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 1uf2_1_P DATA FIRST_RESID 1 DATA SEQUENCE MSRQMWLDTS ALLEAISEYV VRCNGDTFSG LTTGDFNALS NMFTQLSXXX DATA SEQUENCE XXXXSDPRVP LQTMSNMFVS FITSTDRCGY MLRKTWFNSD TKPTVSDDFI DATA SEQUENCE TTYIRPRLQV PMSDTVRQLN NLSLQPSAKP KLYERQNAIM KGLDIPYSEP DATA SEQUENCE IEPCKLFRSV AGQTGNIPMM GILATPPAAQ QQPFFVAERR RILFGIRSNA DATA SEQUENCE AIPAGAYQFV VPAWASVLSV TGAYVYFTNS FFGTIIAGVT ATATAADAAT DATA SEQUENCE TFTVPTDANN LPVQTDSRLS FSLGGGNINL ELGVAKTGFC VAIEGEFTIL DATA SEQUENCE ANRSQAYYTL NSITQTPTSI DDFDVSDFLT TFLSQLRACG QYEIFSDAMD DATA SEQUENCE QLTNSLITNY MDPPAIPAGL AFTSPWFRFS ERARTILALQ NVDLNIRKLI DATA SEQUENCE VRHLWVITSL IAVFGRYYRP N 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 0.000 176.820 176.300 0.866 0.000 1.140 1 M CA 0.000 55.681 55.300 0.635 0.000 0.988 1 M CB 0.000 32.807 32.600 0.346 0.000 1.302 2 S N 1.117 117.133 115.700 0.526 0.000 2.542 2 S HA -0.064 4.406 4.470 -0.000 0.000 0.287 2 S C 1.268 176.092 174.600 0.375 0.000 1.315 2 S CA 0.895 59.313 58.200 0.362 0.000 1.037 2 S CB 0.419 63.732 63.200 0.189 0.000 0.822 2 S HN 0.670 nan 8.310 nan 0.000 0.513 3 R N 2.079 122.482 120.500 -0.161 0.000 2.152 3 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 3 R C 2.058 178.310 176.300 -0.080 0.000 1.117 3 R CA 1.650 57.389 56.100 -0.602 0.000 0.981 3 R CB -0.487 29.187 30.300 -1.043 0.000 0.870 3 R HN 0.651 nan 8.270 nan 0.000 0.451 4 Q N 1.562 121.364 119.800 0.002 0.000 1.990 4 Q HA -0.003 4.337 4.340 -0.000 0.000 0.200 4 Q C 2.154 178.262 176.000 0.179 0.000 0.980 4 Q CA 1.959 57.801 55.803 0.066 0.000 0.832 4 Q CB -0.201 28.560 28.738 0.038 0.000 0.897 4 Q HN 0.390 nan 8.270 nan 0.000 0.427 5 M N -1.348 118.378 119.600 0.210 0.000 2.521 5 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 5 M C 0.943 177.350 176.300 0.178 0.000 1.068 5 M CA 1.199 56.605 55.300 0.176 0.000 1.060 5 M CB -0.307 32.393 32.600 0.167 0.000 1.398 5 M HN 0.284 nan 8.290 nan 0.000 0.473 6 W N -0.360 121.088 121.300 0.247 0.000 2.630 6 W HA 0.131 4.791 4.660 -0.000 0.000 0.271 6 W C 1.859 178.553 176.519 0.293 0.000 1.244 6 W CA 0.301 57.831 57.345 0.308 0.000 1.353 6 W CB -0.069 29.643 29.460 0.419 0.000 1.080 6 W HN 0.051 nan 8.180 nan 0.000 0.594 7 L N -0.247 121.220 121.223 0.406 0.000 2.072 7 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 7 L C 1.816 178.877 176.870 0.317 0.000 1.079 7 L CA 1.159 56.211 54.840 0.353 0.000 0.752 7 L CB -0.653 41.553 42.059 0.244 0.000 0.906 7 L HN -0.184 nan 8.230 nan 0.000 0.436 8 D N -0.626 119.904 120.400 0.217 0.000 2.178 8 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 8 D C 2.019 178.346 176.300 0.046 0.000 0.980 8 D CA 1.323 55.385 54.000 0.103 0.000 0.842 8 D CB -0.025 40.813 40.800 0.063 0.000 0.948 8 D HN 0.165 nan 8.370 nan 0.000 0.472 9 T N -1.206 113.402 114.554 0.090 0.000 3.067 9 T HA -0.029 4.321 4.350 -0.000 0.000 0.257 9 T C 1.824 176.547 174.700 0.038 0.000 1.105 9 T CA 0.668 62.793 62.100 0.041 0.000 1.104 9 T CB 0.110 69.001 68.868 0.038 0.000 0.925 9 T HN 0.024 nan 8.240 nan 0.000 0.498 10 S N 1.134 116.952 115.700 0.198 0.000 2.414 10 S HA 0.133 4.603 4.470 -0.000 0.000 0.227 10 S C 2.326 176.952 174.600 0.044 0.000 1.022 10 S CA 0.890 59.201 58.200 0.184 0.000 0.958 10 S CB -0.241 63.199 63.200 0.400 0.000 0.797 10 S HN 0.463 nan 8.310 nan 0.000 0.493 11 A N 1.219 124.049 122.820 0.018 0.000 1.968 11 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 11 A C 2.066 179.548 177.584 -0.169 0.000 1.169 11 A CA 1.248 53.181 52.037 -0.172 0.000 0.638 11 A CB -0.685 18.021 19.000 -0.490 0.000 0.812 11 A HN 0.556 nan 8.150 nan 0.000 0.446 12 L N -0.123 121.016 121.223 -0.140 0.000 2.027 12 L HA -0.044 4.296 4.340 -0.000 0.000 0.206 12 L C 2.188 178.974 176.870 -0.139 0.000 1.074 12 L CA 1.686 56.436 54.840 -0.150 0.000 0.745 12 L CB -0.473 41.508 42.059 -0.130 0.000 0.898 12 L HN 0.379 nan 8.230 nan 0.000 0.433 13 L N -0.813 120.311 121.223 -0.165 0.000 2.201 13 L HA -0.152 4.188 4.340 -0.000 0.000 0.212 13 L C 2.263 179.102 176.870 -0.052 0.000 1.105 13 L CA 1.075 55.828 54.840 -0.144 0.000 0.775 13 L CB -0.574 41.286 42.059 -0.331 0.000 0.913 13 L HN 0.392 nan 8.230 nan 0.000 0.440 14 E N -0.142 120.030 120.200 -0.046 0.000 2.482 14 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 14 E C 1.949 178.567 176.600 0.030 0.000 1.047 14 E CA 0.600 57.015 56.400 0.025 0.000 0.869 14 E CB 0.233 29.968 29.700 0.057 0.000 0.836 14 E HN 0.465 nan 8.360 nan 0.000 0.520 15 A N 0.528 123.329 122.820 -0.031 0.000 1.973 15 A HA 0.066 4.386 4.320 -0.000 0.000 0.210 15 A C 1.944 179.519 177.584 -0.016 0.000 1.200 15 A CA 0.043 52.051 52.037 -0.048 0.000 0.707 15 A CB -0.066 18.811 19.000 -0.205 0.000 0.862 15 A HN 0.100 nan 8.150 nan 0.000 0.461 16 I N -0.037 120.508 120.570 -0.042 0.000 2.493 16 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 16 I C 2.729 178.920 176.117 0.122 0.000 1.160 16 I CA 1.290 62.591 61.300 0.001 0.000 1.445 16 I CB -0.049 37.975 38.000 0.041 0.000 1.086 16 I HN 0.450 nan 8.210 nan 0.000 0.433 17 S N 0.770 116.550 115.700 0.133 0.000 2.325 17 S HA -0.252 4.218 4.470 -0.000 0.000 0.213 17 S C 2.069 176.758 174.600 0.148 0.000 1.031 17 S CA 1.639 59.932 58.200 0.155 0.000 0.984 17 S CB -0.322 62.955 63.200 0.128 0.000 0.939 17 S HN 0.477 nan 8.310 nan 0.000 0.438 18 E N -0.906 119.387 120.200 0.155 0.000 2.108 18 E HA -0.256 4.094 4.350 -0.000 0.000 0.203 18 E C 1.803 178.477 176.600 0.122 0.000 1.022 18 E CA 1.918 58.404 56.400 0.144 0.000 0.823 18 E CB -0.352 29.463 29.700 0.193 0.000 0.744 18 E HN 0.733 nan 8.360 nan 0.000 0.456 19 Y N -0.425 119.866 120.300 -0.015 0.000 2.373 19 Y HA -0.064 4.486 4.550 -0.000 0.000 0.293 19 Y C 2.218 178.115 175.900 -0.005 0.000 1.129 19 Y CA 0.527 58.608 58.100 -0.032 0.000 1.226 19 Y CB -0.048 38.354 38.460 -0.097 0.000 1.000 19 Y HN -0.025 nan 8.280 nan 0.000 0.549 20 V N -1.201 118.807 119.914 0.155 0.000 2.667 20 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 20 V C 1.993 178.142 176.094 0.090 0.000 1.065 20 V CA 1.203 63.585 62.300 0.137 0.000 1.083 20 V CB -0.448 31.479 31.823 0.174 0.000 0.692 20 V HN 0.209 nan 8.190 nan 0.000 0.468 21 V N -0.349 119.603 119.914 0.064 0.000 2.346 21 V HA -0.154 3.966 4.120 -0.000 0.000 0.244 21 V C 2.477 178.567 176.094 -0.007 0.000 1.037 21 V CA 1.607 63.923 62.300 0.028 0.000 1.029 21 V CB -0.750 31.084 31.823 0.018 0.000 0.663 21 V HN 0.421 nan 8.190 nan 0.000 0.454 22 R N -0.545 119.923 120.500 -0.054 0.000 2.105 22 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 22 R C 2.163 178.435 176.300 -0.048 0.000 1.135 22 R CA 1.824 57.862 56.100 -0.103 0.000 0.967 22 R CB -0.620 29.517 30.300 -0.271 0.000 0.861 22 R HN 0.447 nan 8.270 nan 0.000 0.442 23 C N 0.296 119.596 119.300 -0.000 0.000 2.562 23 C HA 0.048 4.508 4.460 -0.000 0.000 0.266 23 C C 1.087 176.079 174.990 0.004 0.000 1.382 23 C CA -0.689 58.353 59.018 0.041 0.000 1.742 23 C CB -1.658 26.174 27.740 0.153 0.000 1.812 23 C HN 0.443 nan 8.230 nan 0.000 0.559 24 N N 0.586 119.287 118.700 0.002 0.000 2.452 24 N HA 0.277 5.017 4.740 -0.000 0.000 0.266 24 N C 1.066 176.542 175.510 -0.057 0.000 1.209 24 N CA 0.852 53.891 53.050 -0.018 0.000 0.929 24 N CB 0.162 38.650 38.487 0.002 0.000 1.063 24 N HN 0.503 nan 8.380 nan 0.000 0.472 25 G N 3.213 111.941 108.800 -0.119 0.000 2.160 25 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.251 25 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.251 25 G C -0.446 174.305 174.900 -0.248 0.000 1.008 25 G CA 0.164 45.164 45.100 -0.167 0.000 0.724 25 G HN 0.771 nan 8.290 nan 0.000 0.514 26 D N 0.209 120.424 120.400 -0.309 0.000 2.992 26 D HA 0.278 4.918 4.640 -0.000 0.000 0.372 26 D C 0.496 176.581 176.300 -0.358 0.000 1.374 26 D CA 0.541 54.401 54.000 -0.233 0.000 0.769 26 D CB 0.168 40.977 40.800 0.014 0.000 1.215 26 D HN 0.367 nan 8.370 nan 0.000 0.473 27 T N -1.031 113.080 114.554 -0.738 0.000 3.504 27 T HA 0.391 4.741 4.350 -0.000 0.000 0.286 27 T C 0.087 174.430 174.700 -0.594 0.000 1.530 27 T CA -0.557 61.221 62.100 -0.538 0.000 1.652 27 T CB -0.541 68.073 68.868 -0.423 0.000 0.895 27 T HN -0.149 nan 8.240 nan 0.000 0.674 28 F N 1.651 121.535 119.950 -0.110 0.000 2.375 28 F HA 0.382 4.909 4.527 -0.000 0.000 0.333 28 F C 2.124 177.866 175.800 -0.096 0.000 1.104 28 F CA -0.894 57.055 58.000 -0.085 0.000 1.149 28 F CB 0.963 39.928 39.000 -0.057 0.000 1.190 28 F HN 0.380 nan 8.300 nan 0.000 0.533 29 S N 1.056 116.814 115.700 0.097 0.000 2.365 29 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 29 S C 1.934 176.549 174.600 0.024 0.000 1.039 29 S CA 1.146 59.362 58.200 0.026 0.000 1.033 29 S CB -1.142 62.074 63.200 0.027 0.000 0.887 29 S HN 0.879 nan 8.310 nan 0.000 0.447 30 G N 1.138 109.964 108.800 0.043 0.000 3.088 30 G HA2 0.472 4.432 3.960 -0.000 0.000 0.212 30 G HA3 0.472 4.432 3.960 -0.000 0.000 0.212 30 G C 0.004 174.919 174.900 0.024 0.000 1.173 30 G CA -0.166 44.948 45.100 0.023 0.000 0.779 30 G HN 0.522 nan 8.290 nan 0.000 0.540 31 L N -0.589 120.656 121.223 0.037 0.000 2.445 31 L HA 0.551 4.891 4.340 -0.000 0.000 0.262 31 L C -0.660 176.227 176.870 0.028 0.000 0.974 31 L CA -0.978 53.885 54.840 0.038 0.000 0.822 31 L CB 2.022 44.112 42.059 0.052 0.000 1.339 31 L HN -0.124 nan 8.230 nan 0.000 0.409 32 T N -1.965 112.612 114.554 0.040 0.000 2.853 32 T HA 0.370 4.720 4.350 -0.000 0.000 0.317 32 T C 0.149 174.905 174.700 0.093 0.000 1.059 32 T CA -0.559 61.580 62.100 0.065 0.000 0.954 32 T CB 0.900 69.824 68.868 0.095 0.000 0.994 32 T HN 0.727 nan 8.240 nan 0.000 0.479 33 T N 2.125 116.742 114.554 0.105 0.000 2.860 33 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 33 T C 1.849 176.627 174.700 0.131 0.000 1.045 33 T CA 0.268 62.435 62.100 0.111 0.000 1.071 33 T CB 0.491 69.423 68.868 0.107 0.000 0.985 33 T HN 0.654 nan 8.240 nan 0.000 0.537 34 G N 2.498 111.353 108.800 0.091 0.000 2.476 34 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.218 34 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.218 34 G C 1.182 176.148 174.900 0.110 0.000 1.164 34 G CA 1.068 46.218 45.100 0.083 0.000 0.768 34 G HN 0.818 nan 8.290 nan 0.000 0.560 35 D N 0.085 120.548 120.400 0.105 0.000 2.104 35 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 35 D C 1.962 178.374 176.300 0.188 0.000 0.994 35 D CA 0.671 54.744 54.000 0.123 0.000 0.830 35 D CB -0.512 40.289 40.800 0.002 0.000 0.959 35 D HN 0.317 nan 8.370 nan 0.000 0.452 36 F N 1.204 121.171 119.950 0.027 0.000 2.365 36 F HA -0.118 4.409 4.527 -0.000 0.000 0.300 36 F C 1.889 177.678 175.800 -0.019 0.000 1.090 36 F CA 0.858 58.859 58.000 0.003 0.000 1.408 36 F CB -0.115 38.885 39.000 0.000 0.000 1.060 36 F HN -0.156 nan 8.300 nan 0.000 0.534 37 N N 0.405 119.127 118.700 0.036 0.000 2.216 37 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 37 N C 1.886 177.287 175.510 -0.181 0.000 1.017 37 N CA 1.406 54.416 53.050 -0.067 0.000 0.861 37 N CB -0.338 38.156 38.487 0.011 0.000 0.986 37 N HN 0.273 nan 8.380 nan 0.000 0.428 38 A N 0.675 123.422 122.820 -0.122 0.000 1.835 38 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 38 A C 2.155 179.499 177.584 -0.399 0.000 1.199 38 A CA 1.356 53.267 52.037 -0.211 0.000 0.615 38 A CB -1.254 17.679 19.000 -0.110 0.000 0.838 38 A HN 0.370 nan 8.150 nan 0.000 0.444 39 L N -0.079 120.912 121.223 -0.386 0.000 2.189 39 L HA -0.156 4.184 4.340 -0.000 0.000 0.214 39 L C 2.555 178.725 176.870 -1.168 0.000 1.097 39 L CA 2.285 56.712 54.840 -0.689 0.000 0.764 39 L CB -0.268 41.526 42.059 -0.442 0.000 0.900 39 L HN 0.393 nan 8.230 nan 0.000 0.436 40 S N -1.471 113.711 115.700 -0.864 0.000 2.478 40 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 40 S C 1.705 176.079 174.600 -0.375 0.000 1.008 40 S CA 0.613 58.410 58.200 -0.671 0.000 0.928 40 S CB -0.245 62.547 63.200 -0.679 0.000 0.781 40 S HN 0.574 nan 8.310 nan 0.000 0.518 41 N N 0.701 119.187 118.700 -0.357 0.000 2.392 41 N HA 0.226 4.966 4.740 -0.000 0.000 0.177 41 N C 1.320 176.693 175.510 -0.228 0.000 1.066 41 N CA 0.390 53.307 53.050 -0.221 0.000 0.895 41 N CB -0.085 38.294 38.487 -0.180 0.000 0.988 41 N HN 0.465 nan 8.380 nan 0.000 0.457 42 M N -0.770 118.611 119.600 -0.364 