 0.025 0.000 0.801 46 E CB -0.006 29.708 29.700 0.024 0.000 0.750 46 E HN 0.255 nan 8.360 nan 0.000 0.452 47 K N 0.721 121.163 120.400 0.069 0.000 2.147 47 K HA -0.138 4.183 4.320 0.001 0.000 0.205 47 K C 2.057 178.681 176.600 0.040 0.000 1.049 47 K CA 1.081 57.422 56.287 0.090 0.000 0.936 47 K CB -0.062 32.536 32.500 0.164 0.000 0.722 47 K HN 0.087 nan 8.250 nan 0.000 0.446 48 A N 1.255 124.043 122.820 -0.054 0.000 1.933 48 A HA -0.116 4.205 4.320 0.001 0.000 0.218 48 A C 2.068 179.532 177.584 -0.200 0.000 1.175 48 A CA 1.209 53.010 52.037 -0.393 0.000 0.628 48 A CB -0.514 18.120 19.000 -0.609 0.000 0.814 48 A HN 0.311 nan 8.150 nan 0.000 0.444 49 L N -1.319 119.845 121.223 -0.099 0.000 2.056 49 L HA -0.148 4.193 4.340 0.001 0.000 0.207 49 L C 2.828 179.676 176.870 -0.038 0.000 1.078 49 L CA 1.311 56.115 54.840 -0.059 0.000 0.749 49 L CB -0.472 41.569 42.059 -0.030 0.000 0.901 49 L HN 0.338 nan 8.230 nan 0.000 0.433 50 R N -0.632 119.856 120.500 -0.020 0.000 2.120 50 R HA -0.114 4.227 4.340 0.001 0.000 0.234 50 R C 2.012 178.311 176.300 -0.000 0.000 1.123 50 R CA 1.647 57.746 56.100 -0.003 0.000 0.975 50 R CB -0.309 29.999 30.300 0.014 0.000 0.866 50 R HN 0.317 nan 8.270 nan 0.000 0.446 51 T N -1.395 113.151 114.554 -0.014 0.000 3.088 51 T HA 0.093 4.444 4.350 0.001 0.000 0.259 51 T C 1.075 175.769 174.700 -0.011 0.000 1.122 51 T CA 1.028 63.128 62.100 -0.001 0.000 1.095 51 T CB 0.657 69.524 68.868 -0.001 0.000 0.930 51 T HN 0.581 nan 8.240 nan 0.000 0.508 52 G N 0.946 109.727 108.800 -0.031 0.000 2.205 52 G HA2 0.029 3.990 3.960 0.001 0.000 0.180 52 G HA3 0.029 3.990 3.960 0.001 0.000 0.180 52 G C 0.237 175.113 174.900 -0.039 0.000 1.004 52 G CA -0.312 44.775 45.100 -0.022 0.000 0.670 52 G HN 0.772 nan 8.290 nan 0.000 0.496 53 A N 0.867 123.639 122.820 -0.080 0.000 2.498 53 A HA 0.620 4.940 4.320 0.001 0.000 0.239 53 A C 1.750 179.305 177.584 -0.048 0.000 1.068 53 A CA 1.293 53.280 52.037 -0.083 0.000 0.766 53 A CB 0.388 19.301 19.000 -0.145 0.000 1.003 53 A HN 1.649 nan 8.150 nan 0.000 0.497 54 S N 0.884 116.565 115.700 -0.032 0.000 2.489 54 S HA 0.104 4.575 4.470 0.001 0.000 0.228 54 S C 0.513 175.104 174.600 -0.016 0.000 0.995 54 S CA 1.004 59.193 58.200 -0.019 0.000 0.934 54 S CB -0.163 63.030 63.200 -0.012 0.000 0.771 54 S HN 0.807 nan 8.310 nan 0.000 0.522 55 K N -0.197 120.191 120.400 -0.020 0.000 2.569 55 K HA 0.587 4.908 4.320 0.001 0.000 0.259 55 K C -2.200 174.393 176.600 -0.011 0.000 0.932 55 K CA -0.405 55.878 56.287 -0.008 0.000 0.833 55 K CB 1.731 34.233 32.500 0.004 0.000 1.340 55 K HN 0.144 nan 8.250 nan 0.000 0.429 56 A N 4.967 127.786 122.820 -0.002 0.000 2.343 56 A HA 0.708 5.029 4.320 0.001 0.000 0.308 56 A C -1.100 176.515 177.584 0.051 0.000 1.092 56 A CA -0.745 51.295 52.037 0.005 0.000 0.751 56 A CB 0.542 19.523 19.000 -0.032 0.000 1.203 56 A HN 0.623 nan 8.150 nan 0.000 0.452 57 I N 1.734 122.370 120.570 0.109 0.000 2.474 57 I HA 0.654 4.825 4.170 0.001 0.000 0.294 57 I C 0.274 176.489 176.117 0.162 0.000 1.005 57 I CA -0.452 60.946 61.300 0.162 0.000 1.113 57 I CB 2.200 40.345 38.000 0.242 0.000 1.289 57 I HN 0.727 nan 8.210 nan 0.000 0.436 58 A N 7.598 130.479 122.820 0.101 0.000 2.359 58 A HA 0.890 5.211 4.320 0.001 0.000 0.303 58 A C -1.168 176.443 177.584 0.045 0.000 1.066 58 A CA -0.401 51.641 52.037 0.008 0.000 0.730 58 A CB 1.127 20.118 19.000 -0.016 0.000 1.211 58 A HN 0.651 nan 8.150 nan 0.000 0.439 59 L N 1.344 122.579 121.223 0.020 0.000 2.370 59 L HA 0.468 4.809 4.340 0.001 0.000 0.266 59 L C -0.890 175.965 176.870 -0.024 0.000 1.002 59 L CA -0.966 53.901 54.840 0.045 0.000 0.818 59 L CB 2.285 44.422 42.059 0.129 0.000 1.325 59 L HN 0.708 nan 8.230 nan 0.000 0.418 60 D N 2.689 123.087 120.400 -0.002 0.000 2.380 60 D HA 0.282 4.923 4.640 0.001 0.000 0.230 60 D C 0.040 176.341 176.300 0.001 0.000 1.154 60 D CA 0.043 54.036 54.000 -0.011 0.000 0.859 60 D CB 1.036 41.840 40.800 0.007 0.000 1.045 60 D HN 0.401 nan 8.370 nan 0.000 0.495 61 L N 3.592 124.802 121.223 -0.023 0.000 2.910 61 L HA 0.197 4.538 4.340 0.001 0.000 0.252 61 L C 1.845 178.756 176.870 0.069 0.000 1.195 61 L CA -0.307 54.541 54.840 0.012 0.000 1.003 61 L CB 0.247 42.272 42.059 -0.057 0.000 1.328 61 L HN 0.151 nan 8.230 nan 0.000 0.540 62 K N 0.604 121.038 120.400 0.057 0.000 2.032 62 K HA -0.168 4.153 4.320 0.001 0.000 0.209 62 K C 2.014 178.682 176.600 0.114 0.000 1.048 62 K CA 1.398 57.750 56.287 0.109 0.000 0.927 62 K CB 0.123 32.662 32.500 0.064 0.000 0.712 62 K HN 0.182 nan 8.250 nan 0.000 0.441 63 E N 0.326 120.566 120.200 0.066 0.000 2.047 63 E HA -0.213 4.138 4.350 0.001 0.000 0.191 63 E C 2.038 178.667 176.600 0.048 0.000 0.987 63 E CA 1.001 57.415 56.400 0.024 0.000 0.799 63 E CB -0.070 29.646 29.700 0.026 0.000 0.752 63 E HN 0.428 nan 8.360 nan 0.000 0.449 64 E N 0.025 120.306 120.200 0.135 0.000 2.077 64 E HA -0.185 4.166 4.350 0.001 0.000 0.193 64 E C 1.994 178.795 176.600 0.334 0.000 0.989 64 E CA 0.607 57.145 56.400 0.229 0.000 0.800 64 E CB -0.175 29.706 29.700 0.302 0.000 0.746 64 E HN 0.105 nan 8.360 nan 0.000 0.452 65 F N 1.187 121.190 119.950 0.089 0.000 2.046 65 F HA -0.226 4.302 4.527 0.001 0.000 0.297 65 F C 2.001 177.830 175.800 0.049 0.000 1.123 65 F CA 1.577 59.595 58.000 0.030 0.000 1.199 65 F CB -0.749 38.195 39.000 -0.094 0.000 0.972 65 F HN -0.103 nan 8.300 nan 0.000 0.474 66 V N 1.052 120.768 119.914 -0.330 0.000 2.379 66 V HA -0.211 3.910 4.120 0.001 0.000 0.245 66 V C 2.644 178.327 176.094 -0.686 0.000 1.044 66 V CA 2.117 64.035 62.300 -0.636 0.000 1.036 66 V CB -0.847 30.617 31.823 -0.600 0.000 0.664 66 V HN 0.323 nan 8.190 nan 0.000 0.453 67 R N 0.177 120.413 120.500 -0.439 0.000 2.066 67 R HA -0.146 4.195 4.340 0.001 0.000 0.232 67 R C 1.625 177.882 176.300 -0.071 0.000 1.131 67 R CA 1.933 57.850 56.100 -0.305 0.000 0.955 67 R CB -0.128 30.101 30.300 -0.119 0.000 0.851 67 R HN 0.475 nan 8.270 nan 0.000 0.432 68 D N -1.401 119.010 120.400 0.019 0.000 2.360 68 D HA 0.039 4.680 4.640 0.001 0.000 0.210 68 D C 0.617 176.715 176.300 -0.337 0.000 1.047 68 D CA 0.562 54.520 54.000 -0.069 0.000 0.854 68 D CB 0.405 41.173 40.800 -0.053 0.000 0.936 68 D HN 0.199 nan 8.370 nan 0.000 0.514 69 F N -0.778 119.135 119.950 -0.061 0.000 2.421 69 F HA 0.074 4.602 4.527 0.001 0.000 0.270 69 F C 2.163 177.801 175.800 -0.270 0.000 0.894 69 F CA -0.040 57.825 58.000 -0.225 0.000 1.128 69 F CB -0.408 38.385 39.000 -0.345 0.000 1.011 69 F HN -0.255 nan 8.300 nan 0.000 0.788 70 V N 0.509 120.296 119.914 -0.211 0.000 2.270 70 V HA -0.253 3.868 4.120 0.001 0.000 0.245 70 V C 2.245 178.416 176.094 0.128 0.000 1.043 70 V CA 1.730 63.912 62.300 -0.197 0.000 1.014 70 V CB -0.644 30.921 31.823 -0.431 0.000 0.645 70 V HN 0.150 nan 8.190 nan 0.000 0.447 71 F N 0.237 120.133 119.950 -0.090 0.000 2.095 71 F HA -0.043 4.484 4.527 0.001 0.000 0.298 71 F C 0.175 175.983 175.800 0.014 0.000 1.104 71 F CA 1.033 59.015 58.000 -0.029 0.000 1.232 71 F CB -2.568 36.422 39.000 -0.017 0.000 0.987 71 F HN 0.279 nan 8.300 nan 0.000 0.475 72 P HA -0.201 nan 4.420 nan 0.000 0.217 72 P C 2.170 179.603 177.300 0.223 0.000 1.150 72 P CA 1.583 64.821 63.100 0.230 0.000 0.832 72 P CB -0.194 31.691 31.700 0.308 0.000 0.787 73 M N -1.643 118.137 119.600 0.299 0.000 2.132 73 M HA -0.138 4.343 4.480 0.001 0.000 0.263 73 M C 1.879 178.189 176.300 0.018 0.000 1.065 73 M CA 1.957 57.433 55.300 0.292 0.000 1.122 73 M CB -0.415 32.326 32.600 0.234 0.000 1.365 73 M HN -0.151 nan 8.290 nan 0.000 0.411 74 M N -0.438 119.173 119.600 0.019 0.000 2.159 74 M HA -0.165 4.316 4.480 0.001 0.000 0.263 74 M C 2.041 178.258 176.300 -0.138 0.000 1.063 74 M CA 1.524 56.798 55.300 -0.044 0.000 1.110 74 M CB -0.517 32.081 32.600 -0.003 0.000 1.374 74 M HN 0.267 nan 8.290 nan 0.000 0.411 75 R N 0.345 120.769 120.500 -0.128 0.000 2.159 75 R HA -0.076 4.265 4.340 0.001 0.000 0.237 75 R C 2.075 178.195 176.300 -0.300 0.000 1.131 75 R CA 1.367 57.370 56.100 -0.162 0.000 0.982 75 R CB -0.442 29.809 30.300 -0.081 0.000 0.868 75 R HN 0.367 nan 8.270 nan 0.000 0.453 76 A N 0.184 122.667 122.820 -0.561 0.000 2.208 76 A HA 0.188 4.509 4.320 0.001 0.000 0.209 76 A C 1.426 178.497 177.584 -0.857 0.000 1.161 76 A CA 0.702 51.976 52.037 -1.272 0.000 0.782 76 A CB -0.049 17.594 19.000 -2.262 0.000 0.816 76 A HN 0.420 nan 8.150 nan 0.000 0.477 77 G N -1.196 107.348 108.800 -0.427 0.000 2.198 77 G HA2 0.045 4.006 3.960 0.001 0.000 0.260 77 G HA3 0.045 4.006 3.960 0.001 0.000 0.260 77 G C 0.401 175.240 174.900 -0.101 0.000 1.025 77 G CA 0.402 45.371 45.100 -0.218 0.000 0.769 77 G HN 1.624 nan 8.290 nan 0.000 0.507 78 A N -0.551 122.185 122.820 -0.141 0.000 2.522 78 A HA 0.568 4.889 4.320 0.001 0.000 0.256 78 A C 0.389 177.980 177.584 0.012 0.000 1.086 78 A CA 0.782 52.816 52.037 -0.005 0.000 0.763 78 A CB 0.673 19.766 19.000 0.155 0.000 1.024 78 A HN 1.328 nan 8.150 nan 0.000 0.502 79 V N 3.917 123.836 119.914 0.009 0.000 2.612 79 V HA 0.214 4.335 4.120 0.001 0.000 0.301 79 V C -1.043 175.057 176.094 0.011 0.000 1.059 79 V CA -0.524 61.751 62.300 -0.042 0.000 0.886 79 V CB 1.529 33.276 31.823 -0.126 0.000 1.007 79 V HN 0.806 nan 8.190 nan 0.000 0.426 80 Y N 3.470 123.705 120.300 -0.107 0.000 2.327 80 Y HA 0.373 4.924 4.550 0.001 0.000 0.336 80 Y C 1.105 176.960 175.900 -0.074 0.000 1.035 80 Y CA -0.387 57.647 58.100 -0.109 0.000 1.165 80 Y CB 0.698 39.076 38.460 -0.136 0.000 1.181 80 Y HN 0.874 nan 8.280 nan 0.000 0.494 81 E N 4.280 124.107 120.200 -0.621 0.000 2.199 81 E HA -0.317 4.034 4.350 0.001 0.000 0.208 81 E C 1.157 177.633 176.600 -0.208 0.000 1.310 81 E CA 0.705 56.828 56.400 -0.462 0.000 0.709 81 E CB -1.453 27.901 29.700 -0.577 0.000 1.127 81 E HN 1.202 nan 8.360 nan 0.000 0.354 82 G N -1.209 107.428 108.800 -0.271 0.000 2.377 82 G HA2 -0.414 3.546 3.960 0.001 0.000 0.250 82 G HA3 -0.414 3.546 3.960 0.001 0.000 0.250 82 G C 0.537 175.011 174.900 -0.710 0.000 1.039 82 G CA 0.967 45.762 45.100 -0.508 0.000 0.625 82 G HN 0.447 nan 8.290 nan 0.000 0.526 83 Y N -2.397 117.880 120.300 -0.039 0.000 2.460 83 Y HA 0.405 4.956 4.550 0.001 0.000 0.276 83 Y C 0.775 176.704 175.900 0.049 0.000 1.119 83 Y CA -0.577 57.514 58.100 -0.015 0.000 1.181 83 Y CB 0.244 38.723 38.460 0.033 0.000 1.304 83 Y HN 0.197 nan 8.280 nan 0.000 0.536 84 Y N 3.103 123.444 120.300 0.068 0.000 2.587 84 Y HA 0.203 4.754 4.550 0.002 0.000 0.344 84 Y C 0.615 176.477 175.900 -0.063 0.000 1.061 84 Y CA -0.912 57.157 58.100 -0.051 0.000 1.370 84 Y CB 0.345 38.772 38.460 -0.054 0.000 1.163 84 Y HN 0.137 nan 8.280 nan 0.000 0.527 85 L N 7.351 128.434 121.223 -0.233 0.000 2.645 85 L HA 0.004 4.345 4.340 0.001 0.000 0.235 85 L C 0.694 177.203 176.870 -0.601 0.000 1.150 85 L CA 0.143 54.789 54.840 -0.324 0.000 0.911 85 L CB -0.464 41.514 42.059 -0.135 0.000 1.077 85 L HN 0.809 nan 8.230 nan 0.000 0.438 86 L N -0.745 119.627 121.223 -1.419 0.000 3.865 86 L HA -0.278 4.063 4.340 0.001 0.000 0.408 86 L C 1.813 178.255 176.870 -0.714 0.000 1.209 86 L CA 0.134 54.226 54.840 -1.245 0.000 0.940 86 L CB -2.065 39.662 42.059 -0.553 0.000 1.971 86 L HN 0.431 nan 8.230 nan 0.000 0.899 87 G N -0.615 107.730 108.800 -0.758 0.000 2.513 87 G HA2 -0.291 3.670 3.960 0.001 0.000 0.219 87 G HA3 -0.291 3.670 3.960 0.001 0.000 0.219 87 G C 1.256 175.792 174.900 -0.607 0.000 1.160 87 G CA 1.673 46.173 45.100 -1.001 0.000 0.767 87 G HN 0.426 nan 8.290 nan 0.000 0.571 88 T N 0.819 115.232 114.554 -0.234 0.000 2.937 88 T HA 0.003 4.354 4.350 0.001 0.000 0.260 88 T C 2.890 177.518 174.700 -0.120 0.000 1.051 88 T CA 1.181 63.278 62.100 -0.005 0.000 1.141 88 T CB -0.193 68.798 68.868 0.204 0.000 0.879 88 T HN 0.285 nan 8.240 nan 0.000 0.459 89 S N 2.427 118.058 115.700 -0.114 0.000 2.359 89 S HA -0.153 4.318 4.470 0.001 0.000 0.223 89 S C 1.971 176.421 174.600 -0.251 0.000 1.039 89 S CA 1.632 59.714 58.200 -0.197 0.000 1.042 89 S CB -0.525 62.572 63.200 -0.171 0.000 0.915 89 S HN 0.597 nan 8.310 nan 0.000 0.439 90 I N 1.352 121.773 120.570 -0.249 0.000 3.001 90 I HA 0.171 4.342 4.170 0.001 0.000 0.268 90 I C 2.071 178.062 176.117 -0.210 0.000 1.267 90 I CA 0.398 61.513 61.300 -0.308 0.000 1.472 90 I CB -0.954 36.867 38.000 -0.298 0.000 1.089 90 I HN 0.179 nan 8.210 nan 0.000 0.468 91 A N 1.133 123.860 122.820 -0.155 0.000 1.935 91 A HA 0.008 4.329 4.320 0.001 0.000 0.214 91 A C 2.303 179.669 177.584 -0.363 0.000 1.178 91 A CA 0.546 52.403 52.037 -0.300 0.000 0.640 91 A CB -0.265 18.472 19.000 -0.437 0.000 0.825 91 A HN 0.199 nan 8.150 nan 0.000 0.447 92 R N 0.124 120.408 120.500 -0.360 0.000 2.091 92 R HA -0.103 4.238 4.340 0.001 0.000 0.238 92 R C -0.557 175.617 176.300 -0.211 0.000 1.136 92 R CA 1.681 57.523 56.100 -0.429 0.000 0.959 92 R CB -2.421 27.418 30.300 -0.769 0.000 0.856 92 R HN 0.380 nan 8.270 nan 0.000 0.437 93 P HA -0.145 nan 4.420 nan 0.000 0.215 93 P C 1.644 179.031 177.300 0.144 0.000 1.153 93 P CA 0.798 63.946 63.100 0.080 0.000 0.853 93 P CB -0.120 31.584 31.700 0.006 0.000 0.788 94 L N -0.574 120.438 121.223 -0.353 0.000 2.012 94 L HA -0.159 4.182 4.340 0.001 0.000 0.210 94 L C 1.966 178.879 176.870 0.072 0.000 1.073 94 L CA 2.243 56.822 54.840 -0.436 0.000 0.748 94 L CB -1.112 40.327 42.059 -1.034 0.000 0.891 94 L HN -0.088 nan 8.230 nan 0.000 0.431 95 I N 0.883 121.495 120.570 0.071 0.000 2.127 95 I HA -0.252 3.919 4.170 0.001 0.000 0.241 95 I C 2.990 179.297 176.117 0.316 0.000 1.075 95 I CA 1.573 63.042 61.300 0.281 0.000 1.334 95 I CB -1.854 36.344 38.000 0.330 0.000 1.040 95 I HN 0.274 nan 8.210 nan 0.000 0.405 96 A N 0.797 123.809 122.820 0.321 0.000 1.940 96 A HA -0.256 4.064 4.320 0.001 0.000 0.219 96 A C 2.468 180.140 177.584 0.147 0.000 1.176 96 A CA 1.962 54.150 52.037 0.251 0.000 0.631 96 A CB -0.643 18.544 19.000 0.311 0.000 0.814 96 A HN 0.457 nan 8.150 nan 0.000 0.446 97 K N -1.086 119.427 120.400 0.188 0.000 2.032 97 K HA -0.263 4.058 4.320 0.001 0.000 0.209 97 K C 1.872 178.428 176.600 -0.074 0.000 1.048 97 K CA 2.035 58.364 56.287 0.070 0.000 0.927 97 K CB -0.343 32.277 32.500 0.200 0.000 0.712 97 K HN 0.627 nan 8.250 nan 0.000 0.441 98 H N 0.489 119.522 119.070 -0.060 0.000 2.389 98 H HA -0.006 4.551 4.556 0.001 0.000 0.299 98 H C 1.994 177.091 175.328 -0.386 0.000 1.081 98 H CA 1.647 57.525 56.048 -0.283 0.000 1.345 98 H CB -0.017 29.439 29.762 -0.510 0.000 1.393 98 H HN 0.106 nan 8.280 nan 0.000 0.520 99 L N -0.469 120.664 121.223 -0.149 0.000 2.042 99 L HA -0.202 4.139 4.340 0.001 0.000 0.210 99 L C 2.231 179.036 176.870 -0.108 0.000 1.076 99 L CA 0.978 55.745 54.840 -0.123 0.000 0.749 99 L CB -0.475 41.575 42.059 -0.016 0.000 0.893 99 L HN 0.191 nan 8.230 nan 0.000 0.432 100 V N -0.222 119.640 119.914 -0.086 0.000 2.358 100 V HA -0.270 3.851 4.120 0.001 0.000 0.246 100 V C 2.672 178.707 176.094 -0.099 0.000 1.047 100 V CA 1.859 64.111 62.300 -0.081 0.000 1.035 100 V CB -0.668 31.112 31.823 -0.072 0.000 0.658 100 V HN 0.467 nan 8.190 nan 0.000 0.452 101 R N 0.132 120.550 120.500 -0.137 0.000 2.066 101 R HA -0.117 4.224 4.340 0.001 0.000 0.232 101 R C 2.274 178.506 176.300 -0.114 0.000 1.131 101 R CA 1.817 57.834 56.100 -0.137 0.000 0.955 101 R CB -0.309 29.872 30.300 -0.197 0.000 0.851 101 R HN 0.453 nan 8.270 nan 0.000 0.432 102 I N 1.052 121.536 120.570 -0.144 0.000 2.226 102 I HA -0.232 3.939 4.170 0.001 0.000 0.245 102 I C 2.639 178.712 176.117 -0.073 0.000 1.100 102 I CA 1.239 62.471 61.300 -0.114 0.000 1.374 102 I CB -0.431 37.469 38.000 -0.167 0.000 1.057 102 I HN 0.315 nan 8.210 nan 0.000 0.413 103 A N 0.539 123.315 122.820 -0.073 0.000 1.908 103 A HA -0.252 4.069 4.320 0.001 0.000 0.218 103 A C 2.224 179.784 177.584 -0.040 0.000 1.181 103 A CA 1.881 53.887 52.037 -0.051 0.000 0.627 103 A CB -0.604 18.365 19.000 -0.051 0.000 0.818 103 A HN 0.467 nan 8.150 nan 0.000 0.445 104 E N -0.529 119.644 120.200 -0.045 0.000 2.106 104 E HA -0.178 4.173 4.350 0.001 0.000 0.192 104 E C 2.026 178.609 176.600 -0.029 0.000 0.984 104 E CA 1.246 57.625 56.400 -0.034 0.000 0.806 104 E CB -0.162 29.515 29.700 -0.039 0.000 0.750 104 E HN 0.748 nan 8.360 nan 0.000 0.458 105 E N 0.554 120.734 120.200 -0.034 0.000 2.106 105 E HA -0.140 4.211 4.350 0.001 0.000 0.192 105 E C 1.684 178.274 176.600 -0.018 0.000 0.984 105 E CA 0.694 57.079 56.400 -0.024 0.000 0.806 105 E CB 0.140 29.825 29.700 -0.026 0.000 0.750 105 E HN 0.142 nan 8.360 nan 0.000 0.458 106 E N -0.395 119.792 120.200 -0.021 0.000 2.478 106 E HA 0.033 4.384 4.350 0.001 0.000 0.194 106 E C 0.943 177.535 176.600 -0.013 0.000 1.045 106 E CA 0.542 56.933 56.400 -0.014 0.000 0.868 106 E CB 0.635 30.326 29.700 -0.015 0.000 0.885 106 E HN 0.340 nan 8.360 nan 0.000 0.505 107 G N 1.603 110.394 108.800 -0.015 0.000 2.246 107 G HA2 -0.268 3.693 3.960 0.001 0.000 0.273 107 G HA3 -0.268 3.693 3.960 0.001 0.000 0.273 107 G C 0.298 175.191 174.900 -0.012 0.000 1.055 107 G CA 0.350 45.443 45.100 -0.011 0.000 0.851 107 G HN 0.461 nan 8.290 nan 0.000 0.500 108 A N -0.174 122.635 122.820 -0.018 0.000 2.309 108 A HA 0.722 5.043 4.320 0.001 0.000 0.298 108 A C 1.156 178.727 177.584 -0.021 0.000 1.165 108 A CA 0.511 52.536 52.037 -0.021 0.000 0.821 108 A CB 0.549 19.532 19.000 -0.028 0.000 1.102 108 A HN 0.889 nan 8.150 nan 0.000 0.500 109 E N 1.980 122.169 120.200 -0.019 0.000 2.371 109 E HA 0.314 4.665 4.350 0.001 0.000 0.194 109 E C 0.520 177.106 176.600 -0.023 0.000 1.012 109 E CA 0.892 57.285 56.400 -0.012 0.000 0.860 109 E CB 0.133 29.832 29.700 -0.001 0.000 0.811 109 E HN 0.672 nan 8.360 nan 0.000 0.502 110 A N 1.265 124.056 122.820 -0.049 0.000 2.527 110 A HA 0.684 5.004 4.320 0.001 0.000 0.293 110 A C -0.680 176.851 177.584 -0.088 0.000 1.117 110 A CA -1.022 50.969 52.037 -0.077 0.000 0.723 110 A CB 1.217 20.140 19.000 -0.127 0.000 1.313 110 A HN 0.355 nan 8.150 nan 0.000 0.411 111 I N -2.564 117.946 120.570 -0.101 0.000 2.934 111 I HA 0.969 5.140 4.170 0.001 0.000 0.306 111 I C -0.318 175.721 176.117 -0.131 0.000 1.110 111 I CA -1.129 60.114 61.300 -0.095 0.000 1.019 111 I CB 2.258 40.211 38.000 -0.078 0.000 1.227 111 I HN 0.966 nan 8.210 nan 0.000 0.434 112 A N 2.117 124.861 122.820 -0.126 0.000 2.556 112 A HA 0.925 5.246 4.320 0.001 0.000 0.294 112 A C -1.409 176.062 177.584 -0.188 0.000 1.091 112 A CA -0.468 51.452 52.037 -0.196 0.000 0.704 112 A CB 1.401 20.311 19.000 -0.151 0.000 1.300 112 A HN 1.138 nan 8.150 nan 0.000 0.406 113 H N -1.993 116.952 119.070 -0.208 0.000 3.008 113 H HA 0.697 5.254 4.556 0.001 0.000 0.354 113 H C 0.153 175.406 175.328 -0.125 0.000 1.252 113 H CA -0.341 55.524 56.048 -0.305 0.000 1.117 113 H CB 1.405 30.728 29.762 -0.731 0.000 1.857 113 H HN 0.790 nan 8.280 nan 0.000 0.547 114 G N -0.229 108.662 108.800 0.151 0.000 3.707 114 G HA2 0.503 4.464 3.960 0.001 0.000 0.286 114 G HA3 0.503 4.464 3.960 0.001 0.000 0.286 114 G C 0.045 175.150 174.900 0.341 0.000 1.112 114 G CA 0.040 45.303 45.100 0.273 0.000 0.861 114 G HN 0.862 nan 8.290 nan 0.000 0.534 115 A N 0.777 123.864 122.820 0.445 0.000 2.371 115 A HA 0.642 4.963 4.320 0.001 0.000 0.257 115 A C 1.020 178.583 177.584 -0.036 0.000 1.089 115 A CA 0.239 52.379 52.037 0.171 0.000 0.794 115 A CB 0.294 19.414 19.000 0.200 0.000 1.029 115 A HN 0.573 nan 8.150 nan 0.000 0.488 116 T N -0.767 113.579 114.554 -0.347 0.000 2.816 116 T HA 0.434 4.785 4.350 0.001 0.000 0.282 116 T C 1.223 175.857 174.700 -0.110 0.000 0.993 116 T CA 0.091 61.926 62.100 -0.442 0.000 0.994 116 T CB 1.080 69.559 68.868 -0.649 0.000 1.025 116 T HN 1.010 nan 8.240 nan 0.000 0.529 117 G N -0.014 108.766 108.800 -0.034 0.000 2.848 117 G HA2 0.010 3.971 3.960 0.001 0.000 0.208 117 G HA3 0.010 3.971 3.960 0.001 0.000 0.208 117 G C 1.062 175.955 174.900 -0.011 0.000 1.152 117 G CA 0.210 45.318 45.100 0.014 0.000 0.789 117 G HN 0.880 nan 8.290 nan 0.000 0.531 118 K N -0.036 120.336 120.400 -0.046 0.000 2.455 118 K HA 0.340 4.661 4.320 0.001 0.000 0.206 118 K C 0.657 177.234 176.600 -0.038 0.000 1.027 118 K CA -0.060 56.207 56.287 -0.033 0.000 1.113 118 K CB 0.988 33.472 32.500 -0.026 0.000 0.850 118 K HN 0.104 nan 8.250 nan 0.000 0.503 119 G N 0.524 109.291 108.800 -0.054 0.000 3.016 119 G HA2 0.179 4.139 3.960 0.001 0.000 0.270 119 G HA3 0.179 4.139 3.960 0.001 0.000 0.270 119 G C -0.107 174.761 174.900 -0.054 0.000 1.352 119 G CA -0.645 44.422 45.100 -0.054 0.000 1.060 119 G HN -0.021 nan 8.290 nan 0.000 0.538 120 N N -0.032 118.615 118.700 -0.089 0.000 2.290 120 N HA -0.065 4.676 4.740 0.001 0.000 0.179 120 N C 1.392 176.788 175.510 -0.190 0.000 1.016 120 N CA 0.700 53.667 53.050 -0.138 0.000 0.871 120 N CB 0.042 38.343 38.487 -0.310 0.000 0.987 120 N HN 0.427 nan 8.380 nan 0.000 0.431 121 D N 1.980 122.244 120.400 -0.227 0.000 2.149 121 D HA -0.213 4.428 4.640 0.001 0.000 0.194 121 D C 2.107 178.209 176.300 -0.330 0.000 1.001 121 D CA 1.094 54.876 54.000 -0.363 0.000 0.849 121 D CB -0.252 40.377 40.800 -0.285 0.000 0.939 121 D HN 0.588 nan 8.370 nan 0.000 0.449 122 Q N 0.571 120.293 119.800 -0.131 0.000 2.096 122 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 122 Q C 2.220 178.195 176.000 -0.040 0.000 0.982 122 Q CA 1.544 57.313 55.803 -0.056 0.000 0.850 122 Q CB -0.558 28.233 28.738 0.089 0.000 0.901 122 Q HN 0.169 nan 8.270 nan 0.000 0.422 123 V N 1.345 121.229 119.914 -0.050 0.000 2.358 123 V HA -0.232 3.889 4.120 0.001 0.000 0.246 123 V C 2.450 178.489 176.094 -0.092 0.000 1.047 123 V CA 2.188 64.476 62.300 -0.021 0.000 1.035 123 V CB -0.730 31.125 31.823 0.054 0.000 0.658 123 V HN 0.328 nan 8.190 nan 0.000 0.452 124 R N -0.497 119.883 120.500 -0.201 0.000 2.083 124 R HA -0.122 4.219 4.340 0.001 0.000 0.237 124 R C 2.289 178.481 176.300 -0.180 0.000 1.137 124 R CA 1.957 57.903 56.100 -0.256 0.000 0.951 124 R CB -0.550 29.501 30.300 -0.415 0.000 0.851 124 R HN 0.460 nan 8.270 nan 0.000 0.434 125 F N 0.980 120.824 119.950 -0.177 0.000 2.102 125 F HA -0.177 4.351 4.527 0.001 0.000 0.298 125 F C 2.393 178.122 175.800 -0.118 0.000 1.105 125 F CA 1.205 59.099 58.000 -0.178 0.000 1.239 125 F CB -0.034 38.721 39.000 -0.408 0.000 0.991 125 F HN 0.080 nan 8.300 nan 0.000 0.474 126 E N 0.288 120.540 120.200 0.088 0.000 2.107 126 E HA -0.144 4.207 4.350 0.001 0.000 0.191 126 E C 2.260 178.865 176.600 0.010 0.000 0.982 126 E CA 0.815 57.193 56.400 -0.037 0.000 0.809 126 E CB -0.186 29.548 29.700 0.058 0.000 0.756 126 E HN 0.429 nan 8.360 nan 0.000 0.459 127 L N 0.775 122.046 121.223 0.079 0.000 2.083 127 L HA -0.163 4.178 4.340 0.001 0.000 0.209 127 L C 2.533 179.493 176.870 0.150 0.000 1.083 127 L CA 1.135 56.042 54.840 0.113 0.000 0.752 127 L CB -0.575 41.429 42.059 -0.093 0.000 0.899 127 L HN 0.179 nan 8.230 nan 0.000 0.433 128 T N -0.043 114.596 114.554 0.142 0.000 2.674 128 T HA -0.186 4.165 4.350 0.001 0.000 0.265 128 T C 2.024 176.810 174.700 0.145 0.000 1.039 128 T CA 1.429 63.676 62.100 0.245 0.000 1.150 128 T CB -0.246 68.805 68.868 0.304 0.000 0.864 128 T HN 0.450 nan 8.240 nan 0.000 0.427 129 A N 0.504 123.351 122.820 0.044 0.000 1.865 129 A HA -0.143 4.178 4.320 0.001 0.000 0.217 129 A C 2.087 179.662 177.584 -0.015 0.000 1.191 129 A CA 1.726 53.728 52.037 -0.057 0.000 0.623 129 A CB -1.291 17.583 19.000 -0.210 0.000 0.826 129 A HN 0.680 nan 8.150 nan 0.000 0.444 130 Y N -0.379 119.966 120.300 0.076 0.000 2.224 130 Y HA -0.151 4.400 4.550 0.001 0.000 0.289 130 Y C 2.928 178.866 175.900 0.063 0.000 1.146 130 Y CA 0.557 58.695 58.100 0.064 0.000 1.182 