0.000 2.492 42 M HA 0.051 4.531 4.480 -0.000 0.000 0.262 42 M C 1.114 177.334 176.300 -0.133 0.000 1.090 42 M CA 0.909 56.025 55.300 -0.306 0.000 1.110 42 M CB -0.147 32.198 32.600 -0.426 0.000 1.407 42 M HN 0.074 nan 8.290 nan 0.000 0.470 43 F N -0.472 119.381 119.950 -0.162 0.000 2.335 43 F HA -0.060 4.467 4.527 -0.000 0.000 0.296 43 F C 2.391 178.118 175.800 -0.121 0.000 1.091 43 F CA 0.453 58.369 58.000 -0.140 0.000 1.399 43 F CB -0.202 38.711 39.000 -0.147 0.000 1.067 43 F HN 0.053 nan 8.300 nan 0.000 0.520 44 T N -0.716 113.872 114.554 0.057 0.000 2.881 44 T HA -0.159 4.191 4.350 -0.000 0.000 0.270 44 T C 1.417 176.095 174.700 -0.037 0.000 1.068 44 T CA 0.980 63.076 62.100 -0.006 0.000 1.131 44 T CB -0.190 68.654 68.868 -0.040 0.000 0.871 44 T HN 0.197 nan 8.240 nan 0.000 0.479 45 Q N 0.193 119.964 119.800 -0.048 0.000 2.217 45 Q HA 0.266 4.606 4.340 -0.000 0.000 0.226 45 Q C 0.365 176.323 176.000 -0.071 0.000 0.875 45 Q CA 0.043 55.803 55.803 -0.070 0.000 0.974 45 Q CB 0.401 29.086 28.738 -0.088 0.000 1.079 45 Q HN 0.322 nan 8.270 nan 0.000 0.463 46 L N -0.660 120.530 121.223 -0.055 0.000 2.906 46 L HA 0.205 4.545 4.340 -0.000 0.000 0.255 46 L C -0.076 176.692 176.870 -0.170 0.000 1.166 46 L CA 0.175 54.976 54.840 -0.066 0.000 0.977 46 L CB 0.421 42.496 42.059 0.027 0.000 1.313 46 L HN 0.019 nan 8.230 nan 0.000 0.549 56 D N 2.767 123.142 120.400 -0.040 0.000 2.454 56 D HA 0.435 5.075 4.640 -0.000 0.000 0.247 56 D C -1.987 174.208 176.300 -0.175 0.000 1.129 56 D CA -2.015 51.944 54.000 -0.068 0.000 0.877 56 D CB 1.842 42.611 40.800 -0.052 0.000 1.082 56 D HN 0.066 nan 8.370 nan 0.000 0.537 57 P HA -0.056 nan 4.420 nan 0.000 0.226 57 P C 1.101 178.100 177.300 -0.502 0.000 1.153 57 P CA 0.331 63.041 63.100 -0.650 0.000 0.777 57 P CB 0.614 31.715 31.700 -0.999 0.000 0.794 58 R N -0.157 120.176 120.500 -0.278 0.000 2.096 58 R HA -0.054 4.286 4.340 -0.000 0.000 0.235 58 R C 2.330 178.524 176.300 -0.176 0.000 1.127 58 R CA 1.092 57.069 56.100 -0.205 0.000 0.968 58 R CB -1.022 29.223 30.300 -0.092 0.000 0.861 58 R HN 0.086 nan 8.270 nan 0.000 0.440 59 V N 2.021 121.845 119.914 -0.150 0.000 2.223 59 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 59 V C -0.750 175.288 176.094 -0.094 0.000 1.045 59 V CA 2.048 64.291 62.300 -0.095 0.000 1.000 59 V CB -1.208 30.570 31.823 -0.074 0.000 0.635 59 V HN 0.297 nan 8.190 nan 0.000 0.445 60 P HA -0.149 nan 4.420 nan 0.000 0.218 60 P C 1.926 179.175 177.300 -0.084 0.000 1.149 60 P CA 1.576 64.619 63.100 -0.095 0.000 0.817 60 P CB 0.011 31.618 31.700 -0.154 0.000 0.785 61 L N -0.568 120.515 121.223 -0.234 0.000 2.109 61 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 61 L C 3.145 179.979 176.870 -0.061 0.000 1.086 61 L CA 1.321 55.995 54.840 -0.278 0.000 0.760 61 L CB -0.759 40.843 42.059 -0.762 0.000 0.910 61 L HN 0.033 nan 8.230 nan 0.000 0.437 62 Q N -0.400 119.385 119.800 -0.025 0.000 2.046 62 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 62 Q C 2.026 178.109 176.000 0.138 0.000 0.975 62 Q CA 2.132 58.002 55.803 0.111 0.000 0.836 62 Q CB 0.009 28.784 28.738 0.062 0.000 0.896 62 Q HN 0.329 nan 8.270 nan 0.000 0.428 63 T N 1.704 116.317 114.554 0.098 0.000 2.699 63 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 63 T C 1.673 176.469 174.700 0.160 0.000 1.036 63 T CA 1.648 63.831 62.100 0.139 0.000 1.147 63 T CB -0.270 68.681 68.868 0.139 0.000 0.862 63 T HN 0.375 nan 8.240 nan 0.000 0.446 64 M N 0.844 120.493 119.600 0.082 0.000 2.067 64 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 64 M C 2.452 178.812 176.300 0.101 0.000 1.069 64 M CA 1.712 56.898 55.300 -0.190 0.000 1.117 64 M CB -0.500 31.894 32.600 -0.343 0.000 1.334 64 M HN 0.154 nan 8.290 nan 0.000 0.407 65 S N 1.332 117.166 115.700 0.222 0.000 2.374 65 S HA -0.159 4.311 4.470 -0.000 0.000 0.227 65 S C 1.483 176.343 174.600 0.434 0.000 1.037 65 S CA 1.670 60.087 58.200 0.361 0.000 1.024 65 S CB -0.569 62.870 63.200 0.400 0.000 0.861 65 S HN 0.539 nan 8.310 nan 0.000 0.456 66 N N 1.293 120.243 118.700 0.417 0.000 2.043 66 N HA -0.029 4.711 4.740 -0.000 0.000 0.193 66 N C 1.677 177.389 175.510 0.337 0.000 1.037 66 N CA 1.233 54.556 53.050 0.455 0.000 0.851 66 N CB -0.449 38.230 38.487 0.320 0.000 1.027 66 N HN 0.399 nan 8.380 nan 0.000 0.422 67 M N -0.570 119.220 119.600 0.315 0.000 2.213 67 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 67 M C 1.859 178.294 176.300 0.226 0.000 1.062 67 M CA 1.066 56.564 55.300 0.331 0.000 1.105 67 M CB -0.243 32.632 32.600 0.458 0.000 1.385 67 M HN 0.072 nan 8.290 nan 0.000 0.417 68 F N 0.334 120.349 119.950 0.108 0.000 2.146 68 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 68 F C 1.904 177.616 175.800 -0.146 0.000 1.096 68 F CA 1.218 59.036 58.000 -0.304 0.000 1.275 68 F CB -0.286 38.761 39.000 0.079 0.000 1.008 68 F HN -0.217 nan 8.300 nan 0.000 0.480 69 V N -0.497 119.354 119.914 -0.106 0.000 2.358 69 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 69 V C 2.671 178.662 176.094 -0.173 0.000 1.047 69 V CA 1.943 64.103 62.300 -0.234 0.000 1.035 69 V CB -0.977 30.584 31.823 -0.437 0.000 0.658 69 V HN 0.522 nan 8.190 nan 0.000 0.452 70 S N -0.612 115.058 115.700 -0.049 0.000 2.383 70 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 70 S C 1.878 176.428 174.600 -0.084 0.000 1.030 70 S CA 2.076 60.270 58.200 -0.009 0.000 1.002 70 S CB -0.395 62.857 63.200 0.086 0.000 0.829 70 S HN 0.612 nan 8.310 nan 0.000 0.467 71 F N 1.286 121.020 119.950 -0.359 0.000 2.094 71 F HA 0.160 4.687 4.527 -0.000 0.000 0.291 71 F C 1.725 177.234 175.800 -0.485 0.000 1.109 71 F CA 1.104 58.849 58.000 -0.425 0.000 1.221 71 F CB -0.525 38.064 39.000 -0.685 0.000 1.014 71 F HN 0.221 nan 8.300 nan 0.000 0.473 72 I N 0.467 120.728 120.570 -0.514 0.000 3.164 72 I HA -0.160 4.010 4.170 -0.000 0.000 0.278 72 I C 1.664 177.463 176.117 -0.530 0.000 1.320 72 I CA 1.275 62.202 61.300 -0.623 0.000 1.422 72 I CB -0.873 36.656 38.000 -0.785 0.000 1.066 72 I HN 0.270 nan 8.210 nan 0.000 0.503 73 T N -1.761 112.535 114.554 -0.430 0.000 3.033 73 T HA 0.089 4.439 4.350 -0.000 0.000 0.248 73 T C 0.928 175.437 174.700 -0.319 0.000 1.040 73 T CA 0.471 62.358 62.100 -0.355 0.000 1.133 73 T CB 0.074 68.815 68.868 -0.211 0.000 0.895 73 T HN 0.279 nan 8.240 nan 0.000 0.465 74 S N 1.688 117.199 115.700 -0.317 0.000 2.400 74 S HA 0.147 4.617 4.470 -0.000 0.000 0.295 74 S C 1.280 175.690 174.600 -0.317 0.000 1.113 74 S CA -0.451 57.590 58.200 -0.265 0.000 1.064 74 S CB 0.375 63.453 63.200 -0.204 0.000 0.990 74 S HN 0.307 nan 8.310 nan 0.000 0.502 75 T N 4.152 118.548 114.554 -0.263 0.000 2.822 75 T HA -0.128 4.222 4.350 -0.000 0.000 0.270 75 T C 1.125 175.694 174.700 -0.217 0.000 1.064 75 T CA 1.583 63.532 62.100 -0.251 0.000 1.131 75 T CB -0.251 68.502 68.868 -0.192 0.000 0.858 75 T HN 0.665 nan 8.240 nan 0.000 0.483 76 D N 0.996 121.288 120.400 -0.180 0.000 2.144 76 D HA -0.040 4.600 4.640 -0.000 0.000 0.200 76 D C 2.308 178.525 176.300 -0.139 0.000 0.978 76 D CA 0.961 54.883 54.000 -0.131 0.000 0.833 76 D CB -0.063 40.680 40.800 -0.095 0.000 0.961 76 D HN 0.452 nan 8.370 nan 0.000 0.470 77 R N 0.411 120.778 120.500 -0.222 0.000 2.048 77 R HA 0.035 4.375 4.340 -0.000 0.000 0.221 77 R C 2.588 178.674 176.300 -0.357 0.000 1.174 77 R CA 1.149 57.104 56.100 -0.242 0.000 0.971 77 R CB -0.717 29.403 30.300 -0.300 0.000 0.863 77 R HN 0.268 nan 8.270 nan 0.000 0.439 78 C N 0.823 119.641 119.300 -0.804 0.000 2.525 78 C HA 0.236 4.696 4.460 -0.000 0.000 0.279 78 C C 2.225 176.980 174.990 -0.392 0.000 1.437 78 C CA -0.570 57.945 59.018 -0.839 0.000 1.704 78 C CB -1.539 25.498 27.740 -1.172 0.000 1.672 78 C HN 0.539 nan 8.230 nan 0.000 0.582 79 G N 1.468 110.127 108.800 -0.234 0.000 2.480 79 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 79 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 79 G C 1.279 176.083 174.900 -0.159 0.000 1.200 79 G CA 1.294 46.287 45.100 -0.177 0.000 0.782 79 G HN 0.875 nan 8.290 nan 0.000 0.554 80 Y N 0.051 120.255 120.300 -0.161 0.000 2.271 80 Y HA -0.180 4.370 4.550 -0.000 0.000 0.284 80 Y C 2.510 178.290 175.900 -0.200 0.000 1.189 80 Y CA 1.842 59.879 58.100 -0.106 0.000 1.229 80 Y CB -0.333 38.112 38.460 -0.025 0.000 0.973 80 Y HN 0.208 nan 8.280 nan 0.000 0.537 81 M N 0.194 119.013 119.600 -1.303 0.000 2.419 81 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 81 M C 1.250 177.149 176.300 -0.667 0.000 1.082 81 M CA 0.912 55.256 55.300 -1.593 0.000 1.119 81 M CB 0.026 31.608 32.600 -1.696 0.000 1.398 81 M HN 0.357 nan 8.290 nan 0.000 0.453 82 L N -0.391 120.583 121.223 -0.414 0.000 2.612 82 L HA 0.125 4.465 4.340 -0.000 0.000 0.230 82 L C 0.318 177.050 176.870 -0.231 0.000 1.140 82 L CA -0.062 54.614 54.840 -0.273 0.000 0.896 82 L CB -0.429 41.469 42.059 -0.269 0.000 1.065 82 L HN 0.141 nan 8.230 nan 0.000 0.447 83 R N 0.824 121.252 120.500 -0.119 0.000 2.428 83 R HA 0.142 4.482 4.340 -0.000 0.000 0.294 83 R C 1.190 177.464 176.300 -0.043 0.000 1.000 83 R CA -0.452 55.573 56.100 -0.126 0.000 0.960 83 R CB 1.129 31.399 30.300 -0.050 0.000 1.076 83 R HN 0.079 nan 8.270 nan 0.000 0.475 84 K N 0.445 120.624 120.400 -0.367 0.000 2.293 84 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 84 K C 0.866 177.538 176.600 0.120 0.000 1.045 84 K CA 1.838 57.958 56.287 -0.278 0.000 0.933 84 K CB -0.158 32.030 32.500 -0.521 0.000 0.736 84 K HN 0.395 nan 8.250 nan 0.000 0.463 85 T N 0.278 114.899 114.554 0.111 0.000 2.867 85 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 85 T C 1.124 175.964 174.700 0.233 0.000 1.057 85 T CA 1.201 63.396 62.100 0.157 0.000 1.136 85 T CB -0.253 68.695 68.868 0.134 0.000 0.874 85 T HN 0.548 nan 8.240 nan 0.000 0.466 86 W N 0.628 121.990 121.300 0.104 0.000 2.436 86 W HA 0.133 4.793 4.660 -0.000 0.000 0.284 86 W C 1.603 178.173 176.519 0.086 0.000 1.225 86 W CA 0.070 57.462 57.345 0.078 0.000 1.271 86 W CB -0.329 29.119 29.460 -0.020 0.000 1.114 86 W HN 0.242 nan 8.180 nan 0.000 0.559 87 F N 0.632 120.598 119.950 0.027 0.000 2.569 87 F HA 0.033 4.560 4.527 -0.000 0.000 0.295 87 F C 1.983 177.713 175.800 -0.117 0.000 1.115 87 F CA 1.219 59.094 58.000 -0.210 0.000 1.450 87 F CB -0.288 38.669 39.000 -0.071 0.000 1.107 87 F HN -0.232 nan 8.300 nan 0.000 0.563 88 N N -0.609 118.220 118.700 0.215 0.000 2.368 88 N HA -0.011 4.729 4.740 -0.000 0.000 0.176 88 N C 0.292 175.804 175.510 0.003 0.000 1.021 88 N CA 0.727 53.860 53.050 0.138 0.000 0.888 88 N CB 0.368 38.966 38.487 0.185 0.000 0.995 88 N HN 0.171 nan 8.380 nan 0.000 0.437 89 S N -0.371 115.311 115.700 -0.029 0.000 2.618 89 S HA 0.232 4.702 4.470 -0.000 0.000 0.277 89 S C -1.601 172.953 174.600 -0.076 0.000 1.138 89 S CA -0.716 57.458 58.200 -0.043 0.000 0.844 89 S CB 1.397 64.606 63.200 0.015 0.000 1.127 89 S HN -0.056 nan 8.310 nan 0.000 0.474 90 D N 2.545 122.913 120.400 -0.053 0.000 3.085 90 D HA 0.167 4.807 4.640 -0.000 0.000 0.243 90 D C -0.506 175.811 176.300 0.027 0.000 1.232 90 D CA 0.251 54.231 54.000 -0.033 0.000 0.913 90 D CB 0.025 40.807 40.800 -0.031 0.000 1.108 90 D HN 0.336 nan 8.370 nan 0.000 0.468 91 T N 0.897 115.487 114.554 0.060 0.000 2.743 91 T HA 0.127 4.477 4.350 -0.000 0.000 0.293 91 T C 0.654 175.441 174.700 0.144 0.000 0.945 91 T CA -0.603 61.554 62.100 0.095 0.000 1.030 91 T CB 1.344 70.274 68.868 0.104 0.000 0.912 91 T HN -0.055 nan 8.240 nan 0.000 0.483 92 K N 4.831 125.304 120.400 0.122 0.000 2.361 92 K HA 0.131 4.451 4.320 -0.000 0.000 0.283 92 K C -2.248 174.441 176.600 0.149 0.000 1.078 92 K CA -1.037 55.334 56.287 0.139 0.000 1.041 92 K CB -0.143 32.415 32.500 0.096 0.000 0.932 92 K HN 0.346 nan 8.250 nan 0.000 0.462 93 P HA 0.002 nan 4.420 nan 0.000 0.271 93 P C -0.447 176.900 177.300 0.078 0.000 1.216 93 P CA -0.363 62.845 63.100 0.179 0.000 0.776 93 P CB 0.662 32.534 31.700 0.286 0.000 0.881 94 T N -0.661 113.928 114.554 0.059 0.000 3.579 94 T HA 0.442 4.792 4.350 -0.000 0.000 0.328 94 T C 0.012 174.709 174.700 -0.005 0.000 1.481 94 T CA -0.618 61.499 62.100 0.029 0.000 1.144 94 T CB -0.981 67.908 68.868 0.036 0.000 1.205 94 T HN 0.253 nan 8.240 nan 0.000 0.812 95 V N -0.531 119.351 119.914 -0.052 0.000 2.569 95 V HA 0.805 4.925 4.120 -0.000 0.000 0.301 