130 Y CB -0.210 38.293 38.460 0.071 0.000 0.983 130 Y HN 0.386 nan 8.280 nan 0.000 0.524 131 A N 0.028 122.990 122.820 0.237 0.000 1.930 131 A HA -0.126 4.195 4.320 0.001 0.000 0.217 131 A C 2.102 179.741 177.584 0.092 0.000 1.175 131 A CA 1.364 53.506 52.037 0.174 0.000 0.627 131 A CB -0.799 18.329 19.000 0.214 0.000 0.815 131 A HN 0.478 nan 8.150 nan 0.000 0.443 132 L N -1.985 119.262 121.223 0.040 0.000 2.202 132 L HA 0.122 4.463 4.340 0.001 0.000 0.205 132 L C 1.263 178.128 176.870 -0.008 0.000 1.083 132 L CA 0.894 55.708 54.840 -0.043 0.000 0.790 132 L CB 0.024 42.003 42.059 -0.132 0.000 0.942 132 L HN 0.264 nan 8.230 nan 0.000 0.452 133 K N 0.423 120.843 120.400 0.032 0.000 2.756 133 K HA 0.206 4.527 4.320 0.001 0.000 0.218 133 K C -2.047 174.617 176.600 0.108 0.000 1.057 133 K CA -1.392 54.920 56.287 0.042 0.000 1.056 133 K CB 1.650 34.157 32.500 0.013 0.000 1.235 133 K HN -0.263 nan 8.250 nan 0.000 0.547 134 P HA -0.171 nan 4.420 nan 0.000 0.218 134 P C -0.085 177.304 177.300 0.148 0.000 1.146 134 P CA 1.181 64.369 63.100 0.146 0.000 0.813 134 P CB 0.358 32.106 31.700 0.080 0.000 0.778 135 D N -0.847 119.617 120.400 0.108 0.000 2.339 135 D HA 0.081 4.721 4.640 0.001 0.000 0.217 135 D C 0.974 177.339 176.300 0.109 0.000 1.050 135 D CA -0.364 53.692 54.000 0.092 0.000 0.856 135 D CB -0.221 40.612 40.800 0.054 0.000 0.922 135 D HN 0.205 nan 8.370 nan 0.000 0.518 136 I N 1.330 121.976 120.570 0.127 0.000 2.813 136 I HA -0.059 4.111 4.170 0.001 0.000 0.287 136 I C 0.447 176.637 176.117 0.121 0.000 1.196 136 I CA -0.081 61.267 61.300 0.080 0.000 1.421 136 I CB 0.535 38.546 38.000 0.018 0.000 1.365 136 I HN -0.295 nan 8.210 nan 0.000 0.591 137 K N 6.251 126.683 120.400 0.054 0.000 2.185 137 K HA 0.572 4.893 4.320 0.001 0.000 0.269 137 K C -1.687 174.902 176.600 -0.018 0.000 0.987 137 K CA -0.671 55.651 56.287 0.059 0.000 0.865 137 K CB 1.093 33.609 32.500 0.028 0.000 1.090 137 K HN 0.478 nan 8.250 nan 0.000 0.450 138 V N 6.237 126.148 119.914 -0.005 0.000 2.459 138 V HA 0.429 4.549 4.120 0.001 0.000 0.295 138 V C -0.314 175.737 176.094 -0.072 0.000 1.029 138 V CA -0.793 61.457 62.300 -0.082 0.000 0.874 138 V CB 1.405 33.145 31.823 -0.140 0.000 0.985 138 V HN 0.702 nan 8.190 nan 0.000 0.438 139 I N 3.891 124.366 120.570 -0.160 0.000 2.389 139 I HA 0.679 4.850 4.170 0.001 0.000 0.288 139 I C 0.219 176.164 176.117 -0.287 0.000 0.999 139 I CA -0.478 60.723 61.300 -0.165 0.000 1.129 139 I CB 1.862 39.714 38.000 -0.247 0.000 1.288 139 I HN 0.664 nan 8.210 nan 0.000 0.444 140 A N 7.946 130.608 122.820 -0.264 0.000 2.508 140 A HA 0.588 4.909 4.320 0.001 0.000 0.336 140 A C -2.017 175.323 177.584 -0.406 0.000 1.360 140 A CA -1.469 50.312 52.037 -0.425 0.000 0.841 140 A CB 0.204 19.056 19.000 -0.247 0.000 1.136 140 A HN 0.469 nan 8.150 nan 0.000 0.489 141 P HA -0.197 nan 4.420 nan 0.000 0.216 141 P C 0.861 177.117 177.300 -1.740 0.000 1.154 141 P CA 1.422 63.775 63.100 -1.246 0.000 0.865 141 P CB 0.028 30.874 31.700 -1.423 0.000 0.789 142 W N -0.171 120.292 121.300 -1.395 0.000 2.364 142 W HA -0.111 4.549 4.660 0.001 0.000 0.281 142 W C 2.278 178.440 176.519 -0.595 0.000 1.219 142 W CA 1.057 57.756 57.345 -1.076 0.000 1.220 142 W CB -0.514 28.666 29.460 -0.466 0.000 1.127 142 W HN -0.071 nan 8.180 nan 0.000 0.556 143 R N -0.339 120.019 120.500 -0.236 0.000 2.300 143 R HA 0.049 4.390 4.340 0.001 0.000 0.199 143 R C 1.206 177.453 176.300 -0.088 0.000 0.920 143 R CA 0.683 56.733 56.100 -0.082 0.000 1.046 143 R CB 0.073 30.361 30.300 -0.020 0.000 0.984 143 R HN 0.339 nan 8.270 nan 0.000 0.493 144 E N -0.269 119.804 120.200 -0.211 0.000 2.391 144 E HA 0.004 4.355 4.350 0.001 0.000 0.206 144 E C 0.036 176.677 176.600 0.069 0.000 0.851 144 E CA -0.232 56.152 56.400 -0.027 0.000 1.059 144 E CB 0.088 29.861 29.700 0.121 0.000 1.065 144 E HN 0.107 nan 8.360 nan 0.000 0.512 145 W N 1.700 122.823 121.300 -0.295 0.000 1.992 145 W HA 0.247 4.908 4.660 0.002 0.000 0.360 145 W C 0.649 177.011 176.519 -0.262 0.000 1.369 145 W CA -0.752 56.384 57.345 -0.349 0.000 1.403 145 W CB -0.317 28.529 29.460 -1.023 0.000 1.215 145 W HN -0.266 nan 8.180 nan 0.000 0.643 146 S N -0.386 115.261 115.700 -0.089 0.000 2.554 146 S HA 0.243 4.714 4.470 0.001 0.000 0.226 146 S C 0.098 174.542 174.600 -0.259 0.000 0.980 146 S CA -0.621 57.503 58.200 -0.127 0.000 0.939 146 S CB -0.878 62.264 63.200 -0.098 0.000 0.832 146 S HN 0.314 nan 8.310 nan 0.000 0.486 147 F N 2.824 122.501 119.950 -0.455 0.000 2.629 147 F HA 0.042 4.570 4.527 0.001 0.000 0.377 147 F C 1.371 177.021 175.800 -0.250 0.000 1.101 147 F CA 0.195 57.880 58.000 -0.524 0.000 1.301 147 F CB 0.299 38.689 39.000 -1.017 0.000 1.062 147 F HN 0.152 nan 8.300 nan 0.000 0.583 148 Q N 2.513 122.340 119.800 0.046 0.000 2.490 148 Q HA 0.445 4.786 4.340 0.001 0.000 0.397 148 Q C -0.014 176.011 176.000 0.041 0.000 0.937 148 Q CA -0.469 55.363 55.803 0.049 0.000 1.108 148 Q CB 1.264 30.023 28.738 0.035 0.000 1.336 148 Q HN 0.895 nan 8.270 nan 0.000 0.410 149 G N 0.220 109.039 108.800 0.032 0.000 2.326 149 G HA2 -0.101 3.860 3.960 0.001 0.000 0.413 149 G HA3 -0.101 3.860 3.960 0.001 0.000 0.413 149 G C -0.574 174.297 174.900 -0.049 0.000 1.444 149 G CA -0.925 44.184 45.100 0.016 0.000 1.002 149 G HN 0.192 nan 8.290 nan 0.000 0.649 150 R N 0.407 120.891 120.500 -0.027 0.000 2.092 150 R HA 0.050 4.391 4.340 0.001 0.000 0.231 150 R C 2.305 178.545 176.300 -0.099 0.000 1.119 150 R CA 2.238 58.300 56.100 -0.063 0.000 0.970 150 R CB -0.415 29.879 30.300 -0.010 0.000 0.864 150 R HN 0.479 nan 8.270 nan 0.000 0.440 151 K N 0.409 120.772 120.400 -0.062 0.000 2.097 151 K HA -0.100 4.221 4.320 0.001 0.000 0.206 151 K C 1.937 178.494 176.600 -0.071 0.000 1.049 151 K CA 1.720 57.976 56.287 -0.053 0.000 0.933 151 K CB -0.285 32.199 32.500 -0.025 0.000 0.717 151 K HN 0.383 nan 8.250 nan 0.000 0.442 152 E N 0.449 120.600 120.200 -0.082 0.000 2.150 152 E HA -0.094 4.256 4.350 0.001 0.000 0.193 152 E C 1.824 178.291 176.600 -0.223 0.000 0.985 152 E CA 0.801 57.162 56.400 -0.065 0.000 0.814 152 E CB 0.032 29.740 29.700 0.014 0.000 0.752 152 E HN 0.282 nan 8.360 nan 0.000 0.466 153 M N -0.065 119.260 119.600 -0.460 0.000 2.132 153 M HA -0.122 4.359 4.480 0.001 0.000 0.263 153 M C 2.124 178.218 176.300 -0.343 0.000 1.065 153 M CA 1.056 55.882 55.300 -0.792 0.000 1.122 153 M CB -0.090 32.041 32.600 -0.782 0.000 1.365 153 M HN 0.158 nan 8.290 nan 0.000 0.411 154 I N 0.322 120.779 120.570 -0.188 0.000 2.252 154 I HA -0.218 3.953 4.170 0.001 0.000 0.245 154 I C 2.631 178.728 176.117 -0.033 0.000 1.102 154 I CA 1.375 62.623 61.300 -0.087 0.000 1.385 154 I CB -0.493 37.471 38.000 -0.060 0.000 1.064 154 I HN 0.205 nan 8.210 nan 0.000 0.414 155 A N -0.429 122.380 122.820 -0.018 0.000 1.933 155 A HA -0.286 4.035 4.320 0.001 0.000 0.218 155 A C 2.342 179.982 177.584 0.092 0.000 1.175 155 A CA 1.678 53.733 52.037 0.030 0.000 0.628 155 A CB -1.097 17.926 19.000 0.039 0.000 0.814 155 A HN 0.537 nan 8.150 nan 0.000 0.444 156 Y N 0.542 120.829 120.300 -0.021 0.000 2.181 156 Y HA -0.059 4.492 4.550 0.001 0.000 0.288 156 Y C 2.613 178.605 175.900 0.154 0.000 1.146 156 Y CA 1.257 59.416 58.100 0.099 0.000 1.164 156 Y CB -0.456 38.028 38.460 0.041 0.000 0.982 156 Y HN 0.311 nan 8.280 nan 0.000 0.515 157 A N 0.415 123.292 122.820 0.094 0.000 1.855 157 A HA -0.191 4.130 4.320 0.001 0.000 0.215 157 A C 2.083 179.677 177.584 0.016 0.000 1.191 157 A CA 1.845 53.899 52.037 0.030 0.000 0.613 157 A CB -0.823 18.191 19.000 0.023 0.000 0.829 157 A HN 0.603 nan 8.150 nan 0.000 0.442 158 E N -0.281 119.923 120.200 0.007 0.000 2.160 158 E HA -0.172 4.179 4.350 0.001 0.000 0.195 158 E C 2.157 178.741 176.600 -0.027 0.000 0.991 158 E CA 0.962 57.358 56.400 -0.007 0.000 0.810 158 E CB -0.275 29.420 29.700 -0.009 0.000 0.742 158 E HN 0.627 nan 8.360 nan 0.000 0.466 159 A N 0.540 123.338 122.820 -0.036 0.000 2.014 159 A HA -0.127 4.194 4.320 0.001 0.000 0.218 159 A C 1.221 178.660 177.584 -0.241 0.000 1.163 159 A CA 1.133 53.100 52.037 -0.117 0.000 0.652 159 A CB -0.357 18.577 19.000 -0.109 0.000 0.808 159 A HN 0.197 nan 8.150 nan 0.000 0.449 160 H N -1.718 117.228 119.070 -0.206 0.000 2.520 160 H HA 0.370 4.927 4.556 0.001 0.000 0.284 160 H C 1.502 176.769 175.328 -0.101 0.000 1.037 160 H CA 0.454 56.387 56.048 -0.192 0.000 1.168 160 H CB 0.336 29.919 29.762 -0.299 0.000 1.497 160 H HN 0.540 nan 8.280 nan 0.000 0.547 161 G N 0.721 109.520 108.800 -0.001 0.000 2.179 161 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 161 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 161 G C 0.320 175.233 174.900 0.021 0.000 0.977 161 G CA 0.133 45.235 45.100 0.002 0.000 0.641 161 G HN 0.364 nan 8.290 nan 0.000 0.533 162 I N 3.629 124.221 120.570 0.037 0.000 2.517 162 I HA 0.198 4.369 4.170 0.001 0.000 0.285 162 I C -1.186 174.947 176.117 0.027 0.000 1.106 162 I CA -1.678 59.648 61.300 0.043 0.000 1.402 162 I CB 0.646 38.680 38.000 0.057 0.000 1.399 162 I HN -0.025 nan 8.210 nan 0.000 0.535 163 P HA 0.110 nan 4.420 nan 0.000 0.269 163 P C -0.626 176.680 177.300 0.010 0.000 1.209 163 P CA -0.052 63.056 63.100 0.014 0.000 0.776 163 P CB 1.091 32.799 31.700 0.014 0.000 0.876 164 V N 3.531 123.445 119.914 0.001 0.000 2.864 164 V HA 0.349 4.470 4.120 0.001 0.000 0.314 164 V C -1.540 174.548 176.094 -0.010 0.000 1.073 164 V CA -1.410 60.887 62.300 -0.006 0.000 0.956 164 V CB 0.697 32.513 31.823 -0.012 0.000 1.023 164 V HN 0.599 nan 8.190 nan 0.000 0.435 172 Y N -2.630 117.650 120.300 -0.032 0.000 2.732 172 Y HA 0.719 5.270 4.550 0.001 0.000 0.342 172 Y C -0.924 174.957 175.900 -0.031 0.000 1.203 172 Y CA -1.379 56.701 58.100 -0.033 0.000 1.092 172 Y CB 0.255 38.697 38.460 -0.030 0.000 1.345 172 Y HN -0.120 nan 8.280 nan 0.000 0.458 173 S N 1.797 117.611 115.700 0.190 0.000 2.549 173 S HA 0.861 5.331 4.470 0.001 0.000 0.297 173 S C -1.003 173.625 174.600 0.046 0.000 1.115 173 S CA -0.594 57.651 58.200 0.075 0.000 1.059 173 S CB 0.540 63.738 63.200 -0.002 0.000 1.046 173 S HN 0.661 nan 8.310 nan 0.000 0.506 174 M N 2.894 122.474 119.600 -0.033 0.000 2.530 174 M HA 0.458 4.939 4.480 0.001 0.000 0.307 174 M C -1.633 174.565 176.300 -0.170 0.000 1.161 174 M CA -0.725 54.457 55.300 -0.197 0.000 0.903 174 M CB 2.185 34.642 32.600 -0.238 0.000 1.711 174 M HN 0.634 nan 8.290 nan 0.000 0.451 175 D N 1.616 121.885 120.400 -0.218 0.000 2.686 175 D HA 0.703 5.343 4.640 0.001 0.000 0.249 175 D C -1.760 174.483 176.300 -0.094 0.000 1.260 175 D CA -0.100 53.839 54.000 -0.102 0.000 0.910 175 D CB 1.535 42.327 40.800 -0.013 0.000 1.323 175 D HN 0.711 nan 8.370 nan 0.000 0.561 176 A N 3.440 126.224 122.820 -0.060 0.000 2.386 176 A HA 0.849 5.170 4.320 0.001 0.000 0.311 176 A C -0.627 176.962 177.584 0.009 0.000 1.068 176 A CA -0.683 51.348 52.037 -0.010 0.000 0.743 176 A CB 1.155 20.128 19.000 -0.046 0.000 1.258 176 A HN 0.726 nan 8.150 nan 0.000 0.429 177 N N -0.178 118.567 118.700 0.074 0.000 3.277 177 N HA 0.234 4.975 4.740 0.001 0.000 0.278 177 N C 0.045 175.629 175.510 0.124 0.000 1.544 177 N CA -0.828 52.228 53.050 0.011 0.000 0.869 177 N CB 0.144 38.542 38.487 -0.149 0.000 1.584 177 N HN 0.278 nan 8.380 nan 0.000 0.564 178 L N -0.379 120.948 121.223 0.174 0.000 2.187 178 L HA -0.031 4.310 4.340 0.001 0.000 0.213 178 L C 1.709 178.714 176.870 0.225 0.000 1.100 178 L CA 1.203 56.177 54.840 0.223 0.000 0.765 178 L CB -0.303 41.925 42.059 0.280 0.000 0.904 178 L HN 0.564 nan 8.230 nan 0.000 0.437 179 L N -1.503 119.888 121.223 0.279 0.000 2.162 179 L HA -0.040 4.301 4.340 0.001 0.000 0.205 179 L C 0.959 177.965 176.870 0.226 0.000 1.086 179 L CA 0.532 55.472 54.840 0.166 0.000 0.778 179 L CB 0.075 42.176 42.059 