95 V C -0.196 175.865 176.094 -0.055 0.000 1.044 95 V CA -1.108 61.135 62.300 -0.095 0.000 0.874 95 V CB 1.424 33.074 31.823 -0.288 0.000 1.002 95 V HN 0.693 nan 8.190 nan 0.000 0.424 96 S N 2.474 118.168 115.700 -0.010 0.000 2.422 96 S HA 0.675 5.145 4.470 -0.000 0.000 0.308 96 S C -0.689 173.942 174.600 0.052 0.000 1.097 96 S CA -0.392 57.820 58.200 0.020 0.000 1.099 96 S CB 1.177 64.389 63.200 0.021 0.000 0.976 96 S HN 0.991 nan 8.310 nan 0.000 0.471 97 D N 2.167 122.622 120.400 0.092 0.000 2.855 97 D HA 0.183 4.823 4.640 -0.000 0.000 0.241 97 D C -0.004 176.408 176.300 0.188 0.000 1.277 97 D CA -0.341 53.761 54.000 0.169 0.000 0.918 97 D CB 1.990 42.960 40.800 0.283 0.000 1.462 97 D HN 0.368 nan 8.370 nan 0.000 0.559 98 D N 2.406 122.913 120.400 0.178 0.000 2.248 98 D HA -0.246 4.394 4.640 -0.000 0.000 0.189 98 D C 1.589 178.022 176.300 0.221 0.000 1.011 98 D CA 1.310 55.411 54.000 0.170 0.000 0.868 98 D CB -0.279 40.627 40.800 0.176 0.000 0.931 98 D HN 0.503 nan 8.370 nan 0.000 0.449 99 F N 0.984 121.021 119.950 0.145 0.000 2.025 99 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 99 F C 2.457 178.299 175.800 0.069 0.000 1.132 99 F CA 1.486 59.568 58.000 0.137 0.000 1.191 99 F CB -0.502 38.489 39.000 -0.015 0.000 0.963 99 F HN -0.074 nan 8.300 nan 0.000 0.481 100 I N -0.289 120.426 120.570 0.242 0.000 2.194 100 I HA -0.392 3.778 4.170 -0.000 0.000 0.246 100 I C 2.218 178.325 176.117 -0.016 0.000 1.093 100 I CA 1.948 63.303 61.300 0.091 0.000 1.355 100 I CB -0.813 37.307 38.000 0.201 0.000 1.046 100 I HN 0.275 nan 8.210 nan 0.000 0.413 101 T N -0.343 114.218 114.554 0.011 0.000 2.777 101 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 101 T C 1.881 176.517 174.700 -0.106 0.000 1.040 101 T CA 1.999 64.081 62.100 -0.030 0.000 1.141 101 T CB -0.257 68.608 68.868 -0.005 0.000 0.868 101 T HN 0.381 nan 8.240 nan 0.000 0.444 102 T N 0.482 114.944 114.554 -0.153 0.000 2.809 102 T HA 0.028 4.378 4.350 -0.000 0.000 0.260 102 T C 1.499 175.883 174.700 -0.526 0.000 1.039 102 T CA 1.058 62.953 62.100 -0.342 0.000 1.141 102 T CB -0.250 68.371 68.868 -0.411 0.000 0.869 102 T HN 0.450 nan 8.240 nan 0.000 0.437 103 Y N 0.258 120.321 120.300 -0.396 0.000 2.464 103 Y HA 0.356 4.906 4.550 -0.000 0.000 0.288 103 Y C 0.860 176.523 175.900 -0.395 0.000 1.133 103 Y CA -0.513 57.324 58.100 -0.439 0.000 1.223 103 Y CB 0.264 38.319 38.460 -0.675 0.000 1.187 103 Y HN 0.028 nan 8.280 nan 0.000 0.539 104 I N 3.028 123.405 120.570 -0.321 0.000 2.406 104 I HA 0.219 4.389 4.170 -0.000 0.000 0.293 104 I C -0.186 175.833 176.117 -0.163 0.000 1.101 104 I CA 0.307 61.399 61.300 -0.347 0.000 1.334 104 I CB -0.628 37.029 38.000 -0.571 0.000 1.421 104 I HN 0.258 nan 8.210 nan 0.000 0.513 105 R N 5.728 126.161 120.500 -0.113 0.000 2.734 105 R HA 0.471 4.811 4.340 -0.000 0.000 0.271 105 R C -2.808 173.475 176.300 -0.027 0.000 1.021 105 R CA -1.641 54.426 56.100 -0.054 0.000 0.893 105 R CB 1.936 32.193 30.300 -0.071 0.000 1.244 105 R HN 0.190 nan 8.270 nan 0.000 0.464 106 P HA 0.132 nan 4.420 nan 0.000 0.271 106 P C -0.275 177.014 177.300 -0.019 0.000 1.233 106 P CA -0.014 63.088 63.100 0.004 0.000 0.764 106 P CB 0.727 32.432 31.700 0.009 0.000 0.825 107 R N 2.230 122.718 120.500 -0.020 0.000 2.310 107 R HA 0.246 4.586 4.340 -0.000 0.000 0.199 107 R C 0.702 176.972 176.300 -0.050 0.000 0.891 107 R CA 0.016 56.089 56.100 -0.045 0.000 1.060 107 R CB 0.000 30.265 30.300 -0.059 0.000 1.188 107 R HN 0.410 nan 8.270 nan 0.000 0.607 108 L N 2.429 123.632 121.223 -0.035 0.000 2.417 108 L HA 0.151 4.491 4.340 -0.000 0.000 0.268 108 L C 0.708 177.561 176.870 -0.028 0.000 1.158 108 L CA -0.012 54.804 54.840 -0.040 0.000 0.819 108 L CB 0.598 42.645 42.059 -0.019 0.000 1.112 108 L HN 0.011 nan 8.230 nan 0.000 0.458 109 Q N 2.507 122.285 119.800 -0.035 0.000 2.307 109 Q HA 0.261 4.601 4.340 -0.000 0.000 0.259 109 Q C -1.004 174.987 176.000 -0.015 0.000 0.998 109 Q CA -0.284 55.502 55.803 -0.028 0.000 0.923 109 Q CB 1.526 30.243 28.738 -0.035 0.000 1.196 109 Q HN 0.475 nan 8.270 nan 0.000 0.416 110 V N 6.357 126.265 119.914 -0.010 0.000 2.612 110 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 110 V C -1.538 174.553 176.094 -0.006 0.000 1.046 110 V CA -1.413 60.885 62.300 -0.003 0.000 0.946 110 V CB 1.668 33.491 31.823 0.001 0.000 1.003 110 V HN 0.940 nan 8.190 nan 0.000 0.459 111 P HA 0.035 nan 4.420 nan 0.000 0.251 111 P C 1.296 178.596 177.300 -0.001 0.000 1.223 111 P CA 0.122 63.221 63.100 -0.001 0.000 0.796 111 P CB 0.334 32.033 31.700 -0.001 0.000 1.068 112 M N 1.476 121.073 119.600 -0.005 0.000 2.113 112 M HA -0.210 4.270 4.480 -0.000 0.000 0.255 112 M C 2.068 178.366 176.300 -0.003 0.000 1.073 112 M CA 2.015 57.311 55.300 -0.007 0.000 1.091 112 M CB -1.314 31.278 32.600 -0.012 0.000 1.309 112 M HN -0.161 nan 8.290 nan 0.000 0.407 113 S N 0.107 115.806 115.700 -0.002 0.000 2.368 113 S HA -0.246 4.224 4.470 -0.000 0.000 0.226 113 S C 1.670 176.285 174.600 0.026 0.000 1.044 113 S CA 1.927 60.131 58.200 0.007 0.000 1.062 113 S CB -0.822 62.385 63.200 0.013 0.000 0.931 113 S HN 0.652 nan 8.310 nan 0.000 0.440 114 D N 0.394 120.810 120.400 0.026 0.000 2.078 114 D HA -0.111 4.529 4.640 -0.000 0.000 0.193 114 D C 2.408 178.714 176.300 0.011 0.000 0.990 114 D CA 2.081 56.095 54.000 0.024 0.000 0.827 114 D CB -0.367 40.441 40.800 0.014 0.000 0.975 114 D HN 0.557 nan 8.370 nan 0.000 0.451 115 T N -1.590 112.966 114.554 0.004 0.000 2.685 115 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 115 T C 2.067 176.763 174.700 -0.006 0.000 1.034 115 T CA 1.681 63.779 62.100 -0.003 0.000 1.149 115 T CB -0.994 67.872 68.868 -0.004 0.000 0.860 115 T HN -0.005 nan 8.240 nan 0.000 0.449 116 V N 1.874 121.787 119.914 -0.001 0.000 2.261 116 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 116 V C 3.009 179.103 176.094 -0.000 0.000 1.047 116 V CA 2.203 64.502 62.300 -0.002 0.000 1.015 116 V CB -0.828 30.996 31.823 0.001 0.000 0.642 116 V HN 0.495 nan 8.190 nan 0.000 0.446 117 R N -0.359 120.150 120.500 0.015 0.000 2.096 117 R HA -0.242 4.098 4.340 -0.000 0.000 0.240 117 R C 2.423 178.713 176.300 -0.016 0.000 1.139 117 R CA 2.200 58.312 56.100 0.021 0.000 0.952 117 R CB -0.276 30.055 30.300 0.051 0.000 0.854 117 R HN 0.624 nan 8.270 nan 0.000 0.436 118 Q N 0.303 120.090 119.800 -0.022 0.000 2.002 118 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 118 Q C 2.370 178.325 176.000 -0.076 0.000 0.988 118 Q CA 1.785 57.560 55.803 -0.047 0.000 0.843 118 Q CB -0.228 28.493 28.738 -0.028 0.000 0.908 118 Q HN 0.401 nan 8.270 nan 0.000 0.420 119 L N 0.945 122.137 121.223 -0.052 0.000 2.137 119 L HA -0.285 4.055 4.340 -0.000 0.000 0.213 119 L C 2.216 179.040 176.870 -0.077 0.000 1.085 119 L CA 1.182 55.987 54.840 -0.057 0.000 0.760 119 L CB -0.421 41.618 42.059 -0.033 0.000 0.893 119 L HN 0.349 nan 8.230 nan 0.000 0.434 120 N N 0.376 119.037 118.700 -0.065 0.000 2.028 120 N HA -0.208 4.532 4.740 -0.000 0.000 0.194 120 N C 1.491 176.931 175.510 -0.116 0.000 1.050 120 N CA 1.673 54.686 53.050 -0.062 0.000 0.848 120 N CB -0.164 38.309 38.487 -0.023 0.000 1.038 120 N HN 0.188 nan 8.380 nan 0.000 0.423 121 N N 0.057 118.657 118.700 -0.167 0.000 2.242 121 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 121 N C 1.093 176.319 175.510 -0.473 0.000 1.005 121 N CA 0.746 53.619 53.050 -0.296 0.000 0.877 121 N CB -0.317 37.934 38.487 -0.393 0.000 0.983 121 N HN 0.302 nan 8.380 nan 0.000 0.439 122 L N 0.596 121.594 121.223 -0.375 0.000 2.558 122 L HA 0.085 4.425 4.340 -0.000 0.000 0.225 122 L C 0.858 177.657 176.870 -0.118 0.000 1.128 122 L CA 0.157 54.825 54.840 -0.287 0.000 0.868 122 L CB -0.253 41.682 42.059 -0.207 0.000 1.006 122 L HN 0.047 nan 8.230 nan 0.000 0.454 123 S N -1.813 113.835 115.700 -0.087 0.000 2.603 123 S HA 0.202 4.672 4.470 -0.000 0.000 0.268 123 S C 1.442 176.034 174.600 -0.013 0.000 1.317 123 S CA -0.595 57.583 58.200 -0.037 0.000 1.012 123 S CB 0.824 64.008 63.200 -0.026 0.000 0.926 123 S HN 0.158 nan 8.310 nan 0.000 0.539 124 L N 0.525 121.747 121.223 -0.000 0.000 1.970 124 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 124 L C 1.080 177.960 176.870 0.017 0.000 1.071 124 L CA 1.467 56.313 54.840 0.010 0.000 0.751 124 L CB -0.411 41.653 42.059 0.008 0.000 0.889 124 L HN 0.730 nan 8.230 nan 0.000 0.432 125 Q N -0.042 119.768 119.800 0.016 0.000 2.454 125 Q HA 0.347 4.686 4.340 -0.000 0.000 0.255 125 Q C -2.271 173.746 176.000 0.028 0.000 1.034 125 Q CA -1.657 54.160 55.803 0.023 0.000 0.736 125 Q CB 1.389 30.139 28.738 0.020 0.000 1.210 125 Q HN 0.133 nan 8.270 nan 0.000 0.500 126 P HA 0.125 nan 4.420 nan 0.000 0.278 126 P C -0.449 176.885 177.300 0.056 0.000 1.266 126 P CA -0.725 62.401 63.100 0.044 0.000 0.807 126 P CB 0.967 32.697 31.700 0.050 0.000 1.094 127 S N -0.016 115.723 115.700 0.065 0.000 2.544 127 S HA 0.179 4.649 4.470 -0.000 0.000 0.290 127 S C 1.326 175.979 174.600 0.087 0.000 1.276 127 S CA 0.098 58.343 58.200 0.075 0.000 1.075 127 S CB -0.323 62.930 63.200 0.089 0.000 0.849 127 S HN 0.476 nan 8.310 nan 0.000 0.494 128 A N 5.484 128.352 122.820 0.080 0.000 2.119 128 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 128 A C 0.794 178.443 177.584 0.109 0.000 1.152 128 A CA 0.804 52.894 52.037 0.088 0.000 0.708 128 A CB 0.073 19.115 19.000 0.070 0.000 0.805 128 A HN 0.658 nan 8.150 nan 0.000 0.460 129 K N 1.167 121.635 120.400 0.114 0.000 2.687 129 K HA 0.287 4.607 4.320 -0.000 0.000 0.197 129 K C -3.016 173.689 176.600 0.176 0.000 1.049 129 K CA -1.653 54.720 56.287 0.143 0.000 1.030 129 K CB 1.453 34.010 32.500 0.095 0.000 1.261 129 K HN 0.288 nan 8.250 nan 0.000 0.565 130 P HA 0.083 nan 4.420 nan 0.000 0.271 130 P C -0.105 177.370 177.300 0.292 0.000 1.233 130 P CA -0.205 63.023 63.100 0.213 0.000 0.789 130 P CB 1.268 33.083 31.700 0.191 0.000 0.951 131 K N 0.401 120.958 120.400 0.261 0.000 2.136 131 K HA 0.152 4.472 4.320 -0.000 0.000 0.237 131 K C 1.635 178.386 176.600 0.252 0.000 1.048 131 K CA -0.539 55.934 56.287 0.310 0.000 0.880 131 K CB 0.088 32.736 32.500 0.246 0.000 1.105 131 K HN 0.359 nan 8.250 nan 0.000 0.507 132 L N 0.180 121.500 121.223 0.162 0.000 2.072 132 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 132 L C 2.348 179.300 176.870 0.137 0.000 1.079 132 L CA 0.921 55.757 54.840 -0.008 0.000 0.752 132 L CB -0.388 41.572 42.059 -0.166 0.000 0.906 132 L HN 0.620 nan 8.230 nan 0.000 0.436 133 Y N 1.482 121.815 120.300 0.054 0.000 2.029 133 Y HA -0.444 4.106 4.550 -0.000 0.000 0.269 133 Y C 2.660 178.561 175.900 0.003 0.000 1.201 133 Y CA 2.441 60.568 58.100 0.044 0.000 1.115 133 Y CB -0.360 38.125 38.460 0.042 0.000 0.945 133 Y HN 0.264 nan 8.280 nan 0.000 0.497 134 E N -0.233 119.988 120.200 0.036 0.000 2.058 134 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 134 E C 2.443 178.874 176.600 -0.281 0.000 0.997 134 E CA 1.583 57.905 56.400 -0.130 0.000 0.801 134 E CB -0.280 29.428 29.700 0.013 0.000 0.746 134 E HN 0.508 nan 8.360 nan 0.000 0.450 135 R N -0.197 120.187 120.500 -0.193 0.000 2.152 135 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 135 R C 2.562 178.610 176.300 -0.420 0.000 1.117 135 R CA 1.646 57.521 56.100 -0.375 0.000 0.981 135 R CB -0.001 30.280 30.300 -0.031 0.000 0.870 135 R HN 0.357 nan 8.270 nan 0.000 0.451 136 Q N -0.217 119.501 119.800 -0.137 0.000 2.049 136 Q HA -0.081 4.259 4.340 -0.000 0.000 0.198 136 Q C 1.703 177.525 176.000 -0.296 0.000 0.971 136 Q CA 0.957 56.727 55.803 -0.055 0.000 0.833 136 Q CB -0.074 28.704 28.738 0.067 0.000 0.896 136 Q HN 0.312 nan 8.270 nan 0.000 0.434 137 N N 0.429 118.879 118.700 -0.417 0.000 2.289 137 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 137 N C 1.541 176.815 175.510 -0.393 0.000 1.016 137 N CA 1.202 53.995 53.050 -0.427 0.000 0.872 137 N CB -0.004 38.180 38.487 -0.506 0.000 0.973 137 N HN 0.232 nan 8.380 nan 0.000 0.433 138 A N 1.136 123.652 122.820 -0.507 0.000 1.855 138 A HA 0.040 4.360 4.320 -0.000 0.000 0.213 138 A C 2.267 179.579 177.584 -0.453 0.000 1.195 138 A CA 0.574 52.281 52.037 -0.550 0.000 0.610 138 A CB -0.495 17.851 19.000 -1.089 0.000 0.837 138 A HN 0.139 nan 8.150 nan 0.000 0.444 139 I N -0.887 119.330 120.570 -0.587 0.000 2.394 139 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 139 I C 2.668 178.653 176.117 -0.219 0.000 1.136 139 I CA 1.714 62.744 61.300 -0.450 0.000 1.425 139 I CB -0.131 37.415 38.000 -0.756 0.000 1.079 139 I HN 0.488 nan 8.210 nan 0.000 0.425 140 M N 0.349 119.762 119.600 -0.311 0.000 2.398 140 M HA -0.042 4.438 4.480 -0.000 0.000 0.261 140 M C 1.636 177.675 176.300 -0.435 0.000 1.125 140 M CA 1.581 56.579 55.300 -0.503 0.000 1.183 140 M CB 0.217 32.444 32.600 -0.621 0.000 1.322 140 M HN -0.108 nan 8.290 nan 0.000 0.467 141 K N 0.262 120.463 120.400 -0.331 0.000 2.404 141 K HA 0.199 4.519 4.320 -0.000 0.000 0.194 141 K C 0.541 177.042 176.600 -0.164 0.000 1.023 141 K CA 0.468 56.611 56.287 -0.241 0.000 1.094 141 K CB 0.190 32.558 32.500 -0.220 0.000 0.841 141 K HN 0.658 nan 8.250 nan 0.000 0.523 142 G N 2.382 111.085 108.800 -0.160 0.000 2.341 142 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.292 142 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.292 142 G C 0.042 174.893 174.900 -0.081 0.000 1.021 142 G CA 0.220 45.262 45.100 -0.097 0.000 0.905 142 G HN 0.176 nan 8.290 nan 0.000 0.508 143 L N -0.664 120.484 121.223 -0.125 0.000 2.468 143 L HA 0.418 4.758 4.340 -0.000 0.000 0.254 143 L C 0.848 177.683 176.870 -0.057 0.000 1.171 143 L CA -0.939 53.847 54.840 -0.091 0.000 0.809 143 L CB 0.348 42.332 42.059 -0.126 0.000 1.155 143 L HN 0.068 nan 8.230 nan 0.000 0.473 144 D N 0.565 120.961 120.400 -0.007 0.000 2.344 144 D HA 0.337 4.977 4.640 -0.000 0.000 0.244 144 D C -0.529 175.797 176.300 0.043 0.000 1.134 144 D CA 0.013 54.048 54.000 0.058 0.000 0.930 144 D CB 2.009 42.886 40.800 0.130 0.000 1.175 144 D HN 0.231 nan 8.370 nan 0.000 0.437 145 I N 1.739 122.377 120.570 0.114 0.000 2.562 145 I HA 0.242 4.412 4.170 -0.000 0.000 0.301 145 I C -2.202 174.016 176.117 0.169 0.000 1.003 145 I CA -2.586 58.782 61.300 0.113 0.000 1.127 145 I CB 2.317 40.425 38.000 0.179 0.000 1.304 145 I HN 0.073 nan 8.210 nan 0.000 0.446 146 P HA -0.112 nan 4.420 nan 0.000 0.262 146 P C -0.116 177.323 177.300 0.231 0.000 1.182 146 P CA 0.286 63.436 63.100 0.083 0.000 0.761 146 P CB 0.234 31.961 31.700 0.046 0.000 0.795 147 Y N 1.280 121.604 120.300 0.040 0.000 2.193 147 Y HA -0.147 4.403 4.550 -0.000 0.000 0.285 147 Y C 2.409 178.329 175.900 0.034 0.000 1.166 147 Y CA 1.175 59.297 58.100 0.036 0.000 1.181 147 Y CB -1.622 36.853 38.460 0.025 0.000 0.976 147 Y HN 0.320 nan 8.280 nan 0.000 0.520 148 S N -0.645 115.168 115.700 0.188 0.000 2.575 148 S HA -0.004 4.466 4.470 -0.000 0.000 0.215 148 S C 0.627 175.285 174.600 0.096 0.000 0.966 148 S CA -0.313 57.955 58.200 0.113 0.000 0.911 148 S CB -0.199 63.047 63.200 0.077 0.000 0.780 148 S HN 0.391 nan 8.310 nan 0.000 0.514 149 E N 3.230 123.499 120.200 0.114 0.000 2.344 149 E HA 0.105 4.455 4.350 -0.000 0.000 0.270 149 E C -2.410 174.258 176.600 0.113 0.000 1.021 149 E CA -1.771 54.696 56.400 0.112 0.000 0.887 149 E CB 0.708 30.486 29.700 0.130 0.000 0.997 149 E HN 0.116 nan 8.360 nan 0.000 0.429 150 P HA 0.336 nan 4.420 nan 0.000 0.283 150 P C -0.995 176.376 177.300 0.118 0.000 1.271 150 P CA -0.506 62.661 63.100 0.113 0.000 0.841 150 P CB 1.047 32.808 31.700 0.103 0.000 1.122 151 I N -3.709 116.933 120.570 0.120 0.000 3.004 151 I HA 0.456 4.626 4.170 -0.000 0.000 0.305 151 I C -0.816 175.338 176.117 0.062 0.000 1.312 151 I CA -1.273 60.075 61.300 0.081 0.000 0.992 151 I CB 1.353 39.363 38.000 0.016 0.000 1.282 151 I HN 0.170 nan 8.210 nan 0.000 0.449 152 E N 4.943 125.157 120.200 0.023 0.000 2.180 152 E HA 0.241 4.590 4.350 -0.000 0.000 0.283 152 E C -1.771 174.790 176.600 -0.066 0.000 1.061 152 E CA -1.528 54.854 56.400 -0.030 0.000 0.861 152 E CB 0.851 30.553 29.700 0.003 0.000 1.056 152 E HN 0.507 nan 8.360 nan 0.000 0.407 153 P HA -0.275 nan 4.420 nan 0.000 0.216 153 P C 1.539 178.868 177.300 0.049 0.000 1.153 153 P CA 1.333 64.398 63.100 -0.059 0.000 0.858 153 P CB -0.133 31.394 31.700 -0.290 0.000 0.789 154 C N -0.700 118.597 119.300 -0.006 0.000 2.413 154 C HA 0.026 4.486 4.460 -0.000 0.000 0.292 154 C C 2.399 177.410 174.990 0.034 0.000 1.435 154 C CA 0.295 59.318 59.018 0.009 0.000 1.791 154 C CB -1.950 25.835 27.740 0.076 0.000 1.784 154 C HN 0.141 nan 8.230 nan 0.000 0.548 155 K N 0.069 120.497 120.400 0.048 0.000 2.137 155 K HA 0.112 4.432 4.320 -0.000 0.000 0.202 155 K C 2.031 178.726 176.600 0.158 0.000 1.052 155 K CA 0.539 56.883 56.287 0.095 0.000 0.961 155 K CB -0.269 32.287 32.500 0.093 0.000 0.741 155 K HN 0.307 nan 8.250 nan 0.000 0.452 156 L N 1.081 122.340 121.223 0.060 0.000 2.349 156 L HA -0.043 4.297 4.340 -0.000 0.000 0.220 156 L C 0.580 177.592 176.870 0.238 0.000 1.130 156 L CA 0.975 55.903 54.840 0.147 0.000 0.791 156 L CB -0.854 41.302 42.059 0.162 0.000 0.918 156 L HN 0.062 nan 8.230 nan 0.000 0.444 157 F N 0.911 120.728 119.950 -0.221 0.000 2.572 157 F HA 0.210 4.737 4.527 -0.000 0.000 0.370 157 F C 0.743 176.313 175.800 -0.384 0.000 1.103 157 F CA 0.045 57.590 58.000 -0.759 0.000 1.286 157 F CB 0.305 38.760 39.000 -0.909 0.000 1.105 157 F HN -0.090 nan 8.300 nan 0.000 0.583 158 R N 2.175 121.886 120.500 -1.316 0.000 2.905 158 R HA 0.486 4.826 4.340 -0.000 0.000 0.260 158 R C -0.976 174.613 176.300 -1.185 0.000 1.086 158 R CA -0.998 54.629 56.100 -0.788 0.000 0.978 158 R CB 1.722 31.862 30.300 -0.266 0.000 1.215 158 R HN 0.581 nan 8.270 nan 0.000 0.480 159 S N -0.296 115.097 115.700 -0.512 0.000 2.562 159 S HA 0.534 5.004 4.470 -0.000 0.000 0.275 159 S C -0.740 173.793 174.600 -0.111 0.000 1.281 159 S CA -0.628 57.409 58.200 -0.272 0.000 1.045 159 S CB 1.348 64.507 63.200 -0.067 0.000 0.962 159 S HN 0.295 nan 8.310 nan 0.000 0.503 160 V N 1.958 121.878 119.914 0.011 0.000 3.074 160 V HA 0.683 4.803 4.120 -0.000 0.000 0.314 160 V C 0.987 177.127 176.094 0.076 0.000 1.117 160 V CA -0.184 62.157 62.300 0.068 0.000 1.014 160 V CB 1.527 33.434 31.823 0.141 0.000 1.057 160 V HN 0.958 nan 8.190 nan 0.000 0.438 161 A N 3.120 125.973 122.820 0.055 0.000 1.882 161 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 161 A C 2.051 179.674 177.584 0.065 0.000 1.253 161 A CA 3.076 55.141 52.037 0.047 0.000 0.664 161 A CB -1.684 17.334 19.000 0.031 0.000 0.838 161 A HN 1.674 nan 8.150 nan 0.000 0.460 162 G N -0.020 108.828 108.800 0.080 0.000 2.771 162 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.214 162 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.214 162 G C 0.855 175.827 174.900 0.119 0.000 1.331 162 G CA 1.088 46.245 45.100 0.096 0.000 0.812 162 G HN 0.958 nan 8.290 nan 0.000 0.628 163 Q N -0.560 119.344 119.800 0.173 0.000 2.241 163 Q HA 0.503 4.843 4.340 -0.000 0.000 0.254 163 Q C 0.701 176.818 176.000 0.196 0.000 0.917 163 Q CA 0.090 56.007 55.803 0.190 0.000 0.919 163 Q CB 1.748 30.638 28.738 0.254 0.000 1.237 163 Q HN 0.155 nan 8.270 nan 0.000 0.434 164 T N 1.560 116.205 114.554 0.152 0.000 2.812 164 T HA 0.142 4.492 4.350 -0.000 0.000 0.264 164 T C 0.565 175.388 174.700 0.207 0.000 1.042 164 T CA 1.204 63.385 62.100 0.134 0.000 1.140 164 T CB -0.241 68.679 68.868 0.086 0.000 0.870 164 T HN 0.773 nan 8.240 nan 0.000 0.445 165 G N -0.497 108.444 108.800 0.235 0.000 2.725 165 G HA2 0.470 4.430 3.960 -0.000 0.000 0.288 165 G HA3 0.470 4.430 3.960 -0.000 0.000 0.288 165 G C -0.017 174.937 174.900 0.091 0.000 1.399 165 G CA -0.312 44.958 45.100 0.283 0.000 0.859 165 G HN 0.184 nan 8.290 nan 0.000 0.479 166 N N -0.747 117.754 118.700 -0.332 0.000 2.335 166 N HA 0.010 4.750 4.740 -0.000 0.000 0.197 166 N C 2.145 177.584 175.510 -0.120 0.000 1.045 166 N CA 0.368 53.041 53.050 -0.628 0.000 0.928 166 N CB -0.067 37.560 38.487 -1.432 0.000 1.118 166 N HN 0.290 nan 8.380 nan 0.000 0.471 167 I N 1.675 122.167 120.570 -0.130 0.000 2.194 167 I HA -0.161 4.009 4.170 -0.000 0.000 0.246 167 I C -0.709 175.407 176.117 -0.001 0.000 1.093 167 I CA 1.441 62.691 61.300 -0.084 0.000 1.355 167 I CB -2.202 35.653 38.000 -0.243 0.000 1.046 167 I HN 0.233 nan 8.210 nan 0.000 0.413 168 P HA -0.169 nan 4.420 nan 0.000 0.215 168 P C 1.982 179.286 177.300 0.008 0.000 1.157 168 P CA 1.278 64.375 63.100 -0.005 0.000 0.874 168 P CB -0.140 31.563 31.700 0.005 0.000 0.790 169 M N -1.862 117.737 119.600 -0.002 0.000 2.327 169 M HA -0.223 4.257 4.480 -0.000 0.000 0.258 169 M C 2.085 178.345 176.300 -0.066 0.000 1.079 169 M CA 1.634 56.899 55.300 -0.057 0.000 1.056 169 M CB -1.415 31.106 32.600 -0.132 0.000 1.387 169 M HN 0.122 nan 8.290 nan 0.000 0.423 170 M N -0.069 119.579 119.600 0.080 0.000 2.082 170 M HA -0.188 4.292 4.480 -0.000 0.000 0.258 170 M C 2.099 178.427 176.300 0.045 0.000 1.071 170 M CA 2.399 57.808 55.300 0.182 0.000 1.103 170 M CB -0.721 32.017 32.600 0.230 0.000 1.307 170 M HN 0.319 nan 8.290 nan 0.000 0.409 171 G N 0.568 109.377 108.800 0.016 0.000 2.476 171 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 171 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 171 G C 1.416 176.301 174.900 -0.025 0.000 1.164 171 G CA 1.367 46.463 45.100 -0.005 0.000 0.768 171 G HN 0.553 nan 8.290 nan 0.000 0.560 172 I N -0.025 120.521 120.570 -0.040 0.000 2.142 172 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 172 I C 2.594 178.652 176.117 -0.097 0.000 1.078 172 I CA 0.634 61.898 61.300 -0.059 0.000 1.343 172 I CB -0.306 37.658 38.000 -0.059 0.000 1.046 172 I HN 0.074 nan 8.210 nan 0.000 0.405 173 L N 0.866 121.991 121.223 -0.163 0.000 2.189 173 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 173 L C 2.420 179.210 176.870 -0.134 0.000 1.097 173 L CA 1.806 56.500 54.840 -0.242 0.000 0.764 173 L CB -0.968 40.847 42.059 -0.406 0.000 0.900 173 L HN 0.221 nan 8.230 nan 0.000 0.436 174 A N -2.243 120.535 122.820 -0.070 0.000 2.208 174 A HA 0.095 4.415 4.320 -0.000 0.000 0.209 174 A C 0.959 178.526 177.584 -0.029 0.000 1.161 174 A CA 0.372 52.389 52.037 -0.033 0.000 0.782 174 A CB -0.573 18.423 19.000 -0.006 0.000 0.816 174 A HN 0.315 nan 8.150 nan 0.000 0.477 175 T N 2.466 116.998 114.554 -0.037 0.000 2.767 175 T HA 0.454 4.804 4.350 -0.000 0.000 0.284 175 T C -2.757 171.927 174.700 -0.027 0.000 0.973 175 T CA -1.168 60.916 62.100 -0.026 0.000 0.996 175 T CB 1.242 70.096 68.868 -0.024 0.000 0.927 175 T HN 0.011 nan 8.240 nan 0.000 0.456 176 P HA 0.090 nan 4.420 nan 0.000 0.261 176 P C -2.121 175.171 177.300 -0.013 0.000 1.173 176 P CA -0.738 62.353 63.100 -0.013 0.000 0.760 176 P CB -0.158 31.538 31.700 -0.007 0.000 0.783 177 P HA 0.186 nan 4.420 nan 0.000 0.278 177 P C -0.193 177.106 177.300 -0.001 0.000 1.258 177 P CA -0.348 62.747 63.100 -0.008 0.000 0.811 177 P CB 1.373 33.068 31.700 -0.007 0.000 1.063 178 A N 1.271 124.092 122.820 0.002 0.000 1.871 178 A HA 0.483 4.803 4.320 -0.000 0.000 0.211 178 A C 1.115 178.704 177.584 0.008 0.000 1.207 178 A CA 1.480 53.520 52.037 0.005 0.000 0.620 178 A CB -0.831 18.172 19.000 0.005 0.000 0.860 178 A HN 0.766 nan 8.150 nan 0.000 0.450 179 A N -1.464 121.362 122.820 0.010 0.000 2.564 179 A HA 0.589 4.909 4.320 -0.000 0.000 0.288 179 A C -0.463 177.131 177.584 0.017 0.000 1.164 179 A CA -0.404 51.641 52.037 0.014 0.000 0.712 179 A CB 0.275 19.284 19.000 0.016 0.000 1.303 179 A HN 0.312 nan 8.150 nan 0.000 0.418 180 Q N 0.793 120.606 119.800 0.022 0.000 2.242 180 Q HA 0.094 4.434 4.340 -0.000 0.000 0.284 180 Q C -0.031 175.984 176.000 0.025 0.000 1.130 180 Q CA 0.617 56.435 55.803 0.024 0.000 0.940 180 Q CB 0.068 28.828 28.738 0.036 0.000 1.146 180 Q HN 0.646 nan 8.270 nan 0.000 0.388 181 Q N 2.090 121.906 119.800 0.026 0.000 2.189 181 Q HA 0.162 4.502 4.340 -0.000 0.000 0.193 181 Q C -0.574 175.451 176.000 0.042 0.000 1.034 181 Q CA -0.602 55.223 55.803 0.035 0.000 1.062 181 Q CB 0.642 29.405 28.738 0.042 0.000 1.118 181 Q HN 0.587 nan 8.270 nan 0.000 0.569 182 Q N 1.079 120.912 119.800 0.055 0.000 2.396 182 Q HA 0.231 4.571 4.340 -0.000 0.000 0.221 182 Q C -2.233 173.824 176.000 0.094 0.000 1.025 182 Q CA -1.286 54.549 55.803 0.053 0.000 0.946 182 Q CB 0.385 29.157 28.738 0.057 0.000 1.224 182 Q HN 0.312 nan 8.270 nan 0.000 0.539 183 P HA 0.118 nan 4.420 nan 0.000 0.272 183 P C -1.283 176.168 177.300 0.251 0.000 1.223 183 P CA -0.047 63.125 63.100 0.120 0.000 0.784 183 P CB 0.326 32.046 31.700 0.033 0.000 0.923 184 F