0.070 0.000 0.928 179 L HN 0.496 nan 8.230 nan 0.000 0.446 180 H N -2.439 116.722 119.070 0.151 0.000 2.917 180 H HA 0.435 4.992 4.556 0.002 0.000 0.269 180 H C -1.382 174.025 175.328 0.132 0.000 1.488 180 H CA -1.344 54.803 56.048 0.164 0.000 1.173 180 H CB 0.823 30.717 29.762 0.219 0.000 1.868 180 H HN -0.108 nan 8.280 nan 0.000 0.600 181 I N 1.490 122.036 120.570 -0.041 0.000 2.512 181 I HA 0.318 4.489 4.170 0.001 0.000 0.287 181 I C -0.372 175.366 176.117 -0.632 0.000 1.069 181 I CA -0.736 60.385 61.300 -0.299 0.000 1.056 181 I CB 2.014 39.917 38.000 -0.163 0.000 1.229 181 I HN 0.653 nan 8.210 nan 0.000 0.429 182 S N 6.051 121.312 115.700 -0.733 0.000 2.525 182 S HA 0.670 5.140 4.470 0.001 0.000 0.290 182 S C -1.390 172.791 174.600 -0.698 0.000 1.152 182 S CA -0.194 57.683 58.200 -0.539 0.000 1.072 182 S CB 0.733 63.855 63.200 -0.131 0.000 1.027 182 S HN 0.367 nan 8.310 nan 0.000 0.500 183 Y N 2.189 122.225 120.300 -0.439 0.000 2.346 183 Y HA 0.521 5.072 4.550 0.002 0.000 0.332 183 Y C 0.111 175.793 175.900 -0.362 0.000 0.985 183 Y CA -0.713 57.154 58.100 -0.389 0.000 1.112 183 Y CB 1.629 39.738 38.460 -0.585 0.000 1.170 183 Y HN 0.845 nan 8.280 nan 0.000 0.447 184 E N 1.066 121.220 120.200 -0.075 0.000 2.430 184 E HA 0.785 5.135 4.350 0.001 0.000 0.279 184 E C -0.332 176.276 176.600 0.012 0.000 1.003 184 E CA -1.247 55.114 56.400 -0.065 0.000 0.801 184 E CB 2.343 31.989 29.700 -0.089 0.000 1.313 184 E HN 0.872 nan 8.360 nan 0.000 0.459 185 G N -0.431 108.374 108.800 0.007 0.000 2.685 185 G HA2 0.260 4.221 3.960 0.001 0.000 0.387 185 G HA3 0.260 4.221 3.960 0.001 0.000 0.387 185 G C 0.676 175.606 174.900 0.051 0.000 1.324 185 G CA 0.123 45.237 45.100 0.023 0.000 0.878 185 G HN 1.734 nan 8.290 nan 0.000 0.527 186 G N -1.585 107.234 108.800 0.033 0.000 2.672 186 G HA2 -0.039 3.922 3.960 0.001 0.000 0.324 186 G HA3 -0.039 3.922 3.960 0.001 0.000 0.324 186 G C 2.031 176.954 174.900 0.037 0.000 1.286 186 G CA 2.894 48.013 45.100 0.031 0.000 1.004 186 G HN 2.550 nan 8.290 nan 0.000 0.548 187 V N -0.665 119.281 119.914 0.053 0.000 2.867 187 V HA 0.143 4.264 4.120 0.001 0.000 0.260 187 V C 2.616 178.723 176.094 0.021 0.000 1.099 187 V CA 2.593 64.916 62.300 0.039 0.000 1.122 187 V CB -0.549 31.303 31.823 0.049 0.000 0.708 187 V HN 0.588 nan 8.190 nan 0.000 0.490 188 L N -0.158 121.076 121.223 0.019 0.000 2.554 188 L HA 0.111 4.452 4.340 0.001 0.000 0.226 188 L C 2.488 179.351 176.870 -0.012 0.000 1.137 188 L CA 0.733 55.556 54.840 -0.029 0.000 0.863 188 L CB -0.529 41.489 42.059 -0.068 0.000 0.985 188 L HN 0.354 nan 8.230 nan 0.000 0.451 189 E N -0.147 120.059 120.200 0.009 0.000 2.409 189 E HA -0.152 4.199 4.350 0.001 0.000 0.198 189 E C 0.279 176.897 176.600 0.029 0.000 1.024 189 E CA 0.309 56.719 56.400 0.017 0.000 0.861 189 E CB 0.053 29.764 29.700 0.019 0.000 0.788 189 E HN 0.243 nan 8.360 nan 0.000 0.521 190 D N 0.681 121.102 120.400 0.034 0.000 2.443 190 D HA 0.042 4.683 4.640 0.001 0.000 0.221 190 D C -1.610 174.735 176.300 0.076 0.000 1.097 190 D CA -2.624 51.414 54.000 0.063 0.000 0.865 190 D CB 1.137 41.980 40.800 0.073 0.000 1.034 190 D HN -0.139 nan 8.370 nan 0.000 0.511 191 P HA -0.108 nan 4.420 nan 0.000 0.226 191 P C 1.048 178.450 177.300 0.170 0.000 1.146 191 P CA 0.578 63.739 63.100 0.100 0.000 0.773 191 P CB 0.038 31.799 31.700 0.101 0.000 0.772 192 W N 0.657 121.946 121.300 -0.018 0.000 3.077 192 W HA 0.369 5.030 4.660 0.001 0.000 0.266 192 W C -0.307 176.199 176.519 -0.022 0.000 1.300 192 W CA 0.022 57.357 57.345 -0.017 0.000 1.586 192 W CB 0.486 29.939 29.460 -0.011 0.000 1.103 192 W HN -0.181 nan 8.180 nan 0.000 0.652 193 A N 2.134 124.949 122.820 -0.009 0.000 2.276 193 A HA 0.202 4.523 4.320 0.001 0.000 0.300 193 A C -0.100 177.398 177.584 -0.143 0.000 1.235 193 A CA -0.331 51.649 52.037 -0.096 0.000 0.867 193 A CB 0.289 19.280 19.000 -0.014 0.000 1.137 193 A HN 0.359 nan 8.150 nan 0.000 0.527 194 E N 3.100 123.185 120.200 -0.191 0.000 2.415 194 E HA 0.210 4.561 4.350 0.001 0.000 0.262 194 E C -2.084 174.430 176.600 -0.144 0.000 1.038 194 E CA -1.275 55.022 56.400 -0.170 0.000 0.921 194 E CB 0.334 29.934 29.700 -0.168 0.000 0.950 194 E HN 0.427 nan 8.360 nan 0.000 0.438 195 P HA 0.083 nan 4.420 nan 0.000 0.269 195 P C -2.436 174.747 177.300 -0.195 0.000 1.215 195 P CA -0.820 62.144 63.100 -0.226 0.000 0.780 195 P CB 0.019 31.505 31.700 -0.358 0.000 0.898 196 P HA 0.050 nan 4.420 nan 0.000 0.268 196 P C -0.482 176.738 177.300 -0.134 0.000 1.205 196 P CA 0.047 63.078 63.100 -0.115 0.000 0.771 196 P CB 0.634 32.312 31.700 -0.037 0.000 0.858 197 K N 1.099 121.452 120.400 -0.078 0.000 2.518 197 K HA 0.174 4.495 4.320 0.001 0.000 0.276 197 K C 1.347 177.913 176.600 -0.057 0.000 0.974 197 K CA 0.898 57.151 56.287 -0.057 0.000 0.986 197 K CB -0.465 32.015 32.500 -0.034 0.000 0.901 197 K HN 0.835 nan 8.250 nan 0.000 0.497 198 G N 2.154 110.930 108.800 -0.040 0.000 2.166 198 G HA2 -0.340 3.621 3.960 0.001 0.000 0.260 198 G HA3 -0.340 3.621 3.960 0.001 0.000 0.260 198 G C 0.609 175.465 174.900 -0.073 0.000 0.986 198 G CA 0.801 45.886 45.100 -0.027 0.000 0.683 198 G HN 0.740 nan 8.290 nan 0.000 0.527 199 M N -0.855 118.606 119.600 -0.232 0.000 2.156 199 M HA 0.308 4.789 4.480 0.001 0.000 0.264 199 M C 1.054 177.015 176.300 -0.565 0.000 1.067 199 M CA 0.747 55.760 55.300 -0.478 0.000 1.131 199 M CB 0.066 32.099 32.600 -0.946 0.000 1.368 199 M HN 0.155 nan 8.290 nan 0.000 0.416 200 F N 0.655 120.381 119.950 -0.374 0.000 2.563 200 F HA 0.044 4.572 4.527 0.001 0.000 0.363 200 F C 1.448 177.228 175.800 -0.033 0.000 1.123 200 F CA 0.292 58.138 58.000 -0.255 0.000 1.307 200 F CB 0.470 39.352 39.000 -0.196 0.000 1.115 200 F HN 0.060 nan 8.300 nan 0.000 0.592 201 R N 1.430 122.112 120.500 0.304 0.000 2.243 201 R HA 0.176 4.517 4.340 0.001 0.000 0.193 201 R C 1.785 178.185 176.300 0.167 0.000 0.933 201 R CA 0.139 56.364 56.100 0.207 0.000 1.105 201 R CB 0.013 30.437 30.300 0.207 0.000 1.169 201 R HN 0.671 nan 8.270 nan 0.000 0.599 202 M N 1.204 120.925 119.600 0.201 0.000 2.419 202 M HA 0.021 4.501 4.480 0.001 0.000 0.264 202 M C -0.108 176.248 176.300 0.092 0.000 1.082 202 M CA 1.008 56.391 55.300 0.139 0.000 1.119 202 M CB 0.498 33.194 32.600 0.159 0.000 1.398 202 M HN 0.073 nan 8.290 nan 0.000 0.453 203 T N -1.889 112.712 114.554 0.077 0.000 2.863 203 T HA 0.367 4.718 4.350 0.001 0.000 0.285 203 T C -0.715 173.970 174.700 -0.025 0.000 1.009 203 T CA -0.931 61.162 62.100 -0.012 0.000 0.989 203 T CB 2.130 70.928 68.868 -0.116 0.000 1.004 203 T HN 0.278 nan 8.240 nan 0.000 0.455 204 Q N 1.479 121.251 119.800 -0.048 0.000 2.293 204 Q HA 0.201 4.542 4.340 0.001 0.000 0.251 204 Q C -0.613 175.337 176.000 -0.083 0.000 0.930 204 Q CA -0.576 55.196 55.803 -0.051 0.000 0.893 204 Q CB 0.508 29.205 28.738 -0.069 0.000 1.215 204 Q HN 0.612 nan 8.270 nan 0.000 0.425 205 D N 5.032 125.395 120.400 -0.060 0.000 2.488 205 D HA -0.020 4.621 4.640 0.001 0.000 0.238 205 D C -1.738 174.504 176.300 -0.097 0.000 1.138 205 D CA -1.251 52.703 54.000 -0.076 0.000 0.873 205 D CB 1.034 41.811 40.800 -0.038 0.000 1.183 205 D HN 0.473 nan 8.370 nan 0.000 0.458 206 P HA -0.140 nan 4.420 nan 0.000 0.218 206 P C 0.826 178.054 177.300 -0.120 0.000 1.148 206 P CA 1.159 64.181 63.100 -0.130 0.000 0.822 206 P CB 0.351 31.971 31.700 -0.133 0.000 0.784 207 E N -0.620 119.527 120.200 -0.089 0.000 2.204 207 E HA -0.159 4.192 4.350 0.001 0.000 0.195 207 E C 1.540 178.102 176.600 -0.064 0.000 0.990 207 E CA 0.951 57.309 56.400 -0.069 0.000 0.821 207 E CB -0.464 29.206 29.700 -0.049 0.000 0.750 207 E HN 0.361 nan 8.360 nan 0.000 0.477 208 E N -0.256 119.904 120.200 -0.067 0.000 2.476 208 E HA 0.222 4.573 4.350 0.001 0.000 0.199 208 E C 0.407 176.960 176.600 -0.078 0.000 1.021 208 E CA 0.137 56.501 56.400 -0.059 0.000 0.907 208 E CB 0.328 30.000 29.700 -0.047 0.000 0.974 208 E HN 0.154 nan 8.360 nan 0.000 0.489 209 A N 3.024 125.780 122.820 -0.106 0.000 2.448 209 A HA 0.262 4.583 4.320 0.001 0.000 0.239 209 A C -2.191 175.328 177.584 -0.109 0.000 1.080 209 A CA -0.860 51.094 52.037 -0.138 0.000 0.779 209 A CB -0.471 18.441 19.000 -0.146 0.000 1.026 209 A HN -0.138 nan 8.150 nan 0.000 0.499 210 P HA 0.027 nan 4.420 nan 0.000 0.265 210 P C -0.194 177.157 177.300 0.085 0.000 1.187 210 P CA 0.143 63.236 63.100 -0.011 0.000 0.766 210 P CB 0.436 32.131 31.700 -0.008 0.000 0.820 211 D N 0.984 121.454 120.400 0.117 0.000 2.347 211 D HA 0.024 4.665 4.640 0.001 0.000 0.213 211 D C 0.574 177.063 176.300 0.315 0.000 0.985 211 D CA 0.623 54.751 54.000 0.213 0.000 0.879 211 D CB 0.156 41.037 40.800 0.135 0.000 0.919 211 D HN 0.325 nan 8.370 nan 0.000 0.526 212 A N 2.446 125.411 122.820 0.242 0.000 2.260 212 A HA 0.450 4.771 4.320 0.001 0.000 0.308 212 A C -2.249 175.496 177.584 0.268 0.000 1.254 212 A CA -1.247 50.912 52.037 0.202 0.000 0.874 212 A CB 0.789 19.874 19.000 0.142 0.000 1.153 212 A HN -0.121 nan 8.150 nan 0.000 0.527 213 P HA 0.162 nan 4.420 nan 0.000 0.272 213 P C -0.570 176.711 177.300 -0.032 0.000 1.230 213 P CA -0.034 63.109 63.100 0.072 0.000 0.788 213 P CB 0.914 32.501 31.700 -0.188 0.000 0.949 214 E N 0.921 120.993 120.200 -0.215 0.000 2.222 214 E HA 0.328 4.678 4.350 0.001 0.000 0.267 214 E C -1.243 175.219 176.600 -0.229 0.000 0.884 214 E CA -0.723 55.608 56.400 -0.116 0.000 0.764 214 E CB 0.910 30.585 29.700 -0.041 0.000 1.169 214 E HN 0.297 nan 8.360 nan 0.000 0.413 215 Y N 1.844 122.138 120.300 -0.009 0.000 2.334 215 Y HA 0.483 5.034 4.550 0.001 0.000 0.328 215 Y C -0.104 175.804 175.900 0.012 0.000 1.130 215 Y CA -0.496 57.603 58.100 -0.001 0.000 1.163 215 Y CB 1.857 40.319 38.460 0.003 0.000 1.207 215 Y HN 0.258 nan 8.280 nan 0.000 0.471 216 V N 3.538 123.539 119.914 0.144 0.000 2.841 216 V HA 0.502 4.623 4.120 0.001 0.000 0.310 216 V C -1.266 174.893 176.094 0.108 0.000 1.090 216 V CA -0.613 61.751 62.300 0.107 0.000 0.930 216 V CB 2.090 33.955 31.823 0.071 0.000 1.014 216 V HN 0.866 nan 8.190 nan 0.000 0.425 217 E N 4.169 124.422 120.200 0.089 0.000 2.187 217 E HA 0.655 5.006 4.350 0.001 0.000 0.268 217 E C -1.517 175.122 176.600 0.066 0.000 0.896 217 E CA -0.682 55.768 56.400 0.083 0.000 0.766 217 E CB 2.508 32.250 29.700 0.070 0.000 1.142 217 E HN 0.533 nan 8.360 nan 0.000 0.408 218 V N 2.733 122.698 119.914 0.085 0.000 2.444 218 V HA 0.217 4.338 4.120 0.001 0.000 0.294 218 V C -0.160 175.976 176.094 0.071 0.000 1.022 218 V CA -0.758 61.565 62.300 0.038 0.000 0.850 218 V CB 1.578 33.433 31.823 0.054 0.000 0.992 218 V HN 0.663 nan 8.190 nan 0.000 0.426 219 E N 3.604 123.790 120.200 -0.024 0.000 2.227 219 E HA 0.518 4.869 4.350 0.001 0.000 0.282 219 E C -1.678 174.877 176.600 -0.076 0.000 1.015 219 E CA -0.456 55.966 56.400 0.037 0.000 0.823 219 E CB 1.014 30.728 29.700 0.022 0.000 1.081 219 E HN 0.496 nan 8.360 nan 0.000 0.396 220 F N 3.556 123.514 119.950 0.014 0.000 2.480 220 F HA 0.454 4.981 4.527 0.001 0.000 0.329 220 F C -0.553 175.299 175.800 0.087 0.000 1.091 220 F CA -0.765 57.233 58.000 -0.002 0.000 0.972 220 F CB 1.314 40.272 39.000 -0.070 0.000 1.150 220 F HN 0.386 nan 8.300 nan 0.000 0.467 221 F N 2.560 122.552 119.950 0.069 0.000 2.553 221 F HA 0.357 4.885 4.527 0.001 0.000 0.335 221 F C -0.022 175.794 175.800 0.028 0.000 1.148 221 F CA -1.016 57.005 58.000 0.035 0.000 0.963 221 F CB 0.866 39.869 39.000 0.005 0.000 1.217 221 F HN 0.707 nan 8.300 nan 0.000 0.441 222 E N 4.310 124.156 120.200 -0.590 0.000 2.228 222 E HA -0.232 4.119 4.350 0.001 0.000 0.213 222 E C 1.101 177.587 176.600 -0.189 0.000 1.282 222 E CA 0.933 57.056 56.400 -0.462 0.000 0.707 222 E CB -1.241 28.083 29.700 -0.627 0.000 1.150 222 E HN 1.276 nan 8.360 nan 0.000 0.362 223 G N -0.231 108.512 108.800 -0.095 0.000 2.253 223 G HA2 -0.276 3.685 3.960 0.001 0.000 0.251 223 G HA3 -0.276 3.685 3.960 0.001 0.000 0.251 223 G C -0.127 174.799 174.900 0.043 0.000 0.998 223 G CA 0.361 45.438 45.100 -0.038 0.000 0.621 223 G HN 0.397 nan 8.290 nan 0.000 0.524 224 D N 1.674 122.080 120.400 0.011 0.000 2.342 224 D HA 0.516 5.157 4.640 0.001 0.000 0.243 224 D C -2.553 173.521 176.300 -0.376 0.000 1.019 224 D CA -1.305 52.551 54.000 -0.240 0.000 0.864 224 D CB 2.369 43.060 40.800 -0.182 0.000 1.315 224 D HN 0.146 nan 8.370 nan 0.000 0.468 225 P HA 0.027 nan 4.420 nan 0.000 0.276 225 P C 0.576 177.647 177.300 -0.381 0.000 1.235 225 P CA -0.268 62.231 63.100 -1.000 0.000 0.772 225 P CB 1.342 32.424 31.700 -1.031 0.000 0.871 226 V N -0.113 119.654 119.914 -0.246 0.000 3.548 226 V HA 0.690 4.810 4.120 0.001 0.000 0.279 226 V C 0.334 176.393 176.094 -0.058 0.000 1.446 226 V CA 0.251 62.510 62.300 -0.069 0.000 1.023 226 V CB -0.037 31.780 31.823 -0.010 0.000 0.820 226 V HN 0.635 nan 8.190 nan 0.000 0.438 227 A N -0.207 122.558 122.820 -0.091 0.000 2.574 227 A HA 0.823 5.144 4.320 0.001 0.000 0.297 227 A C -1.340 176.215 177.584 -0.047 0.000 1.062 227 A CA -0.416 51.592 52.037 -0.048 0.000 0.686 227 A CB 2.207 21.190 19.000 -0.030 0.000 1.285 227 A HN 0.521 nan 8.150 nan 0.000 0.403 228 V N 2.658 122.563 119.914 -0.016 0.000 2.444 228 V HA 0.389 4.510 4.120 0.001 0.000 0.294 228 V C -0.106 175.999 176.094 0.018 0.000 1.022 228 V CA -0.722 61.580 62.300 0.002 0.000 0.850 228 V CB 1.340 33.171 31.823 0.013 0.000 0.992 228 V HN 0.965 nan 8.190 nan 0.000 0.426 229 N N 4.043 122.760 118.700 0.028 0.000 2.727 229 N HA -0.227 4.514 4.740 0.001 0.000 0.249 229 N C 1.234 176.757 175.510 0.022 0.000 1.048 229 N CA 1.543 54.613 53.050 0.033 0.000 0.714 229 N CB -1.037 37.475 38.487 0.041 0.000 0.959 229 N HN 1.548 nan 8.380 nan 0.000 0.544 230 G N -0.611 108.198 108.800 0.015 0.000 2.234 230 G HA2 -0.369 3.591 3.960 0.001 0.000 0.260 230 G HA3 -0.369 3.591 3.960 0.001 0.000 0.260 230 G C -0.157 174.745 174.900 0.003 0.000 0.987 230 G CA 0.684 45.789 45.100 0.008 0.000 0.625 230 G HN 0.664 nan 8.290 nan 0.000 0.532 231 E N 1.380 121.583 120.200 0.005 0.000 2.167 231 E HA 0.405 4.756 4.350 0.001 0.000 0.284 231 E C 0.540 177.139 176.600 -0.002 0.000 1.016 231 E CA -0.918 55.485 56.400 0.003 0.000 0.817 231 E CB 0.352 30.059 29.700 0.010 0.000 1.080 231 E HN 0.247 nan 8.360 nan 0.000 0.397 232 R N 4.346 124.841 120.500 -0.007 0.000 2.442 232 R HA 0.296 4.637 4.340 0.001 0.000 0.291 232 R C -0.273 176.027 176.300 -0.000 0.000 1.069 232 R CA 0.043 56.136 56.100 -0.012 0.000 1.022 232 R CB 0.124 30.412 30.300 -0.020 0.000 0.976 232 R HN 0.524 nan 8.270 nan 0.000 0.443 233 L N 0.925 122.152 121.223 0.006 0.000 2.409 233 L HA 0.297 4.637 4.340 0.001 0.000 0.262 233 L C 0.471 177.361 176.870 0.033 0.000 0.992 233 L CA -0.950 53.901 54.840 0.019 0.000 0.817 233 L CB 2.250 44.323 42.059 0.023 0.000 1.350 233 L HN 0.694 nan 8.230 nan 0.000 0.411 234 S N 0.880 116.597 115.700 0.028 0.000 2.589 234 S HA 0.261 4.732 4.470 0.001 0.000 0.265 234 S C -2.010 172.607 174.600 0.030 0.000 1.342 234 S CA -0.827 57.390 58.200 0.028 0.000 1.005 234 S CB 0.849 64.056 63.200 0.013 0.000 0.909 234 S HN 0.430 nan 8.310 nan 0.000 0.555 235 P HA -0.166 nan 4.420 nan 0.000 0.214 235 P C 1.659 178.876 177.300 -0.138 0.000 1.169 235 P CA 2.330 65.336 63.100 -0.156 0.000 0.908 235 P CB -0.290 31.086 31.700 -0.539 0.000 0.791 236 A N -0.555 122.196 122.820 -0.114 0.000 1.930 236 A HA -0.073 4.248 4.320 0.001 0.000 0.217 236 A C 2.300 179.886 177.584 0.004 0.000 1.175 236 A CA 2.018 54.026 52.037 -0.048 0.000 0.627 236 A CB -1.588 17.405 19.000 -0.012 0.000 0.815 236 A HN 0.200 nan 8.150 nan 0.000 0.443 237 A N -0.557 122.269 122.820 0.011 0.000 1.969 237 A HA 0.038 4.359 4.320 0.001 0.000 0.218 237 A C 2.163 179.769 177.584 0.037 0.000 1.169 237 A CA 1.362 53.414 52.037 0.025 0.000 0.635 237 A CB -0.508 18.506 19.000 0.022 0.000 0.810 237 A HN 0.587 nan 8.150 nan 0.000 0.445 238 L N -0.856 120.395 121.223 0.047 0.000 2.056 238 L HA -0.049 4.292 4.340 0.001 0.000 0.207 238 L C 2.380 179.294 176.870 0.073 0.000 1.078 238 L CA 1.167 56.045 54.840 0.063 0.000 0.749 238 L CB -0.154 41.963 42.059 0.097 0.000 0.901 238 L HN 0.435 nan 8.230 nan 0.000 0.433 239 L N -0.439 120.834 121.223 0.084 0.000 2.046 239 L HA -0.252 4.089 4.340 0.001 0.000 0.208 239 L C 2.627 179.541 176.870 0.073 0.000 1.077 239 L CA 1.574 56.467 54.840 0.087 0.000 0.747 239 L CB -0.243 41.856 42.059 0.067 0.000 0.896 239 L HN 0.458 nan 8.230 nan 0.000 0.432 240 Q N 0.419 120.256 119.800 0.061 0.000 2.061 240 Q HA -0.292 4.049 4.340 0.001 0.000 0.204 240 Q C 2.151 178.186 176.000 0.058 0.000 0.984 240 Q CA 2.077 57.915 55.803 0.059 0.000 0.846 240 Q CB -0.260 28.507 28.738 0.048 0.000 0.902 240 Q HN 0.214 nan 8.270 nan 0.000 0.421 241 R N -0.058 120.473 120.500 0.053 0.000 2.083 241 R HA -0.060 4.280 4.340 0.001 0.000 0.237 241 R C 2.156 178.493 176.300 0.061 0.000 1.137 241 R CA 1.862 57.993 56.100 0.052 0.000 0.951 241 R CB -0.842 29.484 30.300 0.044 0.000 0.851 241 R HN 0.469 nan 8.270 nan 0.000 0.434 242 L N 0.509 121.770 121.223 0.064 0.000 2.201 242 L HA -0.122 4.219 4.340 0.001 0.000 0.212 242 L C 1.752 178.670 176.870 0.081 0.000 1.105 242 L CA 0.958 55.842 54.840 0.073 0.000 0.775 242 L CB -0.531 41.571 42.059 0.072 0.000 0.913 242 L HN 0.256 nan 8.230 nan 0.000 0.440 243 N N 0.263 119.011 118.700 0.080 0.000 2.142 243 N HA -0.155 4.586 4.740 0.001 0.000 0.186 243 N C 1.729 177.283 175.510 0.074 0.000 1.023 243 N CA 1.129 54.228 53.050 0.083 0.000 0.852 243 N CB -0.038 38.500 38.487 0.085 0.000 0.998 243 N HN 0.413 nan 8.380 nan 0.000 0.424 244 E N 0.558 120.798 120.200 0.067 0.000 2.051 244 E HA -0.063 4.288 4.350 0.001 0.000 0.192 244 E C 2.026 178.667 176.600 0.068 0.000 0.991 244 E CA 0.757 57.192 56.400 0.058 0.000 0.799 244 E CB -0.054 29.676 29.700 0.051 0.000 0.748 244 E HN 0.310 nan 8.360 nan 0.000 0.449 245 I N 0.754 121.377 120.570 0.089 0.000 2.133 245 I HA -0.180 3.991 4.170 0.001 0.000 0.238 245 I C 2.595 178.825 176.117 0.189 0.000 1.074 245 I CA 1.319 62.700 61.300 0.135 0.000 1.342 245 I CB -0.630 37.443 38.000 0.121 0.000 1.053 245 I HN 0.180 nan 8.210 nan 0.000 0.404 246 G N 0.334 109.217 108.800 0.137 0.000 2.422 246 G HA2 -0.169 3.792 3.960 0.001 0.000 0.218 246 G HA3 -0.169 3.792 3.960 0.001 0.000 0.218 246 G C 1.702 176.665 174.900 0.106 0.000 1.146 246 G CA 0.812 45.991 45.100 0.132 0.000 0.769 246 G HN 0.514 nan 8.290 nan 0.000 0.547 247 G N 0.421 109.265 108.800 0.073 0.000 2.418 247 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 247 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 247 G C 1.776 176.672 174.900 -0.007 0.000 1.158 247 G CA 0.979 46.099 45.100 0.035 0.000 0.771 247 G HN 0.476 nan 8.290 nan 0.000 0.545 248 R N -0.332 120.151 120.500 -0.028 0.000 2.127 248 R HA -0.107 4.234 4.340 0.001 0.000 0.238 248 R C 1.882 178.013 176.300 -0.283 0.000 1.134 248 R CA 1.455 57.461 56.100 -0.156 0.000 0.975 248 R CB -0.263 29.911 30.300 -0.210 0.000 0.865 248 R HN 0.528 nan 8.270 nan 0.000 0.447 249 H N -1.680 117.375 119.070 -0.025 0.000 2.539 249 H HA 0.245 4.802 4.556 0.001 0.000 0.269 249 H C 0.823 176.099 175.328 -0.087 0.000 0.980 249 H CA 0.598 56.615 56.048 -0.051 0.000 1.152 249 H CB 0.990 30.736 29.762 -0.026 0.000 1.407 249 H HN 0.485 nan 8.280 nan 0.000 0.564 250 G N 0.814 109.599 108.800 -0.024 0.000 2.198 250 G HA2 -0.289 3.672 3.960 0.001 0.000 0.260 250 G HA3 -0.289 3.672 3.960 0.001 0.000 0.260 250 G C 0.091 174.932 174.900 -0.098 0.000 1.025 250 G CA 0.360 45.403 45.100 -0.094 0.000 0.769 250 G HN 0.278 nan 8.290 nan 0.000 0.507 251 V N -0.252 119.644 119.914 -0.030 0.000 2.775 251 V HA 0.589 4.709 4.120 0.001 0.000 0.299 251 V C 1.699 177.776 176.094 -0.028 0.000 1.062 251 V CA 1.526 63.813 62.300 -0.022 0.000 1.063 251 V CB 1.330 33.170 31.823 0.029 0.000 0.994 251 V HN 2.020 nan 8.190 nan 0.000 0.483 252 G N 4.315 113.104 108.800 -0.017 0.000 2.171 252 G HA2 -0.206 3.755 3.960 0.001 0.000 0.238 252 G HA3 -0.206 3.755 3.960 0.001 0.000 0.238 252 G C 0.049 174.946 174.900 -0.005 0.000 1.039 252 G CA -0.153 44.957 45.100 0.017 0.000 0.759 252 G HN 0.645 nan 8.290 nan 0.000 0.501 253 R N -0.645 119.799 120.500 -0.094 0.000 2.312 253 R HA 0.644 4.985 4.340 0.001 0.000 0.311 253 R C -0.307 175.990 176.300 -0.005 0.000 1.004 253 R CA -0.587 55.431 56.100 -0.137 0.000 0.902 253 R CB 2.117 32.161 30.300 -0.426 0.000 1.073 253 R HN 0.097 nan 8.270 nan 0.000 0.457 254 V N 2.154 122.135 119.914 0.112 0.000 2.789 254 V HA 0.258 4.378 4.120 0.001 0.000 0.311 254 V C -0.879 175.277 176.094 0.103 0.000 1.073 254 V CA -0.697 61.669 62.300 0.109 0.000 0.921 254 V CB 2.303 34.274 31.823 0.247 0.000 1.009 254 V HN 0.713 nan 8.190 nan 0.000 0.426 255 D N 4.407 124.791 120.400 -0.027 0.000 2.476 255 D HA 0.537 5.178 4.640 0.001 0.000 0.251 255 D C -0.952 175.299 176.300 -0.082 0.000 1.291 255 D CA -0.098 53.873 54.000 -0.048 0.000 0.939 255 D CB 1.408 42.164 40.800 -0.074 0.000 1.221 255 D HN 0.601 nan 8.370 nan 0.000 0.567 256 I N -0.508 120.060 120.570 -0.003 0.000 3.074 256 I HA 0.637 4.808 4.170 0.001 0.000 0.310 256 I C -1.293 174.854 176.117 0.051 0.000 1.153 256 I CA -1.065 60.246 61.300 0.019 0.000 0.993 256 I CB 2.405 40.467 38.000 0.102 0.000 1.237 256 I HN -0.076 nan 8.210 nan 0.000 0.443 257 V N 3.607 123.556 119.914 0.058 0.000 2.334 257 V HA 0.329 4.450 4.120 0.001 0.000 0.281 257 V C 0.067 176.217 176.094 0.093 0.000 1.016 257 V CA -0.307 62.035 62.300 0.070 0.000 0.832 257 V CB 0.940 32.800 31.823 0.062 0.000 0.999 257 V HN 0.900 nan 8.190 nan 0.000 0.439 258 E N 4.641 124.917 120.200 0.126 0.000 2.243 258 E HA 0.456 4.807 4.350 0.001 0.000 0.260 258 E C -0.983 175.735 176.600 0.197 0.000 0.985 258 E CA -1.048 55.445 56.400 0.155 0.000 0.858 258 E CB 1.598 31.424 29.700 0.211 0.000 1.210 258 E HN 0.475 nan 8.360 nan 0.000 0.411 259 N N 1.691 120.534 118.700 0.239 0.000 2.437 259 N HA 0.209 4.950 4.740 0.001 0.000 0.259 259 N C -0.565 175.248 175.510 0.505 0.000 0.983 259 N CA -0.362 52.867 53.050 0.299 0.000 0.937 259 N CB 1.374 40.012 38.487 0.253 0.000 1.122 259 N HN 0.317 nan 8.380 nan 0.000 0.499 260 R N 0.724 121.490 120.500 0.442 0.000 2.615 260 R HA 0.142 4.483 4.340 0.001 0.000 0.270 260 R C 1.060 177.663 176.300 0.505 0.000 1.081 260 R CA -0.514 55.895 56.100 0.514 0.000 1.154 260 R CB 0.614 31.076 30.300 0.270 0.000 1.063 260 R HN 0.447 nan 8.270 nan 0.000 0.519 261 F N 1.915 122.009 119.950 0.240 0.000 2.234 261 F HA -0.102 4.425 4.527 0.002 0.000 0.299 261 F C 1.671 177.430 175.800 -0.068 0.000 1.087 261 F CA 1.152 59.119 58.000 -0.054 0.000 1.340 261 F CB -0.144 38.739 39.000 -0.196 0.000 1.031 261 F HN 0.296 nan 8.300 nan 0.000 0.500 262 V N -1.307 118.607 119.914 -0.001 0.000 3.592 262 V HA 0.365 4.486 4.120 0.001 0.000 0.272 262 V C 1.661 177.727 176.094 -0.048 0.000 1.228 262 V CA 0.831 63.057 62.300 -0.123 0.000 1.173 262 V CB -0.837 30.943 31.823 -0.073 0.000 0.873 262 V HN 0.581 nan 8.190 nan 0.000 0.476 263 G N -0.107 108.713 108.800 0.033 0.000 2.238 263 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 263 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 263 G C 0.062 175.012 174.900 0.083 0.000 0.996 263 G CA 0.164 45.297 45.100 0.055 0.000 0.632 263 G HN 0.790 nan 8.290 nan 0.000 0.503 264 M N 0.172 119.827 119.600 0.091 0.000 2.705 264 M HA 0.812 5.293 4.480 0.001 0.000 0.311 264 M C -0.374 175.997 176.300 0.119 0.000 1.214 264 M CA -0.834 54.519 55.300 0.088 0.000 0.920 264 M CB 1.024 33.661 32.600 0.062 0.000 1.687 