N -0.615 119.483 119.950 0.248 0.000 2.563 184 F HA 0.710 5.237 4.527 -0.000 0.000 0.316 184 F C -1.474 174.543 175.800 0.361 0.000 1.076 184 F CA -1.566 56.568 58.000 0.223 0.000 0.921 184 F CB 1.464 40.501 39.000 0.060 0.000 1.209 184 F HN 0.078 nan 8.300 nan 0.000 0.462 185 F N 4.635 124.801 119.950 0.359 0.000 2.691 185 F HA 0.545 5.072 4.527 -0.000 0.000 0.371 185 F C -0.593 175.499 175.800 0.487 0.000 1.159 185 F CA -0.934 57.276 58.000 0.350 0.000 1.174 185 F CB 1.053 40.234 39.000 0.302 0.000 1.419 185 F HN 0.643 nan 8.300 nan 0.000 0.514 186 V N 1.047 121.119 119.914 0.263 0.000 3.109 186 V HA 0.990 5.110 4.120 -0.000 0.000 0.317 186 V C -0.327 175.911 176.094 0.240 0.000 1.074 186 V CA -0.636 61.749 62.300 0.141 0.000 1.033 186 V CB 1.464 33.056 31.823 -0.386 0.000 1.111 186 V HN 0.716 nan 8.190 nan 0.000 0.458 187 A N 1.015 124.002 122.820 0.279 0.000 2.459 187 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 187 A C -0.490 177.188 177.584 0.157 0.000 1.039 187 A CA -0.694 51.470 52.037 0.211 0.000 0.698 187 A CB 1.405 20.550 19.000 0.241 0.000 1.261 187 A HN 0.946 nan 8.150 nan 0.000 0.405 188 E N 0.424 120.561 120.200 -0.104 0.000 3.232 188 E HA 0.398 4.748 4.350 -0.000 0.000 0.248 188 E C 0.812 177.240 176.600 -0.287 0.000 1.048 188 E CA -0.855 55.232 56.400 -0.523 0.000 1.204 188 E CB 0.744 29.940 29.700 -0.839 0.000 1.535 188 E HN 0.623 nan 8.360 nan 0.000 0.567 189 R N 0.332 120.639 120.500 -0.322 0.000 2.062 189 R HA 0.033 4.373 4.340 -0.000 0.000 0.226 189 R C 2.026 178.233 176.300 -0.154 0.000 1.125 189 R CA 0.987 57.004 56.100 -0.139 0.000 0.966 189 R CB 0.040 30.299 30.300 -0.070 0.000 0.861 189 R HN 0.210 nan 8.270 nan 0.000 0.433 190 R N 0.628 121.033 120.500 -0.159 0.000 2.432 190 R HA 0.092 4.432 4.340 -0.000 0.000 0.260 190 R C -0.361 175.904 176.300 -0.059 0.000 0.935 190 R CA -0.047 56.011 56.100 -0.069 0.000 1.080 190 R CB 0.410 30.717 30.300 0.011 0.000 1.155 190 R HN 0.081 nan 8.270 nan 0.000 0.531 191 R N -1.221 119.149 120.500 -0.217 0.000 2.747 191 R HA 0.408 4.748 4.340 -0.000 0.000 0.272 191 R C -1.385 174.784 176.300 -0.219 0.000 1.032 191 R CA -0.869 55.157 56.100 -0.124 0.000 0.896 191 R CB 0.899 31.215 30.300 0.027 0.000 1.253 191 R HN -0.079 nan 8.270 nan 0.000 0.461 192 I N 1.647 122.199 120.570 -0.031 0.000 2.509 192 I HA 0.422 4.592 4.170 -0.000 0.000 0.293 192 I C -0.844 175.210 176.117 -0.106 0.000 1.020 192 I CA -1.120 60.164 61.300 -0.027 0.000 1.088 192 I CB 2.061 40.128 38.000 0.113 0.000 1.267 192 I HN 0.363 nan 8.210 nan 0.000 0.430 193 L N 6.642 127.772 121.223 -0.154 0.000 2.354 193 L HA 0.659 4.999 4.340 -0.000 0.000 0.269 193 L C -1.189 175.463 176.870 -0.364 0.000 1.005 193 L CA -0.825 53.875 54.840 -0.234 0.000 0.819 193 L CB 1.923 43.970 42.059 -0.019 0.000 1.311 193 L HN 0.497 nan 8.230 nan 0.000 0.423 194 F N 0.126 119.752 119.950 -0.541 0.000 2.688 194 F HA 0.922 5.449 4.527 -0.000 0.000 0.308 194 F C -0.396 174.883 175.800 -0.868 0.000 1.117 194 F CA -0.528 56.980 58.000 -0.819 0.000 0.976 194 F CB 1.397 39.969 39.000 -0.714 0.000 1.291 194 F HN 0.622 nan 8.300 nan 0.000 0.439 195 G N 1.342 109.578 108.800 -0.940 0.000 2.335 195 G HA2 0.514 4.474 3.960 -0.000 0.000 0.291 195 G HA3 0.514 4.474 3.960 -0.000 0.000 0.291 195 G C -2.386 172.195 174.900 -0.531 0.000 1.261 195 G CA -0.594 44.127 45.100 -0.632 0.000 0.871 195 G HN 0.909 nan 8.290 nan 0.000 0.491 196 I N 0.921 121.046 120.570 -0.741 0.000 2.548 196 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 196 I C -0.087 175.893 176.117 -0.228 0.000 1.103 196 I CA -0.842 60.238 61.300 -0.367 0.000 1.049 196 I CB 2.232 39.964 38.000 -0.448 0.000 1.232 196 I HN 0.315 nan 8.210 nan 0.000 0.429 197 R N 3.480 123.993 120.500 0.022 0.000 2.457 197 R HA 0.773 5.113 4.340 -0.000 0.000 0.284 197 R C -0.388 175.905 176.300 -0.011 0.000 1.024 197 R CA -0.613 55.492 56.100 0.008 0.000 1.025 197 R CB 1.927 32.239 30.300 0.020 0.000 1.063 197 R HN 0.642 nan 8.270 nan 0.000 0.493 198 S N -0.065 115.630 115.700 -0.009 0.000 2.567 198 S HA 0.114 4.584 4.470 -0.000 0.000 0.270 198 S C -0.137 174.467 174.600 0.008 0.000 1.152 198 S CA -0.850 57.352 58.200 0.004 0.000 0.835 198 S CB 1.143 64.350 63.200 0.011 0.000 1.115 198 S HN 0.825 nan 8.310 nan 0.000 0.459 199 N N 1.573 120.280 118.700 0.011 0.000 2.325 199 N HA 0.267 5.007 4.740 -0.000 0.000 0.182 199 N C 0.130 175.649 175.510 0.015 0.000 1.088 199 N CA 0.264 53.321 53.050 0.011 0.000 0.879 199 N CB 0.420 38.913 38.487 0.009 0.000 0.983 199 N HN 0.646 nan 8.380 nan 0.000 0.471 200 A N 0.224 123.057 122.820 0.021 0.000 2.475 200 A HA 0.761 5.081 4.320 -0.000 0.000 0.301 200 A C -0.311 177.295 177.584 0.037 0.000 1.059 200 A CA -0.502 51.550 52.037 0.026 0.000 0.710 200 A CB 1.236 20.252 19.000 0.027 0.000 1.288 200 A HN 0.338 nan 8.150 nan 0.000 0.408 201 A N 0.970 123.812 122.820 0.038 0.000 2.616 201 A HA 0.331 4.651 4.320 -0.000 0.000 0.234 201 A C -0.049 177.580 177.584 0.075 0.000 1.024 201 A CA 0.769 52.836 52.037 0.050 0.000 0.758 201 A CB -0.574 18.452 19.000 0.043 0.000 0.939 201 A HN 0.768 nan 8.150 nan 0.000 0.510 202 I N 5.047 125.677 120.570 0.100 0.000 2.355 202 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 202 I C -1.778 174.450 176.117 0.184 0.000 0.999 202 I CA -2.147 59.245 61.300 0.154 0.000 1.163 202 I CB 1.791 39.884 38.000 0.156 0.000 1.316 202 I HN 0.565 nan 8.210 nan 0.000 0.454 203 P HA 0.025 nan 4.420 nan 0.000 0.269 203 P C -0.237 177.216 177.300 0.255 0.000 1.211 203 P CA -0.197 63.014 63.100 0.185 0.000 0.781 203 P CB 0.783 32.568 31.700 0.142 0.000 0.877 204 A N 1.266 124.184 122.820 0.162 0.000 2.366 204 A HA 0.587 4.907 4.320 -0.000 0.000 0.250 204 A C 0.829 178.521 177.584 0.181 0.000 1.099 204 A CA 0.772 52.908 52.037 0.164 0.000 0.794 204 A CB -0.896 18.157 19.000 0.088 0.000 1.056 204 A HN 0.986 nan 8.150 nan 0.000 0.499 205 G N -2.078 106.826 108.800 0.174 0.000 2.343 205 G HA2 0.534 4.494 3.960 -0.000 0.000 0.562 205 G HA3 0.534 4.494 3.960 -0.000 0.000 0.562 205 G C -0.212 174.757 174.900 0.115 0.000 1.269 205 G CA -0.170 44.976 45.100 0.076 0.000 1.011 205 G HN 2.155 nan 8.290 nan 0.000 0.498 206 A N -0.809 121.986 122.820 -0.042 0.000 2.302 206 A HA 0.889 5.209 4.320 -0.000 0.000 0.285 206 A C -1.044 176.440 177.584 -0.168 0.000 1.105 206 A CA -0.133 51.920 52.037 0.028 0.000 0.816 206 A CB 0.670 19.674 19.000 0.007 0.000 1.067 206 A HN 1.550 nan 8.150 nan 0.000 0.489 207 Y N -0.266 120.107 120.300 0.122 0.000 2.442 207 Y HA 0.329 4.879 4.550 -0.000 0.000 0.330 207 Y C -0.025 175.931 175.900 0.093 0.000 1.100 207 Y CA -0.544 57.605 58.100 0.083 0.000 1.034 207 Y CB 1.749 40.308 38.460 0.164 0.000 1.285 207 Y HN 0.725 nan 8.280 nan 0.000 0.440 208 Q N 2.591 122.436 119.800 0.074 0.000 2.222 208 Q HA 0.606 4.946 4.340 -0.000 0.000 0.252 208 Q C -1.555 174.372 176.000 -0.122 0.000 0.926 208 Q CA -0.723 55.117 55.803 0.062 0.000 0.899 208 Q CB 1.866 30.605 28.738 0.001 0.000 1.250 208 Q HN 0.533 nan 8.270 nan 0.000 0.441 209 F N 0.656 120.579 119.950 -0.046 0.000 2.507 209 F HA 0.249 4.776 4.527 -0.000 0.000 0.328 209 F C -0.186 175.494 175.800 -0.200 0.000 1.136 209 F CA -1.148 56.786 58.000 -0.110 0.000 0.930 209 F CB 1.516 40.399 39.000 -0.196 0.000 1.166 209 F HN 0.222 nan 8.300 nan 0.000 0.436 210 V N 1.794 121.666 119.914 -0.069 0.000 2.470 210 V HA 0.301 4.421 4.120 -0.000 0.000 0.276 210 V C -0.021 175.846 176.094 -0.378 0.000 1.040 210 V CA -0.843 61.355 62.300 -0.170 0.000 1.008 210 V CB 0.498 32.242 31.823 -0.132 0.000 0.990 210 V HN 0.472 nan 8.190 nan 0.000 0.477 211 V N 8.675 128.332 119.914 -0.428 0.000 2.381 211 V HA 0.185 4.305 4.120 -0.000 0.000 0.257 211 V C -1.291 174.433 176.094 -0.616 0.000 1.057 211 V CA -1.101 60.784 62.300 -0.692 0.000 1.013 211 V CB 0.134 31.697 31.823 -0.433 0.000 1.069 211 V HN 0.911 nan 8.190 nan 0.000 0.484 212 P HA -0.050 nan 4.420 nan 0.000 0.264 212 P C 0.914 177.906 177.300 -0.513 0.000 1.179 212 P CA 0.358 63.135 63.100 -0.539 0.000 0.763 212 P CB 0.924 32.320 31.700 -0.506 0.000 0.806 213 A N 4.861 127.543 122.820 -0.230 0.000 1.997 213 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 213 A C 2.029 179.584 177.584 -0.049 0.000 1.172 213 A CA 1.841 53.811 52.037 -0.112 0.000 0.645 213 A CB -1.532 17.459 19.000 -0.015 0.000 0.813 213 A HN 0.853 nan 8.150 nan 0.000 0.454 214 W N -1.599 119.693 121.300 -0.012 0.000 2.418 214 W HA 0.206 4.866 4.660 -0.000 0.000 0.292 214 W C 1.739 178.313 176.519 0.093 0.000 1.213 214 W CA 0.952 58.314 57.345 0.029 0.000 1.283 214 W CB -0.922 28.527 29.460 -0.019 0.000 1.119 214 W HN 0.378 nan 8.180 nan 0.000 0.542 215 A N 1.398 123.826 122.820 -0.653 0.000 2.218 215 A HA 0.016 4.336 4.320 -0.000 0.000 0.209 215 A C 1.919 179.381 177.584 -0.203 0.000 1.168 215 A CA 0.976 52.718 52.037 -0.492 0.000 0.804 215 A CB -0.925 17.473 19.000 -1.003 0.000 0.834 215 A HN 0.289 nan 8.150 nan 0.000 0.482 216 S N -0.117 115.463 115.700 -0.201 0.000 2.727 216 S HA 0.079 4.549 4.470 -0.000 0.000 0.226 216 S C 0.957 175.543 174.600 -0.024 0.000 0.963 216 S CA 0.809 58.943 58.200 -0.111 0.000 0.950 216 S CB -0.717 62.410 63.200 -0.121 0.000 0.779 216 S HN 0.979 nan 8.310 nan 0.000 0.532 217 V N -3.031 116.896 119.914 0.021 0.000 3.432 217 V HA 0.482 4.602 4.120 -0.000 0.000 0.298 217 V C 0.337 176.472 176.094 0.069 0.000 1.464 217 V CA -0.557 61.772 62.300 0.048 0.000 1.046 217 V CB -0.591 31.277 31.823 0.075 0.000 0.887 217 V HN 0.370 nan 8.190 nan 0.000 0.441 218 L N 1.376 122.658 121.223 0.099 0.000 2.466 218 L HA 0.643 4.983 4.340 -0.000 0.000 0.257 218 L C 0.400 177.315 176.870 0.075 0.000 1.189 218 L CA 0.409 55.338 54.840 0.148 0.000 0.813 218 L CB 1.365 43.594 42.059 0.283 0.000 1.118 218 L HN 0.350 nan 8.230 nan 0.000 0.471 219 S N 0.431 116.141 115.700 0.016 0.000 2.543 219 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 219 S C -1.106 173.287 174.600 -0.346 0.000 1.148 219 S CA -0.677 57.448 58.200 -0.125 0.000 0.914 219 S CB 1.604 64.757 63.200 -0.079 0.000 1.096 219 S HN 0.418 nan 8.310 nan 0.000 0.471 220 V N 1.624 121.198 119.914 -0.567 0.000 2.864 220 V HA 1.011 5.131 4.120 -0.000 0.000 0.314 220 V C -0.408 175.356 176.094 -0.550 0.000 1.073 220 V CA -0.582 61.248 62.300 -0.782 0.000 0.956 220 V CB 1.321 32.439 31.823 -1.175 0.000 1.023 220 V HN 1.018 nan 8.190 nan 0.000 0.435 221 T N -1.276 113.024 114.554 -0.423 0.000 2.900 221 T HA 0.700 5.050 4.350 -0.000 0.000 0.303 221 T C 0.628 175.177 174.700 -0.251 0.000 1.142 221 T CA -0.102 61.833 62.100 -0.275 0.000 1.007 221 T CB 1.177 69.942 68.868 -0.172 0.000 1.156 221 T HN 2.401 nan 8.240 nan 0.000 0.490 222 G N 0.475 109.146 108.800 -0.215 0.000 2.395 222 G HA2 0.156 4.116 3.960 -0.000 0.000 0.300 222 G HA3 0.156 4.116 3.960 -0.000 0.000 0.300 222 G C 0.236 174.949 174.900 -0.311 0.000 0.998 222 G CA 0.038 44.993 45.100 -0.241 0.000 1.046 222 G HN 1.423 nan 8.290 nan 0.000 0.513 223 A N -0.222 122.419 122.820 -0.298 0.000 2.312 223 A HA 0.811 5.131 4.320 -0.000 0.000 0.326 223 A C -0.450 177.052 177.584 -0.138 0.000 1.172 223 A CA -0.723 51.183 52.037 -0.219 0.000 0.821 223 A CB 1.045 19.893 19.000 -0.253 0.000 1.166 223 A HN 0.526 nan 8.150 nan 0.000 0.493 224 Y N 1.039 121.418 120.300 0.131 0.000 2.341 224 Y HA 0.479 5.029 4.550 -0.000 0.000 0.337 224 Y C -0.069 175.992 175.900 0.268 0.000 1.014 224 Y CA -0.680 57.540 58.100 0.200 0.000 1.111 224 Y CB 2.141 40.724 38.460 0.205 0.000 1.194 224 Y HN 0.372 nan 8.280 nan 0.000 0.462 225 V N 5.514 125.669 119.914 0.402 0.000 2.378 225 V HA 0.409 4.529 4.120 -0.000 0.000 0.288 225 V C -0.939 175.221 176.094 0.110 0.000 1.016 225 V CA -0.874 61.531 62.300 0.174 0.000 0.840 225 V CB 0.327 32.283 31.823 0.221 0.000 0.994 225 V HN 0.715 nan 8.190 nan 0.000 0.431 226 Y N 2.153 122.363 120.300 -0.150 0.000 2.689 226 Y HA 0.769 5.319 4.550 -0.000 0.000 0.333 226 Y C -1.241 174.457 175.900 -0.337 0.000 1.190 226 Y CA -2.018 55.941 58.100 -0.235 0.000 1.063 226 Y CB 1.185 39.601 38.460 -0.073 0.000 1.294 226 Y HN 0.339 nan 8.280 nan 0.000 0.466 227 F N 1.316 121.338 119.950 0.119 0.000 2.424 227 F HA 0.550 5.077 4.527 -0.000 0.000 0.356 227 F C 0.677 176.558 175.800 0.135 0.000 1.110 227 F CA 0.042 58.065 58.000 0.038 0.000 1.161 227 F CB 1.584 40.616 39.000 0.053 0.000 1.115 227 F HN 0.691 nan 8.300 nan 0.000 0.507 228 T N 2.290 116.973 114.554 0.215 0.000 2.864 228 T HA 0.353 4.703 4.350 -0.000 0.000 0.289 228 T C -0.408 174.382 174.700 0.149 0.000 1.082 228 T CA -0.818 61.406 62.100 0.206 0.000 1.009 228 T CB 1.163 70.136 68.868 0.175 0.000 1.234 228 T HN 0.743 nan 8.240 nan 0.000 0.526 229 N N 1.130 119.907 118.700 0.128 0.000 2.588 229 N HA 0.211 4.951 4.740 -0.000 0.000 0.298 229 N C -0.915 174.646 175.510 0.086 0.000 1.718 229 N CA -0.583 52.524 53.050 0.095 0.000 0.888 229 N CB 0.628 39.161 38.487 0.078 0.000 1.389 229 N HN 0.524 nan 8.380 nan 0.000 0.491 230 S N -0.308 115.455 115.700 0.106 0.000 2.536 230 S HA 0.663 5.133 4.470 -0.000 0.000 0.271 230 S C -1.674 173.038 174.600 0.187 0.000 1.134 230 S CA -0.720 57.550 58.200 0.116 0.000 0.897 230 S CB 1.793 65.044 63.200 0.085 0.000 1.094 230 S HN 0.201 nan 8.310 nan 0.000 0.473 231 F N 3.804 123.761 119.950 0.011 0.000 2.553 231 F HA 0.635 5.162 4.527 -0.000 0.000 0.335 231 F C -0.408 175.481 175.800 0.150 0.000 1.148 231 F CA -1.650 56.368 58.000 0.031 0.000 0.963 231 F CB 0.417 39.435 39.000 0.030 0.000 1.217 231 F HN 0.834 nan 8.300 nan 0.000 0.441 232 F N 4.232 123.930 119.950 -0.421 0.000 3.093 232 F HA -0.154 4.373 4.527 -0.000 0.000 0.287 232 F C 1.402 177.086 175.800 -0.193 0.000 0.882 232 F CA 1.286 59.044 58.000 -0.403 0.000 1.063 232 F CB -1.039 37.585 39.000 -0.626 0.000 1.097 232 F HN 1.053 nan 8.300 nan 0.000 0.604 233 G N -0.235 108.567 108.800 0.003 0.000 2.136 233 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 233 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 233 G C 0.053 174.978 174.900 0.042 0.000 0.989 233 G CA 0.257 45.372 45.100 0.024 0.000 0.682 233 G HN 0.587 nan 8.290 nan 0.000 0.522 234 T N 1.168 115.763 114.554 0.068 0.000 2.770 234 T HA 0.565 4.915 4.350 -0.000 0.000 0.283 234 T C 0.477 175.227 174.700 0.085 0.000 0.988 234 T CA -0.526 61.617 62.100 0.071 0.000 0.957 234 T CB 1.518 70.437 68.868 0.085 0.000 0.930 234 T HN 0.248 nan 8.240 nan 0.000 0.443 235 I N 3.741 124.343 120.570 0.054 0.000 2.826 235 I HA 0.005 4.175 4.170 -0.000 0.000 0.295 235 I C 0.438 176.576 176.117 0.035 0.000 1.213 235 I CA 0.252 61.579 61.300 0.045 0.000 1.436 235 I CB -0.062 37.955 38.000 0.028 0.000 1.348 235 I HN 0.534 nan 8.210 nan 0.000 0.570 236 I N 6.245 126.833 120.570 0.029 0.000 2.385 236 I HA 0.502 4.672 4.170 -0.000 0.000 0.294 236 I C 0.418 176.526 176.117 -0.015 0.000 0.988 236 I CA -0.410 60.880 61.300 -0.017 0.000 1.265 236 I CB 1.175 39.152 38.000 -0.038 0.000 1.388 236 I HN 0.668 nan 8.210 nan 0.000 0.480 237 A N 3.846 126.644 122.820 -0.035 0.000 2.299 237 A HA 0.743 5.063 4.320 -0.000 0.000 0.332 237 A C 0.707 178.275 177.584 -0.027 0.000 1.131 237 A CA 0.009 52.034 52.037 -0.021 0.000 0.844 237 A CB 1.074 20.063 19.000 -0.019 0.000 1.251 237 A HN 1.123 nan 8.150 nan 0.000 0.486 238 G N -1.099 107.695 108.800 -0.011 0.000 2.160 238 G HA2 0.053 4.013 3.960 -0.000 0.000 0.244 238 G HA3 0.053 4.013 3.960 -0.000 0.000 0.244 238 G C -0.188 174.712 174.900 0.000 0.000 1.022 238 G CA 0.277 45.373 45.100 -0.008 0.000 0.741 238 G HN 1.645 nan 8.290 nan 0.000 0.508 239 V N -0.175 119.746 119.914 0.012 0.000 2.969 239 V HA 0.794 4.914 4.120 -0.000 0.000 0.304 239 V C 0.083 176.198 176.094 0.035 0.000 1.192 239 V CA -0.227 62.092 62.300 0.033 0.000 0.962 239 V CB 2.359 34.217 31.823 0.058 0.000 1.045 239 V HN 0.979 nan 8.190 nan 0.000 0.428 240 T N 0.405 114.977 114.554 0.031 0.000 2.792 240 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 240 T C 0.383 175.085 174.700 0.004 0.000 0.990 240 T CA 0.057 62.164 62.100 0.011 0.000 0.960 240 T CB 1.906 70.767 68.868 -0.011 0.000 0.939 240 T HN 1.021 nan 8.240 nan 0.000 0.439 241 A N 2.692 125.533 122.820 0.035 0.000 2.345 241 A HA 0.389 4.709 4.320 -0.000 0.000 0.225 241 A C 1.285 178.893 177.584 0.040 0.000 1.243 241 A CA -0.234 51.849 52.037 0.077 0.000 0.875 241 A CB -0.646 18.432 19.000 0.130 0.000 0.929 241 A HN 0.978 nan 8.150 nan 0.000 0.502 242 T N -2.037 112.513 114.554 -0.006 0.000 2.828 242 T HA 0.677 5.027 4.350 -0.000 0.000 0.290 242 T C 0.012 174.688 174.700 -0.040 0.000 1.019 242 T CA 0.082 62.177 62.100 -0.009 0.000 1.031 242 T CB 1.499 70.361 68.868 -0.010 0.000 1.001 242 T HN 1.356 nan 8.240 nan 0.000 0.531 243 A N 0.679 123.492 122.820 -0.012 0.000 2.522 243 A HA 0.665 4.985 4.320 -0.000 0.000 0.291 243 A C -0.452 177.137 177.584 0.008 0.000 1.039 243 A CA -1.059 50.971 52.037 -0.012 0.000 0.643 243 A CB 0.857 19.863 19.000 0.010 0.000 1.310 243 A HN 0.938 nan 8.150 nan 0.000 0.436 244 T N 0.293 114.853 114.554 0.010 0.000 2.916 244 T HA 0.619 4.969 4.350 -0.000 0.000 0.292 244 T C 1.357 176.070 174.700 0.021 0.000 1.064 244 T CA 0.206 62.314 62.100 0.013 0.000 1.011 244 T CB 1.735 70.607 68.868 0.008 0.000 1.152 244 T HN 1.669 nan 8.240 nan 0.000 0.510 245 A N 0.829 123.660 122.820 0.019 0.000 2.019 245 A HA 0.174 4.494 4.320 -0.000 0.000 0.219 245 A C 2.299 179.896 177.584 0.021 0.000 1.164 245 A CA 1.710 53.759 52.037 0.021 0.000 0.644 245 A CB -0.925 18.085 19.000 0.016 0.000 0.805 245 A HN 0.900 nan 8.150 nan 0.000 0.449 246 A N -0.088 122.742 122.820 0.017 0.000 2.014 246 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 246 A C 0.563 178.158 177.584 0.018 0.000 1.163 246 A CA 0.580 52.626 52.037 0.015 0.000 0.652 246 A CB -0.495 18.512 19.000 0.011 0.000 0.808 246 A HN 0.447 nan 8.150 nan 0.000 0.449 247 D N 0.456 120.867 120.400 0.019 0.000 2.563 247 D HA 0.319 4.959 4.640 -0.000 0.000 0.229 247 D C 0.572 176.889 176.300 0.028 0.000 1.159 247 D CA 1.153 55.165 54.000 0.020 0.000 0.869 247 D CB 0.439 41.252 40.800 0.021 0.000 1.203 247 D HN 0.480 nan 8.370 nan 0.000 0.478 248 A N 1.481 124.317 122.820 0.027 0.000 2.366 248 A HA 0.547 4.867 4.320 -0.000 0.000 0.249 248 A C 0.206 177.818 177.584 0.047 0.000 1.084 248 A CA -0.157 51.900 52.037 0.032 0.000 0.794 248 A CB 0.315 19.332 19.000 0.029 0.000 1.034 248 A HN 0.627 nan 8.150 nan 0.000 0.491 249 A N 1.115 123.963 122.820 0.047 0.000 2.450 249 A HA 0.524 4.844 4.320 -0.000 0.000 0.255 249 A C 0.418 178.046 177.584 0.073 0.000 1.096 249 A CA 0.125 52.198 52.037 0.060 0.000 0.778 249 A CB -0.321 18.705 19.000 0.043 0.000 1.031 249 A HN 0.788 nan 8.150 nan 0.000 0.494 250 T N 2.673 117.291 114.554 0.107 0.000 2.770 250 T HA 0.557 4.907 4.350 -0.000 0.000 0.297 250 T C 0.278 175.042 174.700 0.107 0.000 0.997 250 T CA 0.060 62.237 62.100 0.129 0.000 0.949 250 T CB 0.630 69.642 68.868 0.241 0.000 0.941 250 T HN 0.945 nan 8.240 nan 0.000 0.457 251 T N 0.877 115.485 114.554 0.090 0.000 2.916 251 T HA 0.844 5.194 4.350 -0.000 0.000 0.292 251 T C -0.702 174.071 174.700 0.121 0.000 1.055 251 T CA -1.020 61.116 62.100 0.059 0.000 1.009 251 T CB 1.380 70.230 68.868 -0.030 0.000 1.118 251 T HN 0.446 nan 8.240 nan 0.000 0.497 252 F N -0.448 119.469 119.950 -0.056 0.000 2.611 252 F HA 0.892 5.419 4.527 -0.000 0.000 0.324 252 F C -0.383 175.354 175.800 -0.106 0.000 1.061 252 F CA -0.875 57.086 58.000 -0.065 0.000 0.954 252 F CB 1.697 40.648 39.000 -0.082 0.000 1.301 252 F HN 0.915 nan 8.300 nan 0.000 0.482 253 T N -0.381 114.177 114.554 0.007 0.000 2.906 253 T HA 0.805 5.155 4.350 -0.000 0.000 0.295 253 T C -1.556 173.138 174.700 -0.010 0.000 1.075 253 T CA -0.762 61.262 62.100 -0.126 0.000 1.005 253 T CB 1.579 70.403 68.868 -0.073 0.000 1.136 253 T HN 0.751 nan 8.240 nan 0.000 0.498 254 V N 2.997 122.872 119.914 -0.066 0.000 2.769 254 V HA 0.504 4.624 4.120 -0.000 0.000 0.312 254 V C -1.579 174.507 176.094 -0.014 0.000 1.061 254 V CA -2.191 60.103 62.300 -0.010 0.000 0.931 254 V CB 2.378 34.207 31.823 0.010 0.000 1.010 254 V HN 0.866 nan 8.190 nan 0.000 0.433 255 P HA -0.028 nan 4.420 nan 0.000 0.239 255 P C 0.777 178.074 177.300 -0.004 0.000 1.184 255 P CA 0.829 63.925 63.100 -0.007 0.000 0.760 255 P CB 0.210 31.904 31.700 -0.009 0.000 0.884 256 T N -2.504 112.053 114.554 0.005 0.000 3.015 256 T HA 0.079 4.429 4.350 -0.000 0.000 0.250 256 T C 0.476 175.178 174.700 0.003 0.000 1.057 256 T CA 0.269 62.374 62.100 0.009 0.000 1.066 256 T CB 0.221 69.106 68.868 0.028 0.000 0.959 256 T HN 0.054 nan 8.240 nan 0.000 0.488 257 D N 0.704 121.100 120.400 -0.007 0.000 2.481 257 D HA 0.549 5.189 4.640 -0.000 0.000 0.246 257 D C 0.657 176.932 176.300 -0.042 0.000 1.109 257 D CA -0.406 53.581 54.000 -0.023 0.000 0.845 257 D CB 1.886 42.670 40.800 -0.026 0.000 1.160 257 D HN 0.073 nan 8.370 nan 0.000 0.534 258 A N 4.090 126.889 122.820 -0.034 0.000 2.178 258 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 258 A C 0.797 178.351 177.584 -0.050 0.000 1.157 258 A CA 0.712 52.727 52.037 -0.036 0.000 0.689 258 A CB -0.129 18.856 19.000 -0.026 0.000 0.787 258 A HN 0.546 nan 8.150 nan 0.000 0.465 259 N N 1.024 119.685 118.700 -0.065 0.000 2.417 259 N HA 0.169 4.909 4.740 -0.000 0.000 0.300 259 N C -1.141 174.287 175.510 -0.137 0.000 1.102 259 N CA -0.574 52.427 53.050 -0.081 0.000 0.886 259 N CB 0.686 39.133 38.487 -0.066 0.000 1.203 259 N HN 0.275 nan 8.380 nan 0.000 0.496 260 N N 1.155 119.771 118.700 -0.141 0.000 2.479 260 N HA 0.115 4.855 4.740 -0.000 0.000 0.257 260 N C -0.495 174.836 175.510 -0.297 0.000 1.232 260 N CA 0.163 53.085 53.050 -0.213 0.000 0.920 260 N CB 1.085 39.490 38.487 -0.137 0.000 1.105 260 N HN 0.295 nan 8.380 nan 0.000 0.444 261 L N 3.591 124.477 121.223 -0.562 0.000 2.294 261 L HA 0.348 4.688 4.340 -0.000 0.000 0.283 261 L C -1.900 174.690 176.870 -0.466 0.000 1.015 261 L CA -1.686 52.776 54.840 -0.629 0.000 0.831 261 L CB 1.534 42.888 42.059 -1.175 0.000 1.217 261 L HN 0.318 nan 8.230 nan 0.000 0.420 262 P HA 0.072 nan 4.420 nan 0.000 0.269 262 P C -0.844 176.500 177.300 0.074 0.000 1.217 262 P CA -0.112 62.972 63.100 -0.027 0.000 0.783 262 P CB 1.439 33.142 31.700 0.005 0.000 0.898 263 V N 2.081 122.043 119.914 0.080 0.000 2.789 263 V HA 0.257 4.377 4.120 -0.000 0.000 0.311 263 V C 0.426 176.540 176.094 0.033 0.000 1.073 263 V CA -0.376 61.948 62.300 0.039 0.000 0.921 263 V CB 1.141 32.906 31.823 -0.096 0.000 1.009 263 V HN 0.667 nan 8.190 nan 0.000 0.426 264 Q N 1.332 121.158 119.800 0.044 0.000 2.504 264 Q HA -0.150 4.190 4.340 -0.000 0.000 0.274 264 Q C 0.046 176.102 176.000 0.092 0.000 1.103 264 Q CA 1.114 56.977 55.803 0.099 0.000 0.962 264 Q CB -1.453 27.379 28.738 0.155 0.000 1.322 264 Q HN 1.166 nan 8.270 nan 0.000 0.500 265 T N -3.631 110.987 114.554 0.106 0.000 2.912 265 T HA 0.481 4.831 4.350 -0.000 0.000 0.288 265 T C 0.319 175.098 174.700 0.132 0.000 1.030 265 T CA -0.606 61.553 62.100 0.097 0.000 1.020 265 T CB 1.470 70.394 68.868 0.094 0.000 1.056 265 T HN 0.002 nan 8.240 nan 0.000 0.480 266 D N 1.154 121.617 120.400 0.104 0.000 2.336 266 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 266 D C 0.128 176.597 176.300 0.282 0.000 1.061 266 D CA 0.264 54.352 54.000 0.148 0.000 0.875 266 D CB 0.200 41.038 40.800 0.063 0.000 0.904 266 D HN 0.409 nan 8.370 nan 0.000 0.525 267 S N 0.538 116.363 115.700 0.209 0.000 2.545 267 S HA 0.254 4.724 4.470 -0.000 0.000 0.275 267 S C 0.561 175.227 174.600 0.110 0.000 1.299 267 S CA -0.512 57.773 58.200 0.141 0.000 1.048 267 S CB 1.504 64.755 63.200 0.085 0.000 0.938 267 S HN 0.079 nan 8.310 nan 0.000 0.496 268 R N 2.480 122.970 120.500 -0.016 0.000 2.216 268 R HA 0.351 4.691 4.340 -0.000 0.000 0.332 268 R C -0.540 175.711 176.300 -0.082 0.000 1.056 268 R CA -0.190 55.804 56.100 -0.176 0.000 0.901 268 R CB 0.208 30.364 30.300 -0.241 0.000 1.039 268 R HN 0.499 nan 8.270 nan 0.000 0.456 269 L N 1.159 122.353 121.223 -0.048 0.000 2.375 269 L HA 0.469 4.809 4.340 -0.000 0.000 0.268 269 L C 0.168 176.994 176.870 -0.074 0.000 1.058 269 L CA -0.653 54.207 54.840 0.034 0.000 0.803 269 L CB 1.711 43.917 42.059 0.246 0.000 1.212 269 L HN 0.506 nan 8.230 nan 0.000 0.451 270 S N 1.761 117.449 115.700 -0.020 0.000 2.775 270 S HA 0.692 5.162 4.470 -0.000 0.000 0.277 270 S C -0.980 173.622 174.600 0.003 0.000 1.156 270 S CA -0.590 57.529 58.200 -0.135 0.000 1.081 270 S CB 0.926 64.073 63.200 -0.089 0.000 1.054 270 S HN 0.472 nan 