264 M HN 0.041 nan 8.290 nan 0.000 0.481 265 K N 1.354 121.815 120.400 0.101 0.000 2.118 265 K HA 0.627 4.947 4.320 0.001 0.000 0.264 265 K C -0.509 176.149 176.600 0.095 0.000 1.000 265 K CA -0.334 56.020 56.287 0.110 0.000 0.929 265 K CB 1.351 33.904 32.500 0.089 0.000 1.021 265 K HN 0.932 nan 8.250 nan 0.000 0.463 266 S N 1.184 116.947 115.700 0.105 0.000 2.533 266 S HA 0.323 4.794 4.470 0.001 0.000 0.271 266 S C -1.080 173.561 174.600 0.069 0.000 1.143 266 S CA -1.172 57.075 58.200 0.078 0.000 0.891 266 S CB 1.770 65.016 63.200 0.076 0.000 1.105 266 S HN 0.499 nan 8.310 nan 0.000 0.468 267 R N 1.350 121.870 120.500 0.034 0.000 2.248 267 R HA 0.566 4.907 4.340 0.001 0.000 0.328 267 R C 0.055 176.326 176.300 -0.048 0.000 1.067 267 R CA 0.137 56.240 56.100 0.005 0.000 0.924 267 R CB 0.516 30.813 30.300 -0.005 0.000 1.013 267 R HN 0.992 nan 8.270 nan 0.000 0.454 268 G N 1.995 110.751 108.800 -0.074 0.000 2.524 268 G HA2 0.529 4.490 3.960 0.001 0.000 0.310 268 G HA3 0.529 4.490 3.960 0.001 0.000 0.310 268 G C -1.399 173.219 174.900 -0.469 0.000 1.279 268 G CA -0.386 44.537 45.100 -0.295 0.000 0.974 268 G HN 0.379 nan 8.290 nan 0.000 0.484 269 V N 1.454 120.950 119.914 -0.697 0.000 2.540 269 V HA 0.596 4.717 4.120 0.001 0.000 0.302 269 V C -1.221 174.532 176.094 -0.569 0.000 1.035 269 V CA -0.674 61.361 62.300 -0.442 0.000 0.873 269 V CB 1.103 32.739 31.823 -0.312 0.000 0.992 269 V HN 0.694 nan 8.190 nan 0.000 0.428 270 Y N 2.065 122.491 120.300 0.210 0.000 2.477 270 Y HA 0.621 5.172 4.550 0.002 0.000 0.347 270 Y C 0.086 176.160 175.900 0.290 0.000 0.981 270 Y CA -1.033 57.209 58.100 0.237 0.000 1.033 270 Y CB 2.037 40.656 38.460 0.265 0.000 1.245 270 Y HN 0.730 nan 8.280 nan 0.000 0.455 271 E N 0.151 120.612 120.200 0.436 0.000 2.218 271 E HA 0.618 4.969 4.350 0.001 0.000 0.263 271 E C -1.376 175.392 176.600 0.281 0.000 0.879 271 E CA -1.060 55.507 56.400 0.277 0.000 0.762 271 E CB 1.766 31.622 29.700 0.259 0.000 1.166 271 E HN 0.533 nan 8.360 nan 0.000 0.415 272 T N 4.686 119.372 114.554 0.219 0.000 3.542 272 T HA 0.204 4.555 4.350 0.001 0.000 0.276 272 T C -1.943 172.837 174.700 0.133 0.000 1.412 272 T CA -1.105 61.121 62.100 0.210 0.000 1.664 272 T CB 0.832 69.825 68.868 0.209 0.000 0.863 272 T HN 0.381 nan 8.240 nan 0.000 0.661 273 P HA -0.146 nan 4.420 nan 0.000 0.213 273 P C 1.851 179.210 177.300 0.098 0.000 1.170 273 P CA 1.392 64.545 63.100 0.088 0.000 0.898 273 P CB -0.076 31.670 31.700 0.078 0.000 0.787 274 G N -0.118 108.743 108.800 0.102 0.000 2.421 274 G HA2 -0.191 3.769 3.960 0.001 0.000 0.216 274 G HA3 -0.191 3.769 3.960 0.001 0.000 0.216 274 G C 1.990 176.951 174.900 0.103 0.000 1.171 274 G CA 1.064 46.223 45.100 0.099 0.000 0.775 274 G HN 0.413 nan 8.290 nan 0.000 0.543 275 G N 0.061 108.921 108.800 0.101 0.000 2.442 275 G HA2 -0.151 3.810 3.960 0.001 0.000 0.219 275 G HA3 -0.151 3.810 3.960 0.001 0.000 0.219 275 G C 1.826 176.787 174.900 0.102 0.000 1.141 275 G CA 1.755 46.910 45.100 0.092 0.000 0.763 275 G HN 0.397 nan 8.290 nan 0.000 0.554 276 T N 1.086 115.701 114.554 0.102 0.000 2.821 276 T HA 0.008 4.359 4.350 0.001 0.000 0.267 276 T C 2.376 177.188 174.700 0.185 0.000 1.046 276 T CA 0.746 62.913 62.100 0.112 0.000 1.139 276 T CB -0.098 68.838 68.868 0.113 0.000 0.871 276 T HN 0.253 nan 8.240 nan 0.000 0.454 277 I N 0.700 121.369 120.570 0.164 0.000 2.179 277 I HA -0.121 4.050 4.170 0.001 0.000 0.242 277 I C 2.219 178.442 176.117 0.178 0.000 1.088 277 I CA 1.166 62.571 61.300 0.175 0.000 1.357 277 I CB -0.327 37.747 38.000 0.123 0.000 1.051 277 I HN 0.196 nan 8.210 nan 0.000 0.409 278 L N -0.609 120.705 121.223 0.151 0.000 2.131 278 L HA -0.265 4.076 4.340 0.001 0.000 0.210 278 L C 2.640 179.585 176.870 0.125 0.000 1.092 278 L CA 1.414 56.355 54.840 0.168 0.000 0.759 278 L CB -0.689 41.440 42.059 0.117 0.000 0.903 278 L HN 0.279 nan 8.230 nan 0.000 0.435 279 Y N 0.154 120.418 120.300 -0.060 0.000 2.114 279 Y HA -0.294 4.256 4.550 0.002 0.000 0.284 279 Y C 2.849 178.601 175.900 -0.246 0.000 1.143 279 Y CA 1.831 59.807 58.100 -0.207 0.000 1.135 279 Y CB -0.198 38.046 38.460 -0.360 0.000 0.980 279 Y HN 0.193 nan 8.280 nan 0.000 0.499 280 H N -0.670 118.459 119.070 0.099 0.000 2.428 280 H HA 0.044 4.601 4.556 0.001 0.000 0.296 280 H C 2.301 177.586 175.328 -0.070 0.000 1.062 280 H CA 1.006 57.056 56.048 0.003 0.000 1.350 280 H CB -0.581 29.233 29.762 0.087 0.000 1.403 280 H HN 0.518 nan 8.280 nan 0.000 0.533 281 A N 1.512 124.391 122.820 0.097 0.000 1.873 281 A HA -0.176 4.145 4.320 0.001 0.000 0.215 281 A C 2.520 179.976 177.584 -0.214 0.000 1.186 281 A CA 1.490 53.586 52.037 0.098 0.000 0.616 281 A CB -0.484 18.715 19.000 0.332 0.000 0.823 281 A HN 0.322 nan 8.150 nan 0.000 0.442 282 R N -0.308 119.946 120.500 -0.410 0.000 2.083 282 R HA -0.150 4.191 4.340 0.001 0.000 0.237 282 R C 2.323 178.264 176.300 -0.599 0.000 1.137 282 R CA 1.705 57.255 56.100 -0.917 0.000 0.951 282 R CB -0.325 29.601 30.300 -0.623 0.000 0.851 282 R HN 0.499 nan 8.270 nan 0.000 0.434 283 R N -0.033 120.197 120.500 -0.449 0.000 2.120 283 R HA -0.094 4.247 4.340 0.001 0.000 0.234 283 R C 2.327 178.492 176.300 -0.225 0.000 1.123 283 R CA 1.234 57.134 56.100 -0.333 0.000 0.975 283 R CB -0.341 29.770 30.300 -0.315 0.000 0.866 283 R HN 0.327 nan 8.270 nan 0.000 0.446 284 A N 0.755 123.464 122.820 -0.185 0.000 1.902 284 A HA -0.098 4.223 4.320 0.001 0.000 0.217 284 A C 2.352 179.845 177.584 -0.153 0.000 1.181 284 A CA 1.285 53.250 52.037 -0.120 0.000 0.623 284 A CB -0.414 18.552 19.000 -0.057 0.000 0.818 284 A HN 0.108 nan 8.150 nan 0.000 0.443 285 V N 0.145 119.915 119.914 -0.239 0.000 2.453 285 V HA -0.223 3.898 4.120 0.001 0.000 0.247 285 V C 2.310 178.275 176.094 -0.216 0.000 1.048 285 V CA 2.074 64.238 62.300 -0.226 0.000 1.049 285 V CB -0.818 30.804 31.823 -0.334 0.000 0.672 285 V HN 0.625 nan 8.190 nan 0.000 0.457 286 E N 0.829 120.870 120.200 -0.266 0.000 2.153 286 E HA -0.184 4.167 4.350 0.001 0.000 0.194 286 E C 2.300 178.817 176.600 -0.138 0.000 0.988 286 E CA 1.480 57.756 56.400 -0.207 0.000 0.811 286 E CB -0.232 29.333 29.700 -0.226 0.000 0.746 286 E HN 0.755 nan 8.360 nan 0.000 0.466 287 S N 0.443 116.068 115.700 -0.125 0.000 2.469 287 S HA -0.099 4.372 4.470 0.001 0.000 0.238 287 S C 1.830 176.388 174.600 -0.071 0.000 0.998 287 S CA 0.769 58.917 58.200 -0.087 0.000 0.957 287 S CB -0.132 63.018 63.200 -0.084 0.000 0.764 287 S HN 0.198 nan 8.310 nan 0.000 0.514 288 L N 0.835 122.014 121.223 -0.073 0.000 2.537 288 L HA 0.149 4.490 4.340 0.001 0.000 0.224 288 L C 2.565 179.412 176.870 -0.038 0.000 1.065 288 L CA 1.067 55.885 54.840 -0.037 0.000 0.860 288 L CB -0.269 41.773 42.059 -0.029 0.000 1.086 288 L HN 0.518 nan 8.230 nan 0.000 0.482 289 T N -2.752 111.759 114.554 -0.072 0.000 3.014 289 T HA 0.270 4.621 4.350 0.001 0.000 0.250 289 T C 0.690 175.335 174.700 -0.091 0.000 1.060 289 T CA -0.057 61.995 62.100 -0.081 0.000 1.040 289 T CB 0.119 68.925 68.868 -0.103 0.000 0.971 289 T HN -0.053 nan 8.240 nan 0.000 0.497 290 L N 2.268 123.435 121.223 -0.093 0.000 2.322 290 L HA 0.467 4.808 4.340 0.001 0.000 0.279 290 L C 0.151 176.974 176.870 -0.077 0.000 1.036 290 L CA -1.079 53.707 54.840 -0.091 0.000 0.807 290 L CB 1.396 43.398 42.059 -0.095 0.000 1.226 290 L HN 0.271 nan 8.230 nan 0.000 0.433 291 D N 2.369 122.723 120.400 -0.076 0.000 2.372 291 D HA -0.008 4.633 4.640 0.001 0.000 0.243 291 D C 0.981 177.210 176.300 -0.118 0.000 1.121 291 D CA -0.194 53.758 54.000 -0.079 0.000 0.898 291 D CB 1.345 42.107 40.800 -0.062 0.000 1.202 291 D HN 0.521 nan 8.370 nan 0.000 0.428 292 R N 1.906 122.310 120.500 -0.159 0.000 2.097 292 R HA -0.183 4.158 4.340 0.001 0.000 0.236 292 R C 1.633 177.640 176.300 -0.488 0.000 1.135 292 R CA 1.534 57.438 56.100 -0.327 0.000 0.934 292 R CB 0.008 30.142 30.300 -0.277 0.000 0.846 292 R HN 0.529 nan 8.270 nan 0.000 0.431 293 E N 0.094 120.134 120.200 -0.265 0.000 2.110 293 E HA -0.135 4.215 4.350 0.001 0.000 0.193 293 E C 2.134 178.705 176.600 -0.049 0.000 0.988 293 E CA 1.082 57.390 56.400 -0.153 0.000 0.804 293 E CB -0.297 29.371 29.700 -0.053 0.000 0.745 293 E HN 0.232 nan 8.360 nan 0.000 0.458 294 V N 1.680 121.575 119.914 -0.032 0.000 2.295 294 V HA -0.254 3.867 4.120 0.001 0.000 0.246 294 V C 2.508 178.644 176.094 0.071 0.000 1.049 294 V CA 1.639 63.965 62.300 0.043 0.000 1.024 294 V CB -0.588 31.235 31.823 0.000 0.000 0.648 294 V HN 0.177 nan 8.190 nan 0.000 0.447 295 L N 0.093 121.318 121.223 0.004 0.000 2.013 295 L HA -0.246 4.095 4.340 0.001 0.000 0.212 295 L C 2.388 179.370 176.870 0.186 0.000 1.073 295 L CA 2.224 57.101 54.840 0.062 0.000 0.753 295 L CB -1.030 41.044 42.059 0.025 0.000 0.890 295 L HN 0.481 nan 8.230 nan 0.000 0.432 296 H N -1.935 117.160 119.070 0.041 0.000 2.387 296 H HA -0.194 4.363 4.556 0.002 0.000 0.299 296 H C 2.148 177.503 175.328 0.044 0.000 1.090 296 H CA 1.023 57.092 56.048 0.036 0.000 1.332 296 H CB 0.184 29.963 29.762 0.027 0.000 1.386 296 H HN 0.427 nan 8.280 nan 0.000 0.516 297 Q N 1.185 121.095 119.800 0.184 0.000 2.016 297 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 297 Q C 2.400 178.470 176.000 0.118 0.000 0.978 297 Q CA 1.135 56.999 55.803 0.101 0.000 0.833 297 Q CB -0.107 28.680 28.738 0.081 0.000 0.895 297 Q HN 0.097 nan 8.270 nan 0.000 0.427 298 R N 0.463 121.114 120.500 0.251 0.000 2.096 298 R HA -0.163 4.178 4.340 0.001 0.000 0.240 298 R C 1.264 177.735 176.300 0.285 0.000 1.139 298 R CA 2.040 58.366 56.100 0.377 0.000 0.952 298 R CB -0.779 29.730 30.300 0.347 0.000 0.854 298 R HN 0.398 nan 8.270 nan 0.000 0.436 299 D N -0.094 120.412 120.400 0.177 0.000 2.219 299 D HA -0.110 4.530 4.640 0.001 0.000 0.205 299 D C 1.799 178.154 176.300 0.092 0.000 0.970 299 D CA 0.966 55.036 54.000 0.116 0.000 0.851 299 D CB -0.078 40.767 40.800 0.076 0.000 0.943 299 D HN 0.297 nan 8.370 nan 0.000 0.488 300 M N -0.542 119.107 119.600 0.081 0.000 2.562 300 M HA 0.054 4.535 4.480 0.001 0.000 0.257 300 M C 1.535 177.868 176.300 0.056 0.000 1.099 300 M CA 0.491 55.817 55.300 0.043 0.000 1.099 300 M CB 0.386 32.996 32.600 0.015 0.000 1.427 300 M HN -0.023 nan 8.290 nan 0.000 0.489 301 L N -1.863 119.425 121.223 0.108 0.000 2.515 301 L HA 0.073 4.413 4.340 0.001 0.000 0.223 301 L C 2.324 179.401 176.870 0.345 0.000 1.079 301 L CA 0.065 55.001 54.840 0.160 0.000 0.857 301 L CB -0.141 41.934 42.059 0.026 0.000 1.050 301 L HN 0.113 nan 8.230 nan 0.000 0.476 302 S N 0.912 116.795 115.700 0.306 0.000 2.365 302 S HA -0.126 4.345 4.470 0.001 0.000 0.225 302 S C -0.588 174.090 174.600 0.131 0.000 1.039 302 S CA 1.709 59.993 58.200 0.140 0.000 1.033 302 S CB -1.003 62.207 63.200 0.018 0.000 0.887 302 S HN 0.283 nan 8.310 nan 0.000 0.447 303 P HA -0.085 nan 4.420 nan 0.000 0.216 303 P C 1.316 178.668 177.300 0.086 0.000 1.150 303 P CA 1.104 64.239 63.100 0.058 0.000 0.837 303 P CB 0.064 31.770 31.700 0.009 0.000 0.786 304 K N -0.699 119.771 120.400 0.117 0.000 2.025 304 K HA -0.183 4.138 4.320 0.001 0.000 0.207 304 K C 2.160 178.845 176.600 0.142 0.000 1.049 304 K CA 1.464 57.812 56.287 0.102 0.000 0.933 304 K CB -1.524 31.036 32.500 0.100 0.000 0.714 304 K HN 0.061 nan 8.250 nan 0.000 0.438 305 Y N 0.307 120.669 120.300 0.102 0.000 2.207 305 Y HA -0.203 4.348 4.550 0.001 0.000 0.287 305 Y C 1.862 177.787 175.900 0.041 0.000 1.156 305 Y CA 1.848 60.011 58.100 0.104 0.000 1.182 305 Y CB -0.402 38.138 38.460 0.133 0.000 0.979 305 Y HN 0.156 nan 8.280 nan 0.000 0.521 306 A N 0.906 123.862 122.820 0.226 0.000 1.877 306 A HA -0.261 4.060 4.320 0.001 0.000 0.216 306 A C 2.113 179.716 177.584 0.032 0.000 1.186 306 A CA 1.957 54.079 52.037 0.142 0.000 0.620 306 A CB -0.938 18.160 19.000 0.163 0.000 0.822 306 A HN 0.741 nan 8.150 nan 0.000 0.443 307 E N 0.123 120.319 120.200 -0.006 0.000 2.153 307 E HA -0.153 4.198 4.350 0.001 0.000 0.194 307 E C 1.893 178.179 176.600 -0.523 0.000 0.988 307 E CA 1.167 57.367 56.400 -0.334 0.000 0.811 307 E CB -0.548 28.919 29.700 -0.388 0.000 0.746 307 E HN 0.588 nan 8.360 nan 0.000 0.466 308 L N 1.114 122.196 121.223 -0.234 0.000 2.017 308 L HA -0.179 4.162 4.340 0.001 0.000 0.208 308 L C 2.646 179.494 176.870 -0.037 0.000 1.073 308 L CA 1.035 55.825 54.840 -0.084 0.000 0.745 308 L CB -0.453 41.537 42.059 -0.114 0.000 0.894 308 L HN 0.092 nan 8.230 nan 0.000 0.432 309 V N -1.041 118.798 119.914 -0.125 0.000 2.295 309 V HA -0.343 3.778 4.120 0.001 0.000 0.246 309 V C 2.231 178.272 176.094 -0.088 0.000 1.049 309 V CA 1.921 64.192 62.300 -0.047 0.000 1.024 309 V CB -0.736 31.051 31.823 -0.060 0.000 0.648 309 V HN 0.373 nan 8.190 nan 0.000 0.447 310 Y N -0.070 120.037 120.300 -0.321 0.000 2.165 310 Y HA -0.271 4.280 4.550 0.001 0.000 0.286 310 Y C 2.417 178.203 175.900 -0.190 0.000 1.155 310 Y CA 1.800 59.660 58.100 -0.400 0.000 1.164 310 Y CB -0.318 37.572 38.460 -0.951 0.000 0.978 310 Y HN 0.290 nan 8.280 nan 0.000 0.513 311 Y N -0.555 119.603 120.300 -0.236 0.000 2.439 311 Y HA 0.164 4.715 4.550 0.001 0.000 0.292 311 Y C 2.254 177.918 175.900 -0.393 0.000 1.130 311 Y CA 0.568 58.380 58.100 -0.481 0.000 1.254 311 Y CB -0.664 37.296 38.460 -0.834 0.000 1.000 311 Y HN 0.264 nan 8.280 nan 0.000 0.554 312 G N -1.582 107.139 108.800 -0.132 0.000 2.159 312 G HA2 -0.233 3.728 3.960 0.001 0.000 0.170 312 G HA3 -0.233 3.728 3.960 0.001 0.000 0.170 312 G C -0.039 174.735 174.900 -0.210 0.000 1.007 312 G CA -0.489 44.491 45.100 -0.200 0.000 0.672 312 G HN 0.202 nan 8.290 nan 0.000 0.507 313 F N 1.209 121.191 119.950 0.054 0.000 2.660 313 F HA 0.376 4.904 4.527 0.001 0.000 0.342 313 F C 1.562 177.386 175.800 0.040 0.000 1.195 313 F CA -0.638 57.400 58.000 0.064 0.000 1.300 313 F CB -0.048 38.968 39.000 0.027 0.000 1.616 313 F HN 0.375 nan 8.300 nan 0.000 0.592 314 W N 0.241 121.528 121.300 -0.021 0.000 2.519 314 W HA -0.083 4.578 4.660 0.001 0.000 0.313 314 W C 0.162 176.592 176.519 -0.149 0.000 1.156 314 W CA 0.927 58.179 57.345 -0.156 0.000 1.394 314 W CB -0.334 28.976 29.460 -0.249 0.000 1.154 314 W HN 0.116 nan 8.180 nan 0.000 0.498 315 Y N 1.463 121.839 120.300 0.127 0.000 2.735 315 Y HA 0.414 4.965 4.550 0.001 0.000 0.354 315 Y C 0.387 176.322 175.900 0.058 0.000 1.288 315 Y CA -0.302 57.814 58.100 0.027 0.000 1.836 315 Y CB -0.649 37.899 38.460 0.146 0.000 1.920 315 Y HN -0.109 nan 8.280 nan 0.000 0.438 316 A N 2.036 124.916 122.820 0.101 0.000 2.449 316 A HA 0.505 4.826 4.320 0.001 0.000 0.302 316 A C -1.973 175.638 177.584 0.044 0.000 1.048 316 A CA -1.766 50.358 52.037 0.146 0.000 0.708 316 A CB 1.606 20.769 19.000 0.272 0.000 1.274 316 A HN 0.198 nan 8.150 nan 0.000 0.410 317 P HA -0.194 nan 4.420 nan 0.000 0.216 317 P C 0.588 177.881 177.300 -0.012 0.000 1.150 317 P CA 1.641 64.749 63.100 0.013 0.000 0.837 317 P CB 0.266 31.980 31.700 0.023 0.000 0.786 318 E N 0.171 120.360 120.200 -0.019 0.000 2.077 318 E HA -0.167 4.184 4.350 0.001 0.000 0.193 318 E C 2.340 178.927 176.600 -0.023 0.000 0.989 318 E CA 0.962 57.341 56.400 -0.034 0.000 0.800 318 E CB -1.015 28.643 29.700 -0.069 0.000 0.746 318 E HN 0.185 nan 8.360 nan 0.000 0.452 319 R N 1.005 121.471 120.500 -0.057 0.000 2.075 319 R HA -0.117 4.224 4.340 0.001 0.000 0.232 319 R C 1.774 178.027 176.300 -0.077 0.000 1.126 319 R CA 1.480 57.514 56.100 -0.109 0.000 0.963 319 R CB -0.045 30.085 30.300 -0.283 0.000 0.858 319 R HN 0.292 nan 8.270 nan 0.000 0.435 320 E N -0.200 119.930 120.200 -0.116 0.000 2.150 320 E HA -0.109 4.242 4.350 0.001 0.000 0.193 320 E C 1.881 178.473 176.600 -0.014 0.000 0.985 320 E CA 0.974 57.320 56.400 -0.091 0.000 0.814 320 E CB -0.021 29.627 29.700 -0.087 0.000 0.752 320 E HN 0.398 nan 8.360 nan 0.000 0.466 321 A N 1.184 124.001 122.820 -0.005 0.000 1.873 321 A HA -0.117 4.204 4.320 0.001 0.000 0.215 321 A C 2.163 179.755 177.584 0.013 0.000 1.186 321 A CA 0.862 52.898 52.037 -0.002 0.000 0.616 321 A CB -0.552 18.438 19.000 -0.016 0.000 0.823 321 A HN 0.134 nan 8.150 nan 0.000 0.442 322 L N -0.998 120.257 121.223 0.053 0.000 2.083 322 L HA -0.222 4.119 4.340 0.001 0.000 0.209 322 L C 2.845 179.795 176.870 0.134 0.000 1.083 322 L CA 1.668 56.545 54.840 0.061 0.000 0.752 322 L CB -0.387 41.847 42.059 0.291 0.000 0.899 322 L HN 0.479 nan 8.230 nan 0.000 0.433 323 Q N 0.118 120.070 119.800 0.254 0.000 2.170 323 Q HA -0.177 4.164 4.340 0.001 0.000 0.203 323 Q C 2.146 178.221 176.000 0.125 0.000 0.976 323 Q CA 1.816 57.774 55.803 0.259 0.000 0.858 323 Q CB -0.149 28.673 28.738 0.139 0.000 0.907 323 Q HN 0.459 nan 8.270 nan 0.000 0.433 324 A N -0.764 122.093 122.820 0.061 0.000 1.933 324 A HA -0.194 4.127 4.320 0.001 0.000 0.218 324 A C 1.933 179.525 177.584 0.013 0.000 1.175 324 A CA 1.475 53.530 52.037 0.031 0.000 0.628 324 A CB -0.969 18.038 19.000 0.012 0.000 0.814 324 A HN 0.612 nan 8.150 nan 0.000 0.444 325 Y N -0.460 119.745 120.300 -0.158 0.000 2.109 325 Y HA -0.185 4.366 4.550 0.002 0.000 0.285 325 Y C 2.007 177.796 175.900 -0.185 0.000 1.131 325 Y CA 1.874 59.821 58.100 -0.255 0.000 1.121 325 Y CB -0.659 37.503 38.460 -0.497 0.000 0.987 325 Y HN 0.293 nan 8.280 nan 0.000 0.495 326 F N 0.528 120.456 119.950 -0.036 0.000 2.161 326 F HA -0.263 4.265 4.527 0.001 0.000 0.300 326 F C 2.144 177.841 175.800 -0.172 0.000 1.089 326 F CA 1.348 59.256 58.000 -0.153 0.000 1.282 326 F CB -0.369 38.533 39.000 -0.163 0.000 1.010 326 F HN 0.096 nan 8.300 nan 0.000 0.485 327 D N -1.279 119.159 120.400 0.064 0.000 2.178 327 D HA -0.179 4.462 4.640 0.001 0.000 0.202 327 D C 1.859 178.126 176.300 -0.054 0.000 0.974 327 D CA 1.303 55.307 54.000 0.007 0.000 0.841 327 D CB -0.529 40.288 40.800 0.028 0.000 0.953 327 D HN 0.373 nan 8.370 nan 0.000 0.478 328 H N 0.396 119.368 119.070 -0.164 0.000 2.293 328 H HA -0.057 4.500 4.556 0.001 0.000 0.300 328 H C 1.940 177.131 175.328 -0.229 0.000 1.082 328 H CA 1.663 57.596 56.048 -0.193 0.000 1.308 328 H CB -0.213 29.409 29.762 -0.233 0.000 1.375 328 H HN -0.114 nan 8.280 nan 0.000 0.495 329 V N 0.945 120.703 119.914 -0.260 0.000 2.295 329 V HA -0.271 3.850 4.120 0.001 0.000 0.246 329 V C 2.757 178.713 176.094 -0.231 0.000 1.049 329 V CA 1.804 63.937 62.300 -0.278 0.000 1.024 329 V CB -1.329 30.312 31.823 -0.302 0.000 0.648 329 V HN 0.716 nan 8.190 nan 0.000 0.447 330 A N -0.366 122.350 122.820 -0.173 0.000 2.076 330 A HA -0.266 4.055 4.320 0.001 0.000 0.220 330 A C 2.364 179.835 177.584 -0.188 0.000 1.160 330 A CA 1.891 53.834 52.037 -0.156 0.000 0.653 330 A CB -0.679 18.258 19.000 -0.105 0.000 0.801 330 A HN 0.491 nan 8.150 nan 0.000 0.455 331 R N -0.205 120.161 120.500 -0.224 0.000 2.193 331 R HA -0.078 4.263 4.340 0.001 0.000 0.229 331 R C 1.594 177.733 176.300 -0.268 0.000 1.110 331 R CA 1.447 57.396 56.100 -0.251 0.000 0.988 331 R CB -0.153 29.986 30.300 -0.269 0.000 0.871 331 R HN 0.494 nan 8.270 nan 0.000 0.458 332 S N -0.316 115.236 115.700 -0.247 0.000 2.527 332 S HA 0.052 4.523 4.470 0.001 0.000 0.222 332 S C 0.371 174.861 174.600 -0.184 0.000 0.985 332 S CA 0.072 58.147 58.200 -0.208 0.000 0.921 332 S CB 0.657 63.745 63.200 -0.187 0.000 0.772 332 S HN 0.015 nan 8.310 nan 0.000 0.529 333 V N 3.596 123.394 119.914 -0.193 0.000 2.242 333 V HA 0.172 4.293 4.120 0.001 0.000 0.242 333 V C 0.025 176.046 176.094 -0.122 0.000 1.240 333 V CA 0.298 62.489 62.300 -0.182 0.000 1.211 333 V CB -0.786 30.901 31.823 -0.225 0.000 1.338 333 V HN 0.181 nan 8.190 nan 0.000 0.499 334 T N 3.040 117.538 114.554 -0.093 0.000 2.840 334 T HA 0.781 5.132 4.350 0.001 0.000 0.287 334 T C 0.359 175.080 174.700 0.035 0.000 0.991 334 T CA 0.058 62.152 62.100 -0.010 0.000 0.964 334 T CB 1.714 70.544 68.868 -0.063 0.000 0.954 334 T HN 0.905 nan 8.240 nan 0.000 0.438 335 G N 1.325 110.190 108.800 0.108 0.000 2.333 335 G HA2 0.457 4.418 3.960 0.001 0.000 0.288 335 G HA3 0.457 4.418 3.960 0.001 0.000 0.288 335 G C -2.146 172.839 174.900 0.141 0.000 1.286 335 G CA -0.546 44.608 45.100 0.089 0.000 0.865 335 G HN 0.693 nan 8.290 nan 0.000 0.506 336 V N 0.327 120.303 119.914 0.103 0.000 2.588 336 V HA 0.795 4.916 4.120 0.001 0.000 0.304 336 V C 0.393 176.547 176.094 0.100 0.000 1.042 336 V CA -0.126 62.248 62.300 0.124 0.000 0.877 336 V CB 1.328 33.202 31.823 0.084 0.000 0.996 336 V HN 1.709 nan 8.190 nan 0.000 0.425 337 A N 4.530 127.434 122.820 0.140 0.000 2.317 337 A HA 0.852 5.173 4.320 0.001 0.000 0.327 337 A C -0.245 177.401 177.584 0.104 0.000 1.178 337 A CA -0.694 51.404 52.037 0.102 0.000 0.817 337 A CB 0.932 20.006 19.000 0.124 0.000 1.189 337 A HN 0.827 nan 8.150 nan 0.000 0.489 338 R N 2.477 123.029 120.500 0.087 0.000 2.360 338 R HA 0.610 4.951 4.340 0.001 0.000 0.318 338 R C -1.783 174.589 176.300 0.119 0.000 0.950 338 R CA -0.410 55.756 56.100 0.110 0.000 0.837 338 R CB 0.511 30.874 30.300 0.105 0.000 1.165 338 R HN 0.650 nan 8.270 nan 0.000 0.458 339 L N 2.925 124.218 121.223 0.117 0.000 2.333 339 L HA 0.543 4.884 4.340 0.001 0.000 0.269 339 L C -0.409 176.466 176.870 0.008 0.000 1.010 339 L CA -0.668 54.219 54.840 0.078 0.000 0.818 339 L CB 1.789 43.888 42.059 0.066 0.000 1.306 339 L HN 0.446 nan 8.230 nan 0.000 0.430 340 K N 2.228 122.595 120.400 -0.055 0.000 2.394 340 K HA 0.620 4.940 4.320 0.001 0.000 0.260 340 K C -1.522 175.024 176.600 -0.090 0.000 0.967 340 K CA -0.428 55.690 56.287 -0.281 0.000 0.855 340 K CB 0.796 33.085 32.500 -0.352 0.000 1.101 340 K HN 0.528 nan 8.250 nan 0.000 0.433 341 L N 4.856 125.948 121.223 -0.219 0.000 2.289 341 L HA 0.471 4.812 4.340 0.001 0.000 0.285 341 L C -0.930 175.855 176.870 -0.142 0.000 1.049 341 L CA -1.060 53.654 54.840 -0.210 0.000 0.804 341 L CB 0.747 42.549 42.059 -0.427 0.000 1.195 341 L HN 0.623 nan 8.230 nan 0.000 0.428 342 Y N 2.961 123.218 120.300 -0.072 0.000 2.299 342 Y HA 0.175 4.726 4.550 0.001 0.000 0.318 342 Y C -0.552 175.411 175.900 0.105 0.000 1.205 342 Y CA -1.498 56.628 58.100 0.044 0.000 1.106 342 Y CB 1.076 39.570 38.460 0.057 0.000 1.246 342 Y HN 0.560 nan 8.280 nan 0.000 0.415 343 K N 5.076 125.216 120.400 -0.433 0.000 4.444 343 K HA -0.216 4.105 4.320 0.001 0.000 0.281 343 K C 1.050 177.540 176.600 -0.185 0.000 0.817 343 K CA 1.446 57.494 56.287 -0.398 0.000 0.793 343 K CB -1.314 30.760 32.500 -0.710 0.000 1.784 343 K HN 1.406 nan 8.250 nan 0.000 0.424 344 G N -0.271 108.466 108.800 -0.104 0.000 2.284 344 G HA2 -0.332 3.629 3.960 0.001 0.000 0.247 344 G HA3 -0.332 3.629 3.960 0.001 0.000 0.247 344 G C 0.120 174.962 174.900 -0.097 0.000 1.012 344 G CA 0.322 45.362 45.100 -0.099 0.000 0.618 344 G HN 0.501 nan 8.290 nan 0.000 0.521 345 N N -0.313 118.328 118.700 -0.098 0.000 2.472 345 N HA 0.646 5.387 4.740 0.001 0.000 0.289 345 N C -0.537 174.809 175.510 -0.274 0.000 1.156 345 N CA -0.210 52.692 53.050 -0.246 0.000 0.940 345 N CB 1.909 40.139 38.487 -0.428 0.000 1.200 345 N HN 0.155 nan 8.380 nan 0.000 0.511 346 V N 3.092 122.750 119.914 -0.426 0.000 2.376 346 V HA 0.368 4.489 4.120 0.001 0.000 0.287 346 V C -1.242 174.567 176.094 -0.474 0.000 1.015 346 V CA -0.588 61.535 62.300 -0.294 0.000 0.834 346 V CB 0.348 32.092 31.823 -0.133 0.000 1.001 346 V HN 0.488 nan 8.190 nan 0.000 0.428 347 Y N 3.063 123.294 120.300 -0.115 0.000 2.335 347 Y HA 0.530 5.081 4.550 0.001 0.000 0.338 347 Y C 0.236 176.088 175.900 -0.080 0.000 0.977 347 Y CA -0.955 57.078 58.100 -0.112 0.000 1.114 347 Y CB 1.829 40.233 38.460 -0.093 0.000 1.182 347 Y HN 0.355 nan 8.280 nan 0.000 0.463 348 V N 4.845 124.796 119.914 0.062 0.000 2.508 348 V HA 0.060 4.181 4.120 