8.310 nan 0.000 0.482 271 F N -0.511 119.413 119.950 -0.043 0.000 2.711 271 F HA 0.879 5.406 4.527 -0.000 0.000 0.313 271 F C -0.536 175.253 175.800 -0.018 0.000 1.141 271 F CA -1.105 56.885 58.000 -0.016 0.000 0.941 271 F CB 1.115 40.135 39.000 0.033 0.000 1.349 271 F HN 0.336 nan 8.300 nan 0.000 0.464 272 S N 1.006 116.877 115.700 0.284 0.000 2.502 272 S HA 0.561 5.030 4.470 -0.000 0.000 0.304 272 S C -0.274 174.460 174.600 0.222 0.000 1.097 272 S CA -0.779 57.517 58.200 0.160 0.000 1.045 272 S CB 0.983 64.220 63.200 0.062 0.000 1.019 272 S HN 0.799 nan 8.310 nan 0.000 0.481 273 L N 4.268 125.604 121.223 0.187 0.000 2.718 273 L HA 0.312 4.652 4.340 -0.000 0.000 0.242 273 L C 1.132 178.026 176.870 0.039 0.000 1.203 273 L CA -0.264 54.658 54.840 0.137 0.000 1.011 273 L CB -0.597 41.551 42.059 0.148 0.000 1.250 273 L HN 0.751 nan 8.230 nan 0.000 0.437 274 G N -0.925 107.898 108.800 0.038 0.000 2.588 274 G HA2 0.517 4.477 3.960 -0.000 0.000 0.312 274 G HA3 0.517 4.477 3.960 -0.000 0.000 0.312 274 G C 0.462 175.361 174.900 -0.002 0.000 1.257 274 G CA 0.392 45.494 45.100 0.004 0.000 0.994 274 G HN 0.263 nan 8.290 nan 0.000 0.498 275 G N 0.593 109.382 108.800 -0.018 0.000 3.685 275 G HA2 0.448 4.408 3.960 -0.000 0.000 0.215 275 G HA3 0.448 4.408 3.960 -0.000 0.000 0.215 275 G C 0.517 175.400 174.900 -0.029 0.000 0.987 275 G CA 1.035 46.124 45.100 -0.018 0.000 0.884 275 G HN 1.795 nan 8.290 nan 0.000 0.406 276 G N 0.195 108.970 108.800 -0.041 0.000 2.649 276 G HA2 0.381 4.341 3.960 -0.000 0.000 0.078 276 G HA3 0.381 4.341 3.960 -0.000 0.000 0.078 276 G C -1.580 173.275 174.900 -0.075 0.000 1.110 276 G CA 0.188 45.256 45.100 -0.053 0.000 1.269 276 G HN 0.465 nan 8.290 nan 0.000 0.581 277 N N 0.499 119.163 118.700 -0.059 0.000 2.362 277 N HA 0.578 5.318 4.740 -0.000 0.000 0.299 277 N C -0.476 175.012 175.510 -0.037 0.000 1.170 277 N CA -0.410 52.599 53.050 -0.068 0.000 0.825 277 N CB 2.485 40.943 38.487 -0.048 0.000 1.299 277 N HN 0.767 nan 8.380 nan 0.000 0.502 278 I N -1.479 119.061 120.570 -0.050 0.000 2.385 278 I HA 0.431 4.601 4.170 -0.000 0.000 0.294 278 I C -0.536 175.627 176.117 0.077 0.000 0.988 278 I CA -0.601 60.686 61.300 -0.021 0.000 1.265 278 I CB 0.915 38.802 38.000 -0.189 0.000 1.388 278 I HN 0.215 nan 8.210 nan 0.000 0.480 279 N N 5.612 124.386 118.700 0.124 0.000 2.949 279 N HA 0.340 5.080 4.740 -0.000 0.000 0.243 279 N C -0.671 174.979 175.510 0.232 0.000 1.113 279 N CA -0.548 52.603 53.050 0.168 0.000 0.980 279 N CB 0.600 39.148 38.487 0.100 0.000 1.256 279 N HN 0.629 nan 8.380 nan 0.000 0.508 280 L N 1.112 122.519 121.223 0.307 0.000 2.461 280 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 280 L C 0.038 177.078 176.870 0.285 0.000 1.197 280 L CA 0.649 55.671 54.840 0.303 0.000 0.836 280 L CB 0.573 42.811 42.059 0.299 0.000 1.105 280 L HN 0.422 nan 8.230 nan 0.000 0.477 281 E N 4.626 124.951 120.200 0.208 0.000 2.873 281 E HA 0.158 4.508 4.350 -0.000 0.000 0.232 281 E C -1.167 175.513 176.600 0.133 0.000 1.123 281 E CA -0.785 55.721 56.400 0.177 0.000 0.809 281 E CB 1.079 30.850 29.700 0.119 0.000 1.366 281 E HN 0.466 nan 8.360 nan 0.000 0.400 282 L N 1.716 123.010 121.223 0.118 0.000 2.660 282 L HA -0.003 4.337 4.340 -0.000 0.000 0.272 282 L C 1.512 178.420 176.870 0.063 0.000 1.194 282 L CA 0.959 55.806 54.840 0.012 0.000 0.945 282 L CB 0.630 42.630 42.059 -0.099 0.000 1.212 282 L HN 0.578 nan 8.230 nan 0.000 0.490 283 G N 4.033 112.864 108.800 0.052 0.000 2.430 283 G HA2 0.076 4.036 3.960 -0.000 0.000 0.216 283 G HA3 0.076 4.036 3.960 -0.000 0.000 0.216 283 G C 0.331 175.249 174.900 0.031 0.000 1.146 283 G CA 0.377 45.506 45.100 0.049 0.000 0.793 283 G HN 0.411 nan 8.290 nan 0.000 0.537 284 V N -0.092 119.823 119.914 0.002 0.000 2.914 284 V HA 0.712 4.832 4.120 -0.000 0.000 0.314 284 V C 0.041 176.123 176.094 -0.019 0.000 1.084 284 V CA -1.156 61.139 62.300 -0.007 0.000 0.963 284 V CB 1.789 33.598 31.823 -0.024 0.000 1.025 284 V HN 0.327 nan 8.190 nan 0.000 0.432 285 A N 3.353 126.178 122.820 0.008 0.000 2.451 285 A HA 0.501 4.821 4.320 -0.000 0.000 0.266 285 A C 0.025 177.606 177.584 -0.005 0.000 1.119 285 A CA 0.121 52.174 52.037 0.026 0.000 0.786 285 A CB -0.185 18.841 19.000 0.044 0.000 1.061 285 A HN 0.771 nan 8.150 nan 0.000 0.503 286 K N 1.831 122.233 120.400 0.004 0.000 2.324 286 K HA 0.364 4.684 4.320 -0.000 0.000 0.253 286 K C -0.426 176.202 176.600 0.047 0.000 0.932 286 K CA -0.527 55.754 56.287 -0.010 0.000 0.799 286 K CB 1.853 34.304 32.500 -0.082 0.000 1.154 286 K HN 0.582 nan 8.250 nan 0.000 0.425 287 T N 1.613 116.181 114.554 0.024 0.000 4.492 287 T HA 0.204 4.554 4.350 -0.000 0.000 0.222 287 T C 0.455 175.174 174.700 0.032 0.000 0.836 287 T CA -0.101 62.016 62.100 0.029 0.000 0.900 287 T CB -0.797 68.081 68.868 0.015 0.000 1.399 287 T HN 0.906 nan 8.240 nan 0.000 0.877 288 G N 2.054 110.885 108.800 0.053 0.000 3.209 288 G HA2 0.144 4.104 3.960 -0.000 0.000 0.686 288 G HA3 0.144 4.104 3.960 -0.000 0.000 0.686 288 G C -0.804 174.136 174.900 0.068 0.000 1.065 288 G CA -0.959 44.147 45.100 0.009 0.000 0.812 288 G HN 0.665 nan 8.290 nan 0.000 0.573 289 F N -0.064 119.897 119.950 0.018 0.000 2.599 289 F HA 0.852 5.379 4.527 -0.000 0.000 0.311 289 F C -0.251 175.606 175.800 0.095 0.000 1.076 289 F CA -1.919 56.092 58.000 0.019 0.000 0.937 289 F CB 1.580 40.550 39.000 -0.050 0.000 1.282 289 F HN 0.904 nan 8.300 nan 0.000 0.460 290 C N 4.032 123.555 119.300 0.370 0.000 2.432 290 C HA 0.814 5.274 4.460 -0.000 0.000 0.334 290 C C -0.811 174.188 174.990 0.015 0.000 1.155 290 C CA -0.423 58.689 59.018 0.155 0.000 1.335 290 C CB 0.241 28.095 27.740 0.189 0.000 1.964 290 C HN 0.835 nan 8.230 nan 0.000 0.444 291 V N 5.283 124.925 119.914 -0.453 0.000 2.644 291 V HA 0.765 4.885 4.120 -0.000 0.000 0.295 291 V C 0.682 176.231 176.094 -0.909 0.000 1.053 291 V CA -0.018 61.755 62.300 -0.877 0.000 0.987 291 V CB 1.505 32.442 31.823 -1.476 0.000 1.006 291 V HN 1.089 nan 8.190 nan 0.000 0.472 292 A N 5.253 127.597 122.820 -0.794 0.000 2.356 292 A HA 0.832 5.152 4.320 -0.000 0.000 0.310 292 A C -0.804 176.490 177.584 -0.483 0.000 1.075 292 A CA -0.497 51.135 52.037 -0.675 0.000 0.746 292 A CB 0.915 19.366 19.000 -0.914 0.000 1.221 292 A HN 0.754 nan 8.150 nan 0.000 0.443 293 I N 2.368 122.837 120.570 -0.168 0.000 2.412 293 I HA 0.241 4.411 4.170 -0.000 0.000 0.279 293 I C 0.055 176.312 176.117 0.232 0.000 1.063 293 I CA 0.074 61.432 61.300 0.097 0.000 1.193 293 I CB 1.046 39.218 38.000 0.288 0.000 1.370 293 I HN 0.759 nan 8.210 nan 0.000 0.479 294 E N 5.341 125.668 120.200 0.212 0.000 2.109 294 E HA 0.653 5.003 4.350 -0.000 0.000 0.278 294 E C -0.183 176.559 176.600 0.236 0.000 0.954 294 E CA -0.306 56.275 56.400 0.301 0.000 0.779 294 E CB 1.362 31.270 29.700 0.348 0.000 1.093 294 E HN 0.766 nan 8.360 nan 0.000 0.401 295 G N 3.361 112.306 108.800 0.243 0.000 2.588 295 G HA2 0.099 4.059 3.960 -0.000 0.000 0.281 295 G HA3 0.099 4.059 3.960 -0.000 0.000 0.281 295 G C -1.328 173.621 174.900 0.082 0.000 1.223 295 G CA -0.720 44.392 45.100 0.020 0.000 0.871 295 G HN 0.426 nan 8.290 nan 0.000 0.492 296 E N -0.193 119.958 120.200 -0.081 0.000 2.167 296 E HA 0.614 4.964 4.350 -0.000 0.000 0.284 296 E C -1.318 175.233 176.600 -0.082 0.000 1.016 296 E CA -0.387 56.021 56.400 0.014 0.000 0.817 296 E CB 0.566 30.247 29.700 -0.031 0.000 1.080 296 E HN 0.174 nan 8.360 nan 0.000 0.397 297 F N 2.322 122.263 119.950 -0.016 0.000 2.420 297 F HA 0.426 4.953 4.527 -0.000 0.000 0.342 297 F C 0.768 176.570 175.800 0.003 0.000 1.113 297 F CA -0.435 57.559 58.000 -0.011 0.000 1.059 297 F CB 1.896 40.906 39.000 0.016 0.000 1.128 297 F HN 0.270 nan 8.300 nan 0.000 0.475 298 T N 3.482 118.106 114.554 0.116 0.000 2.906 298 T HA 0.677 5.027 4.350 -0.000 0.000 0.295 298 T C -0.747 174.005 174.700 0.088 0.000 1.075 298 T CA -0.706 61.449 62.100 0.091 0.000 1.005 298 T CB 0.985 69.880 68.868 0.046 0.000 1.136 298 T HN 0.397 nan 8.240 nan 0.000 0.498 299 I N 4.157 124.779 120.570 0.086 0.000 2.297 299 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 299 I C 0.637 176.779 176.117 0.042 0.000 1.033 299 I CA -0.797 60.548 61.300 0.075 0.000 1.253 299 I CB 0.888 38.942 38.000 0.090 0.000 1.396 299 I HN 0.608 nan 8.210 nan 0.000 0.476 300 L N 5.105 126.334 121.223 0.010 0.000 2.557 300 L HA -0.120 4.220 4.340 -0.000 0.000 0.308 300 L C 1.083 177.887 176.870 -0.110 0.000 1.283 300 L CA -0.021 54.788 54.840 -0.052 0.000 0.847 300 L CB 0.041 42.076 42.059 -0.040 0.000 1.088 300 L HN 0.683 nan 8.230 nan 0.000 0.537 301 A N 2.673 125.325 122.820 -0.280 0.000 2.477 301 A HA 0.149 4.469 4.320 -0.000 0.000 0.246 301 A C 0.867 178.322 177.584 -0.215 0.000 1.078 301 A CA -0.098 51.641 52.037 -0.497 0.000 0.770 301 A CB -0.069 18.299 19.000 -1.052 0.000 1.011 301 A HN 0.968 nan 8.150 nan 0.000 0.494 302 N N 0.477 119.124 118.700 -0.088 0.000 2.708 302 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 302 N C 0.172 175.692 175.510 0.016 0.000 1.123 302 N CA 1.204 54.255 53.050 0.001 0.000 0.739 302 N CB -0.522 37.957 38.487 -0.013 0.000 1.113 302 N HN 0.738 nan 8.380 nan 0.000 0.561 303 R N -0.439 120.078 120.500 0.029 0.000 2.535 303 R HA 0.190 4.530 4.340 -0.000 0.000 0.323 303 R C 1.349 177.711 176.300 0.102 0.000 0.979 303 R CA 0.532 56.662 56.100 0.051 0.000 1.120 303 R CB 0.069 30.387 30.300 0.031 0.000 1.306 303 R HN 0.367 nan 8.270 nan 0.000 0.540 304 S N -0.145 115.636 115.700 0.135 0.000 2.561 304 S HA -0.065 4.405 4.470 -0.000 0.000 0.225 304 S C 1.423 176.174 174.600 0.252 0.000 0.977 304 S CA 0.442 58.779 58.200 0.229 0.000 0.926 304 S CB 0.170 63.537 63.200 0.278 0.000 0.769 304 S HN 0.048 nan 8.310 nan 0.000 0.533 305 Q N 1.739 121.632 119.800 0.155 0.000 2.297 305 Q HA 0.313 4.653 4.340 -0.000 0.000 0.204 305 Q C 2.267 178.340 176.000 0.122 0.000 0.962 305 Q CA 1.219 57.094 55.803 0.121 0.000 0.879 305 Q CB -0.858 27.923 28.738 0.072 0.000 0.947 305 Q HN 0.700 nan 8.270 nan 0.000 0.462 306 A N -0.178 122.722 122.820 0.134 0.000 1.828 306 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 306 A C 1.954 179.636 177.584 0.162 0.000 1.203 306 A CA 1.553 53.669 52.037 0.132 0.000 0.614 306 A CB -1.194 17.887 19.000 0.134 0.000 0.844 306 A HN 0.446 nan 8.150 nan 0.000 0.445 307 Y N -0.696 119.630 120.300 0.044 0.000 2.097 307 Y HA -0.286 4.264 4.550 -0.000 0.000 0.282 307 Y C 2.168 178.077 175.900 0.015 0.000 1.152 307 Y CA 2.079 60.176 58.100 -0.005 0.000 1.136 307 Y CB -0.643 37.731 38.460 -0.143 0.000 0.975 307 Y HN 0.409 nan 8.280 nan 0.000 0.498 308 Y N -1.390 118.874 120.300 -0.060 0.000 2.519 308 Y HA -0.037 4.513 4.550 -0.000 0.000 0.287 308 Y C 1.952 177.674 175.900 -0.296 0.000 1.128 308 Y CA 1.174 59.006 58.100 -0.447 0.000 1.282 308 Y CB 0.001 38.199 38.460 -0.438 0.000 1.027 308 Y HN -0.016 nan 8.280 nan 0.000 0.551 309 T N 0.481 115.055 114.554 0.033 0.000 3.145 309 T HA 0.165 4.515 4.350 -0.000 0.000 0.255 309 T C 0.722 175.455 174.700 0.054 0.000 1.039 309 T CA -0.060 62.063 62.100 0.039 0.000 0.928 309 T CB -0.306 68.591 68.868 0.049 0.000 1.029 309 T HN 0.247 nan 8.240 nan 0.000 0.554 310 L N 1.045 122.308 121.223 0.066 0.000 4.001 310 L HA -0.263 4.077 4.340 -0.000 0.000 0.413 310 L C 1.304 178.202 176.870 0.046 0.000 1.185 310 L CA -0.003 54.874 54.840 0.063 0.000 0.963 310 L CB -1.621 40.479 42.059 0.068 0.000 1.976 310 L HN 0.247 nan 8.230 nan 0.000 0.939 311 N N -0.119 118.614 118.700 0.055 0.000 2.463 311 N HA -0.021 4.719 4.740 -0.000 0.000 0.181 311 N C 1.519 177.061 175.510 0.053 0.000 1.078 311 N CA 0.876 53.956 53.050 0.049 0.000 0.902 311 N CB 0.239 38.757 38.487 0.052 0.000 0.970 311 N HN 0.541 nan 8.380 nan 0.000 0.451 312 S N -0.754 114.989 115.700 0.070 0.000 2.671 312 S HA 0.213 4.683 4.470 -0.000 0.000 0.220 312 S C 0.445 175.078 174.600 0.054 0.000 0.951 312 S CA -0.290 57.961 58.200 0.084 0.000 0.932 312 S CB -0.388 62.900 63.200 0.147 0.000 0.777 312 S HN 0.139 nan 8.310 nan 0.000 0.508 313 I N 2.661 123.249 120.570 0.029 0.000 2.331 313 I HA 0.254 4.424 4.170 -0.000 0.000 0.292 313 I C 1.127 177.246 176.117 0.004 0.000 0.998 313 I CA -0.391 60.911 61.300 0.003 0.000 1.267 313 I CB 1.762 39.758 38.000 -0.005 