0.001 0.000 0.281 348 V C 0.712 176.850 176.094 0.072 0.000 1.041 348 V CA 0.132 62.466 62.300 0.056 0.000 1.016 348 V CB 0.868 32.709 31.823 0.029 0.000 0.984 348 V HN 0.833 nan 8.190 nan 0.000 0.478 349 V N 1.775 121.737 119.914 0.079 0.000 3.502 349 V HA 0.752 4.873 4.120 0.001 0.000 0.288 349 V C 0.571 176.696 176.094 0.052 0.000 1.461 349 V CA 0.608 62.954 62.300 0.076 0.000 1.029 349 V CB 0.252 32.158 31.823 0.137 0.000 0.843 349 V HN 0.943 nan 8.190 nan 0.000 0.438 350 G N 1.000 109.827 108.800 0.045 0.000 2.579 350 G HA2 0.677 4.637 3.960 0.001 0.000 0.292 350 G HA3 0.677 4.637 3.960 0.001 0.000 0.292 350 G C -1.490 173.417 174.900 0.012 0.000 1.484 350 G CA -0.692 44.419 45.100 0.018 0.000 0.813 350 G HN 0.579 nan 8.290 nan 0.000 0.515 351 R N -0.022 120.471 120.500 -0.011 0.000 2.663 351 R HA 0.753 5.094 4.340 0.001 0.000 0.267 351 R C -1.484 174.809 176.300 -0.012 0.000 1.038 351 R CA -1.004 55.089 56.100 -0.011 0.000 0.886 351 R CB 2.080 32.357 30.300 -0.038 0.000 1.249 351 R HN 0.906 nan 8.270 nan 0.000 0.463 352 K N 0.706 121.108 120.400 0.005 0.000 2.556 352 K HA 0.848 5.169 4.320 0.001 0.000 0.274 352 K C -1.881 174.731 176.600 0.020 0.000 0.966 352 K CA -0.893 55.403 56.287 0.015 0.000 0.865 352 K CB 2.569 35.083 32.500 0.023 0.000 1.444 352 K HN 0.810 nan 8.250 nan 0.000 0.433 353 A N 1.323 124.158 122.820 0.024 0.000 2.589 353 A HA 0.528 4.848 4.320 0.001 0.000 0.296 353 A C -2.582 175.017 177.584 0.025 0.000 1.062 353 A CA -1.149 50.901 52.037 0.023 0.000 0.686 353 A CB 1.438 20.439 19.000 0.002 0.000 1.282 353 A HN 0.579 nan 8.150 nan 0.000 0.404 354 P HA -0.059 nan 4.420 nan 0.000 0.215 354 P C 0.299 177.607 177.300 0.014 0.000 1.153 354 P CA 1.413 64.529 63.100 0.027 0.000 0.853 354 P CB 0.193 31.918 31.700 0.041 0.000 0.788 355 K N -0.413 119.989 120.400 0.003 0.000 3.135 355 K HA 0.246 4.567 4.320 0.001 0.000 0.210 355 K C 0.023 176.616 176.600 -0.010 0.000 1.176 355 K CA -0.207 56.074 56.287 -0.009 0.000 1.064 355 K CB 0.459 32.946 32.500 -0.022 0.000 1.009 355 K HN -0.058 nan 8.250 nan 0.000 0.472 356 S N 0.772 116.475 115.700 0.006 0.000 2.549 356 S HA 0.100 4.571 4.470 0.001 0.000 0.286 356 S C 1.012 175.624 174.600 0.021 0.000 1.314 356 S CA -0.390 57.823 58.200 0.021 0.000 1.062 356 S CB 0.405 63.640 63.200 0.058 0.000 0.865 356 S HN 0.436 nan 8.310 nan 0.000 0.498 357 L N 4.088 125.325 121.223 0.024 0.000 2.592 357 L HA 0.225 4.566 4.340 0.001 0.000 0.227 357 L C 0.279 177.173 176.870 0.039 0.000 1.127 357 L CA -0.154 54.691 54.840 0.010 0.000 0.884 357 L CB -0.320 41.734 42.059 -0.008 0.000 1.065 357 L HN 0.704 nan 8.230 nan 0.000 0.457 358 Y N 2.062 122.333 120.300 -0.048 0.000 2.319 358 Y HA 0.339 4.890 4.550 0.001 0.000 0.328 358 Y C 0.063 175.935 175.900 -0.047 0.000 1.133 358 Y CA -0.677 57.393 58.100 -0.049 0.000 1.265 358 Y CB 0.464 38.898 38.460 -0.043 0.000 1.218 358 Y HN -0.050 nan 8.280 nan 0.000 0.508 359 R N 6.097 126.078 120.500 -0.866 0.000 2.473 359 R HA 0.085 4.426 4.340 0.001 0.000 0.303 359 R C 0.512 176.268 176.300 -0.907 0.000 1.002 359 R CA -0.574 55.113 56.100 -0.689 0.000 0.884 359 R CB 1.685 31.776 30.300 -0.350 0.000 1.173 359 R HN 0.951 nan 8.270 nan 0.000 0.464 360 Q N 1.465 120.817 119.800 -0.747 0.000 2.181 360 Q HA -0.210 4.131 4.340 0.001 0.000 0.205 360 Q C 0.294 176.132 176.000 -0.271 0.000 0.980 360 Q CA 1.932 57.488 55.803 -0.412 0.000 0.862 360 Q CB 0.233 28.893 28.738 -0.130 0.000 0.905 360 Q HN 0.487 nan 8.270 nan 0.000 0.429 361 D N 0.329 120.577 120.400 -0.253 0.000 2.248 361 D HA -0.244 4.396 4.640 0.001 0.000 0.189 361 D C 1.583 177.761 176.300 -0.204 0.000 1.011 361 D CA 1.749 55.638 54.000 -0.185 0.000 0.868 361 D CB -0.205 40.495 40.800 -0.167 0.000 0.931 361 D HN 0.332 nan 8.370 nan 0.000 0.449 362 L N -0.308 120.763 121.223 -0.252 0.000 2.395 362 L HA -0.030 4.311 4.340 0.001 0.000 0.218 362 L C 2.199 178.854 176.870 -0.360 0.000 1.130 362 L CA 0.423 55.087 54.840 -0.294 0.000 0.826 362 L CB -0.182 41.710 42.059 -0.279 0.000 0.941 362 L HN 0.112 nan 8.230 nan 0.000 0.451 363 V N -4.798 114.953 119.914 -0.271 0.000 3.379 363 V HA 0.165 4.286 4.120 0.001 0.000 0.249 363 V C 1.387 177.344 176.094 -0.229 0.000 1.184 363 V CA 0.122 62.289 62.300 -0.223 0.000 1.106 363 V CB -0.062 31.740 31.823 -0.036 0.000 0.826 363 V HN 0.334 nan 8.190 nan 0.000 0.465 364 S N 0.444 116.047 115.700 -0.162 0.000 2.584 364 S HA 0.529 5.000 4.470 0.001 0.000 0.270 364 S C -0.541 173.946 174.600 -0.188 0.000 1.346 364 S CA -0.251 57.916 58.200 -0.054 0.000 1.018 364 S CB 0.371 63.562 63.200 -0.015 0.000 0.899 364 S HN 0.334 nan 8.310 nan 0.000 0.542 371 Y N 1.124 121.370 120.300 -0.091 0.000 2.386 371 Y HA 0.584 5.135 4.550 0.001 0.000 0.334 371 Y C -1.469 174.380 175.900 -0.084 0.000 1.002 371 Y CA -0.823 57.219 58.100 -0.097 0.000 1.068 371 Y CB 2.522 40.906 38.460 -0.127 0.000 1.203 371 Y HN 0.601 nan 8.280 nan 0.000 0.443 372 D N 4.795 124.923 120.400 -0.455 0.000 2.469 372 D HA 0.189 4.830 4.640 0.001 0.000 0.251 372 D C 0.272 176.320 176.300 -0.419 0.000 1.173 372 D CA -0.277 53.554 54.000 -0.282 0.000 0.882 372 D CB 1.512 42.203 40.800 -0.183 0.000 1.129 372 D HN 0.784 nan 8.370 nan 0.000 0.549 373 Q N 2.388 122.078 119.800 -0.184 0.000 2.224 373 Q HA -0.279 4.062 4.340 0.001 0.000 0.213 373 Q C 1.389 177.331 176.000 -0.097 0.000 0.998 373 Q CA 1.445 57.209 55.803 -0.064 0.000 0.895 373 Q CB 0.014 28.805 28.738 0.088 0.000 0.926 373 Q HN 0.517 nan 8.270 nan 0.000 0.417 374 K N 0.586 120.930 120.400 -0.093 0.000 2.360 374 K HA -0.172 4.149 4.320 0.001 0.000 0.201 374 K C 1.044 177.597 176.600 -0.078 0.000 1.046 374 K CA 1.115 57.367 56.287 -0.059 0.000 0.945 374 K CB 0.159 32.632 32.500 -0.044 0.000 0.750 374 K HN 0.152 nan 8.250 nan 0.000 0.464 375 D N 0.591 120.891 120.400 -0.167 0.000 2.178 375 D HA -0.118 4.523 4.640 0.001 0.000 0.202 375 D C 1.707 177.970 176.300 -0.062 0.000 0.974 375 D CA 1.087 55.000 54.000 -0.146 0.000 0.841 375 D CB -0.048 40.589 40.800 -0.272 0.000 0.953 375 D HN 0.323 nan 8.370 nan 0.000 0.478 376 A N 1.012 123.784 122.820 -0.079 0.000 1.940 376 A HA -0.246 4.074 4.320 0.001 0.000 0.219 376 A C 2.114 179.785 177.584 0.145 0.000 1.176 376 A CA 1.853 53.929 52.037 0.066 0.000 0.631 376 A CB -0.574 18.482 19.000 0.093 0.000 0.814 376 A HN 0.291 nan 8.150 nan 0.000 0.446 377 E N -0.596 119.651 120.200 0.078 0.000 2.051 377 E HA -0.127 4.224 4.350 0.001 0.000 0.192 377 E C 2.100 178.746 176.600 0.076 0.000 0.991 377 E CA 1.123 57.567 56.400 0.072 0.000 0.799 377 E CB -0.464 29.259 29.700 0.039 0.000 0.748 377 E HN 0.502 nan 8.360 nan 0.000 0.449 378 G N 0.457 109.298 108.800 0.069 0.000 2.418 378 G HA2 -0.302 3.659 3.960 0.001 0.000 0.217 378 G HA3 -0.302 3.659 3.960 0.001 0.000 0.217 378 G C 1.357 176.314 174.900 0.096 0.000 1.158 378 G CA 0.722 45.859 45.100 0.061 0.000 0.771 378 G HN 0.382 nan 8.290 nan 0.000 0.545 379 F N 1.514 121.457 119.950 -0.010 0.000 2.069 379 F HA -0.087 4.441 4.527 0.001 0.000 0.298 379 F C 2.503 178.309 175.800 0.010 0.000 1.113 379 F CA 1.493 59.494 58.000 0.002 0.000 1.214 379 F CB -0.278 38.729 39.000 0.011 0.000 0.978 379 F HN 0.112 nan 8.300 nan 0.000 0.474 380 I N 0.252 120.871 120.570 0.081 0.000 2.163 380 I HA -0.327 3.844 4.170 0.001 0.000 0.243 380 I C 2.427 178.494 176.117 -0.084 0.000 1.085 380 I CA 1.206 62.486 61.300 -0.034 0.000 1.347 380 I CB -0.550 37.499 38.000 0.082 0.000 1.044 380 I HN 0.076 nan 8.210 nan 0.000 0.408 381 K N 0.624 121.003 120.400 -0.035 0.000 2.032 381 K HA -0.146 4.175 4.320 0.001 0.000 0.209 381 K C 2.063 178.621 176.600 -0.069 0.000 1.048 381 K CA 1.452 57.717 56.287 -0.037 0.000 0.927 381 K CB -0.431 32.062 32.500 -0.013 0.000 0.712 381 K HN 0.280 nan 8.250 nan 0.000 0.441 382 I N 1.765 122.279 120.570 -0.092 0.000 2.252 382 I HA -0.222 3.949 4.170 0.001 0.000 0.245 382 I C 2.327 178.351 176.117 -0.155 0.000 1.102 382 I CA 1.256 62.493 61.300 -0.105 0.000 1.385 382 I CB -1.081 36.862 38.000 -0.095 0.000 1.064 382 I HN 0.223 nan 8.210 nan 0.000 0.414 383 Q N 0.504 120.145 119.800 -0.266 0.000 2.170 383 Q HA -0.097 4.243 4.340 0.001 0.000 0.203 383 Q C 2.241 178.148 176.000 -0.155 0.000 0.976 383 Q CA 1.715 57.351 55.803 -0.278 0.000 0.858 383 Q CB -0.253 28.212 28.738 -0.455 0.000 0.907 383 Q HN 0.555 nan 8.270 nan 0.000 0.433 384 A N 0.237 122.985 122.820 -0.120 0.000 2.132 384 A HA -0.030 4.291 4.320 0.001 0.000 0.213 384 A C 1.994 179.547 177.584 -0.053 0.000 1.154 384 A CA 0.159 52.153 52.037 -0.071 0.000 0.753 384 A CB -0.262 18.708 19.000 -0.051 0.000 0.826 384 A HN 0.276 nan 8.150 nan 0.000 0.469 385 L N 1.593 122.782 121.223 -0.056 0.000 1.978 385 L HA -0.274 4.067 4.340 0.001 0.000 0.218 385 L C 2.673 179.523 176.870 -0.034 0.000 1.075 385 L CA 2.830 57.646 54.840 -0.040 0.000 0.767 385 L CB -0.715 41.320 42.059 -0.040 0.000 0.890 385 L HN 0.621 nan 8.230 nan 0.000 0.434 386 R N -0.648 119.830 120.500 -0.037 0.000 2.159 386 R HA -0.158 4.183 4.340 0.001 0.000 0.237 386 R C 2.092 178.378 176.300 -0.025 0.000 1.131 386 R CA 1.901 57.983 56.100 -0.029 0.000 0.982 386 R CB -0.933 29.349 30.300 -0.030 0.000 0.868 386 R HN 0.487 nan 8.270 nan 0.000 0.453 387 L N 0.329 121.535 121.223 -0.028 0.000 2.109 387 L HA 0.021 4.362 4.340 0.001 0.000 0.207 387 L C 2.671 179.531 176.870 -0.017 0.000 1.086 387 L CA 1.175 56.002 54.840 -0.021 0.000 0.760 387 L CB -0.337 41.708 42.059 -0.023 0.000 0.910 387 L HN 0.174 nan 8.230 nan 0.000 0.437 388 R N -0.427 120.062 120.500 -0.019 0.000 2.090 388 R HA -0.072 4.269 4.340 0.001 0.000 0.228 388 R C 2.294 178.587 176.300 -0.012 0.000 1.110 388 R CA 0.850 56.942 56.100 -0.014 0.000 0.973 388 R CB -0.450 29.841 30.300 -0.015 0.000 0.869 388 R HN 0.120 nan 8.270 nan 0.000 0.440 389 V N 1.346 121.251 119.914 -0.014 0.000 2.295 389 V HA -0.282 3.839 4.120 0.001 0.000 0.246 389 V C 2.535 178.623 176.094 -0.010 0.000 1.049 389 V CA 1.909 64.202 62.300 -0.012 0.000 1.024 389 V CB -0.579 31.236 31.823 -0.014 0.000 0.648 389 V HN 0.326 nan 8.190 nan 0.000 0.447 390 R N 0.247 120.741 120.500 -0.011 0.000 2.083 390 R HA -0.201 4.140 4.340 0.001 0.000 0.237 390 R C 2.301 178.596 176.300 -0.007 0.000 1.137 390 R CA 1.892 57.987 56.100 -0.009 0.000 0.951 390 R CB -0.495 29.799 30.300 -0.010 0.000 0.851 390 R HN 0.479 nan 8.270 nan 0.000 0.434 391 A N 1.075 123.890 122.820 -0.008 0.000 1.902 391 A HA -0.135 4.186 4.320 0.001 0.000 0.217 391 A C 2.245 179.825 177.584 -0.005 0.000 1.181 391 A CA 1.329 53.363 52.037 -0.006 0.000 0.623 391 A CB -0.538 18.459 19.000 -0.006 0.000 0.818 391 A HN 0.359 nan 8.150 nan 0.000 0.443 392 L N -0.664 120.556 121.223 -0.006 0.000 2.083 392 L HA -0.153 4.188 4.340 0.001 0.000 0.209 392 L C 2.469 179.337 176.870 -0.005 0.000 1.083 392 L CA 0.974 55.811 54.840 -0.005 0.000 0.752 392 L CB -0.476 41.580 42.059 -0.006 0.000 0.899 392 L HN 0.237 nan 8.230 nan 0.000 0.433 393 V N -0.791 119.119 119.914 -0.005 0.000 2.427 393 V HA -0.186 3.935 4.120 0.001 0.000 0.248 393 V C 2.319 178.411 176.094 -0.004 0.000 1.051 393 V CA 1.331 63.628 62.300 -0.005 0.000 1.048 393 V CB -0.423 31.397 31.823 -0.005 0.000 0.666 393 V HN 0.389 nan 8.190 nan 0.000 0.456 394 E N -0.240 119.958 120.200 -0.004 0.000 2.472 394 E HA -0.010 4.341 4.350 0.001 0.000 0.200 394 E C 0.918 177.516 176.600 -0.003 0.000 1.046 394 E CA 0.071 56.469 56.400 -0.003 0.000 0.871 394 E CB -0.170 29.528 29.700 -0.003 0.000 0.806 394 E HN 0.541 nan 8.360 nan 0.000 0.533 395 R N 0.000 120.498 120.500 -0.003 0.000 2.786 395 R HA 0.000 4.341 4.340 0.001 0.000 0.208 395 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 395 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535