0.000 1.386 313 I HN 0.300 nan 8.210 nan 0.000 0.476 314 T N 1.041 115.594 114.554 -0.002 0.000 2.980 314 T HA 0.219 4.569 4.350 -0.000 0.000 0.252 314 T C 0.723 175.422 174.700 -0.003 0.000 0.962 314 T CA -0.298 61.803 62.100 0.001 0.000 0.932 314 T CB 0.458 69.330 68.868 0.007 0.000 1.188 314 T HN 0.375 nan 8.240 nan 0.000 0.500 315 Q N 1.334 121.129 119.800 -0.008 0.000 2.293 315 Q HA 0.717 5.057 4.340 -0.000 0.000 0.216 315 Q C -0.905 175.088 176.000 -0.012 0.000 1.003 315 Q CA -0.248 55.551 55.803 -0.007 0.000 0.995 315 Q CB 1.215 29.951 28.738 -0.003 0.000 1.172 315 Q HN 0.277 nan 8.270 nan 0.000 0.518 316 T N 1.772 116.321 114.554 -0.009 0.000 3.767 316 T HA 0.310 4.660 4.350 -0.000 0.000 0.360 316 T C -2.377 172.317 174.700 -0.009 0.000 1.181 316 T CA -0.854 61.238 62.100 -0.013 0.000 1.110 316 T CB 1.470 70.329 68.868 -0.016 0.000 1.201 316 T HN 0.484 nan 8.240 nan 0.000 0.474 317 P HA 0.577 nan 4.420 nan 0.000 0.277 317 P C -0.625 176.669 177.300 -0.010 0.000 1.276 317 P CA -0.215 62.877 63.100 -0.013 0.000 0.788 317 P CB 0.844 32.537 31.700 -0.011 0.000 1.114 318 T N -1.437 113.108 114.554 -0.015 0.000 2.883 318 T HA 0.385 4.735 4.350 -0.000 0.000 0.301 318 T C -0.799 173.893 174.700 -0.014 0.000 1.158 318 T CA -0.492 61.594 62.100 -0.024 0.000 1.007 318 T CB 0.814 69.656 68.868 -0.044 0.000 1.186 318 T HN 0.323 nan 8.240 nan 0.000 0.499 319 S N 2.592 118.286 115.700 -0.010 0.000 2.489 319 S HA 0.656 5.126 4.470 -0.000 0.000 0.277 319 S C -0.515 174.081 174.600 -0.006 0.000 1.230 319 S CA -0.610 57.612 58.200 0.037 0.000 1.053 319 S CB 0.167 63.471 63.200 0.173 0.000 0.955 319 S HN 0.618 nan 8.310 nan 0.000 0.488 320 I N 3.116 123.684 120.570 -0.003 0.000 2.686 320 I HA 0.357 4.527 4.170 -0.000 0.000 0.295 320 I C -0.503 175.593 176.117 -0.035 0.000 1.114 320 I CA -0.808 60.464 61.300 -0.046 0.000 1.038 320 I CB 1.706 39.668 38.000 -0.064 0.000 1.238 320 I HN 0.698 nan 8.210 nan 0.000 0.420 321 D N 4.785 125.128 120.400 -0.094 0.000 2.399 321 D HA 0.081 4.721 4.640 -0.000 0.000 0.288 321 D C -0.356 175.882 176.300 -0.104 0.000 1.197 321 D CA 0.132 54.097 54.000 -0.059 0.000 1.081 321 D CB 0.496 41.288 40.800 -0.013 0.000 1.139 321 D HN 0.638 nan 8.370 nan 0.000 0.554 322 D N -2.566 117.795 120.400 -0.065 0.000 2.562 322 D HA 0.051 4.691 4.640 -0.000 0.000 0.246 322 D C 0.155 176.581 176.300 0.210 0.000 1.347 322 D CA -0.627 53.410 54.000 0.062 0.000 0.800 322 D CB -1.071 39.859 40.800 0.217 0.000 1.111 322 D HN 0.506 nan 8.370 nan 0.000 0.508 323 F N 1.803 121.899 119.950 0.243 0.000 3.084 323 F HA -0.300 4.227 4.527 -0.000 0.000 0.286 323 F C 0.041 176.113 175.800 0.455 0.000 0.855 323 F CA 0.699 58.879 58.000 0.301 0.000 1.091 323 F CB -1.765 37.243 39.000 0.015 0.000 1.177 323 F HN 0.007 nan 8.300 nan 0.000 0.542 324 D N -2.338 118.349 120.400 0.477 0.000 3.059 324 D HA -0.238 4.402 4.640 -0.000 0.000 0.213 324 D C 1.359 177.895 176.300 0.393 0.000 1.144 324 D CA 1.170 55.425 54.000 0.424 0.000 0.975 324 D CB -1.571 39.526 40.800 0.496 0.000 1.125 324 D HN 0.462 nan 8.370 nan 0.000 0.412 325 V N -0.479 119.590 119.914 0.258 0.000 2.453 325 V HA -0.338 3.782 4.120 -0.000 0.000 0.252 325 V C 2.660 178.847 176.094 0.155 0.000 1.068 325 V CA 2.584 64.888 62.300 0.006 0.000 1.070 325 V CB -1.255 30.336 31.823 -0.386 0.000 0.664 325 V HN 0.406 nan 8.190 nan 0.000 0.461 326 S N 0.680 116.482 115.700 0.169 0.000 2.402 326 S HA -0.305 4.165 4.470 -0.000 0.000 0.233 326 S C 1.572 176.268 174.600 0.160 0.000 1.030 326 S CA 1.855 60.147 58.200 0.152 0.000 1.003 326 S CB -0.819 62.472 63.200 0.151 0.000 0.813 326 S HN 0.633 nan 8.310 nan 0.000 0.477 327 D N 0.573 121.120 120.400 0.244 0.000 2.269 327 D HA 0.105 4.745 4.640 -0.000 0.000 0.208 327 D C 1.155 177.498 176.300 0.072 0.000 0.963 327 D CA 0.704 54.792 54.000 0.147 0.000 0.864 327 D CB -0.291 40.587 40.800 0.130 0.000 0.936 327 D HN 0.510 nan 8.370 nan 0.000 0.505 328 F N 0.010 119.985 119.950 0.042 0.000 2.530 328 F HA 0.200 4.727 4.527 -0.000 0.000 0.292 328 F C 2.130 177.950 175.800 0.033 0.000 1.109 328 F CA 0.040 58.061 58.000 0.035 0.000 1.450 328 F CB -0.426 38.596 39.000 0.037 0.000 1.114 328 F HN -0.122 nan 8.300 nan 0.000 0.560 329 L N -0.506 120.853 121.223 0.226 0.000 2.141 329 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 329 L C 2.276 179.201 176.870 0.092 0.000 1.094 329 L CA 1.232 56.178 54.840 0.176 0.000 0.763 329 L CB -1.239 40.883 42.059 0.104 0.000 0.908 329 L HN 0.126 nan 8.230 nan 0.000 0.437 330 T N -0.450 114.108 114.554 0.007 0.000 2.635 330 T HA -0.337 4.013 4.350 -0.000 0.000 0.265 330 T C 1.879 176.551 174.700 -0.047 0.000 1.058 330 T CA 2.525 64.588 62.100 -0.062 0.000 1.162 330 T CB -0.831 68.000 68.868 -0.061 0.000 0.859 330 T HN 0.640 nan 8.240 nan 0.000 0.449 331 T N 1.073 115.628 114.554 0.003 0.000 2.595 331 T HA -0.173 4.177 4.350 -0.000 0.000 0.264 331 T C 1.663 176.390 174.700 0.045 0.000 1.058 331 T CA 1.489 63.592 62.100 0.005 0.000 1.166 331 T CB -1.079 67.790 68.868 0.002 0.000 0.863 331 T HN 0.263 nan 8.240 nan 0.000 0.415 332 F N 2.551 122.478 119.950 -0.039 0.000 2.087 332 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 332 F C 2.103 177.890 175.800 -0.022 0.000 1.100 332 F CA 0.880 58.871 58.000 -0.015 0.000 1.226 332 F CB -0.826 38.200 39.000 0.043 0.000 0.983 332 F HN 0.108 nan 8.300 nan 0.000 0.479 333 L N -0.705 120.410 121.223 -0.181 0.000 1.989 333 L HA -0.280 4.060 4.340 -0.000 0.000 0.211 333 L C 2.573 179.241 176.870 -0.338 0.000 1.071 333 L CA 1.741 56.371 54.840 -0.351 0.000 0.749 333 L CB -1.122 40.701 42.059 -0.394 0.000 0.890 333 L HN 0.039 nan 8.230 nan 0.000 0.431 334 S N -0.938 114.624 115.700 -0.231 0.000 2.419 334 S HA -0.204 4.266 4.470 -0.000 0.000 0.235 334 S C 1.954 176.463 174.600 -0.151 0.000 1.019 334 S CA 1.052 59.143 58.200 -0.181 0.000 0.982 334 S CB -0.163 62.965 63.200 -0.120 0.000 0.789 334 S HN 0.399 nan 8.310 nan 0.000 0.490 335 Q N 0.683 120.393 119.800 -0.150 0.000 2.049 335 Q HA 0.088 4.428 4.340 -0.000 0.000 0.198 335 Q C 2.323 178.251 176.000 -0.120 0.000 0.971 335 Q CA 0.832 56.578 55.803 -0.095 0.000 0.833 335 Q CB -0.532 28.200 28.738 -0.010 0.000 0.896 335 Q HN 0.498 nan 8.270 nan 0.000 0.434 336 L N 0.281 121.348 121.223 -0.259 0.000 2.042 336 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 336 L C 2.580 179.419 176.870 -0.052 0.000 1.076 336 L CA 1.370 56.102 54.840 -0.181 0.000 0.749 336 L CB -0.360 41.496 42.059 -0.338 0.000 0.893 336 L HN 0.174 nan 8.230 nan 0.000 0.432 337 R N -0.219 120.203 120.500 -0.130 0.000 2.115 337 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 337 R C 2.215 178.491 176.300 -0.040 0.000 1.111 337 R CA 1.075 57.124 56.100 -0.085 0.000 0.976 337 R CB -0.375 29.808 30.300 -0.196 0.000 0.870 337 R HN 0.324 nan 8.270 nan 0.000 0.445 338 A N 0.581 123.366 122.820 -0.059 0.000 2.209 338 A HA -0.077 4.243 4.320 -0.000 0.000 0.212 338 A C 1.445 179.010 177.584 -0.032 0.000 1.158 338 A CA 0.885 52.896 52.037 -0.043 0.000 0.742 338 A CB -0.305 18.665 19.000 -0.051 0.000 0.790 338 A HN 0.610 nan 8.150 nan 0.000 0.472 339 C N -4.530 114.757 119.300 -0.021 0.000 3.144 339 C HA 0.634 5.094 4.460 -0.000 0.000 0.253 339 C C 1.568 176.576 174.990 0.031 0.000 2.010 339 C CA -0.407 58.600 59.018 -0.019 0.000 1.698 339 C CB -0.657 27.032 27.740 -0.086 0.000 3.346 339 C HN 1.383 nan 8.230 nan 0.000 0.449 340 G N 1.623 110.458 108.800 0.057 0.000 2.366 340 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.263 340 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.263 340 G C 1.080 176.062 174.900 0.136 0.000 0.986 340 G CA 1.309 46.465 45.100 0.093 0.000 0.632 340 G HN 0.566 nan 8.290 nan 0.000 0.555 341 Q N -0.762 119.129 119.800 0.151 0.000 2.368 341 Q HA -0.083 4.257 4.340 -0.000 0.000 0.210 341 Q C 1.845 177.997 176.000 0.253 0.000 0.982 341 Q CA 1.507 57.433 55.803 0.205 0.000 0.884 341 Q CB -0.437 28.475 28.738 0.290 0.000 0.933 341 Q HN 0.806 nan 8.270 nan 0.000 0.460 342 Y N 2.239 122.598 120.300 0.098 0.000 2.102 342 Y HA -0.310 4.240 4.550 -0.000 0.000 0.280 342 Y C 1.730 177.756 175.900 0.209 0.000 1.178 342 Y CA 2.062 60.247 58.100 0.142 0.000 1.146 342 Y CB -0.086 38.436 38.460 0.103 0.000 0.968 342 Y HN 0.069 nan 8.280 nan 0.000 0.504 343 E N 0.083 120.281 120.200 -0.004 0.000 2.001 343 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 343 E C 2.132 178.719 176.600 -0.021 0.000 1.002 343 E CA 1.808 58.142 56.400 -0.108 0.000 0.819 343 E CB -0.715 28.967 29.700 -0.030 0.000 0.769 343 E HN 0.448 nan 8.360 nan 0.000 0.454 344 I N 0.355 120.951 120.570 0.043 0.000 2.143 344 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 344 I C 2.169 178.306 176.117 0.033 0.000 1.068 344 I CA 1.280 62.605 61.300 0.041 0.000 1.326 344 I CB -0.563 37.484 38.000 0.078 0.000 1.028 344 I HN 0.089 nan 8.210 nan 0.000 0.412 345 F N 0.519 120.441 119.950 -0.047 0.000 2.134 345 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 345 F C 2.873 178.548 175.800 -0.208 0.000 1.097 345 F CA 1.798 59.726 58.000 -0.119 0.000 1.264 345 F CB -0.526 38.433 39.000 -0.068 0.000 1.001 345 F HN 0.048 nan 8.300 nan 0.000 0.479 346 S N -0.115 115.587 115.700 0.002 0.000 2.353 346 S HA -0.247 4.223 4.470 -0.000 0.000 0.222 346 S C 1.980 176.490 174.600 -0.150 0.000 1.035 346 S CA 1.960 60.144 58.200 -0.027 0.000 1.025 346 S CB -0.690 62.556 63.200 0.075 0.000 0.902 346 S HN 0.473 nan 8.310 nan 0.000 0.440 347 D N 0.923 121.246 120.400 -0.129 0.000 2.149 347 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 347 D C 2.091 178.271 176.300 -0.200 0.000 0.990 347 D CA 1.287 55.210 54.000 -0.128 0.000 0.839 347 D CB -0.340 40.405 40.800 -0.091 0.000 0.948 347 D HN 0.539 nan 8.370 nan 0.000 0.460 348 A N 0.382 123.027 122.820 -0.293 0.000 2.119 348 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 348 A C 2.117 179.414 177.584 -0.478 0.000 1.153 348 A CA 0.794 52.608 52.037 -0.372 0.000 0.692 348 A CB -0.156 18.588 19.000 -0.427 0.000 0.799 348 A HN 0.102 nan 8.150 nan 0.000 0.458 349 M N -0.634 118.631 119.600 -0.558 0.000 2.248 349 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 349 M C 1.249 177.386 176.300 -0.271 0.000 1.079 349 M CA 1.251 56.239 55.300 -0.521 0.000 1.150 349 M CB -1.195 31.003 32.600 -0.671 0.000 1.366 349 M HN 0.299 nan 8.290 nan 0.000 0.433 350 D N 0.368 120.650 120.400 -0.198 0.000 2.158 350 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 350 D C 1.958 178.199 176.300 -0.099 0.000 0.995 350 D CA 1.213 55.143 54.000 -0.116 0.000 0.846 350 D CB -0.167 40.596 40.800 -0.061 0.000 0.941 350 D HN 0.284 nan 8.370 nan 0.000 0.456 351 Q N -0.246 119.467 119.800 -0.146 0.000 2.046 351 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 351 Q C 1.922 177.829 176.000 -0.154 0.000 0.975 351 Q CA 0.673 56.393 55.803 -0.138 0.000 0.836 351 Q CB -0.280 28.358 28.738 -0.167 0.000 0.896 351 Q HN 0.206 nan 8.270 nan 0.000 0.428 352 L N 0.121 121.218 121.223 -0.211 0.000 1.994 352 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 352 L C 1.826 178.607 176.870 -0.149 0.000 1.071 352 L CA 2.411 57.120 54.840 -0.217 0.000 0.745 352 L CB -1.400 40.491 42.059 -0.281 0.000 0.892 352 L HN 0.319 nan 8.230 nan 0.000 0.431 353 T N 0.704 115.186 114.554 -0.121 0.000 2.652 353 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 353 T C 1.722 176.421 174.700 -0.003 0.000 1.039 353 T CA 1.619 63.681 62.100 -0.064 0.000 1.153 353 T CB -0.203 68.596 68.868 -0.115 0.000 0.863 353 T HN 0.349 nan 8.240 nan 0.000 0.428 354 N N 0.929 119.639 118.700 0.017 0.000 2.018 354 N HA -0.091 4.649 4.740 -0.000 0.000 0.196 354 N C 2.139 177.637 175.510 -0.020 0.000 1.043 354 N CA 1.367 54.435 53.050 0.031 0.000 0.856 354 N CB -0.921 37.576 38.487 0.017 0.000 1.042 354 N HN 0.239 nan 8.380 nan 0.000 0.423 355 S N 0.243 115.907 115.700 -0.061 0.000 2.420 355 S HA -0.093 4.377 4.470 -0.000 0.000 0.237 355 S C 1.781 176.325 174.600 -0.092 0.000 1.023 355 S CA 0.647 58.796 58.200 -0.084 0.000 0.991 355 S CB -0.221 62.908 63.200 -0.118 0.000 0.792 355 S HN 0.260 nan 8.310 nan 0.000 0.488 356 L N 1.380 122.550 121.223 -0.089 0.000 2.034 356 L HA 0.201 4.541 4.340 -0.000 0.000 0.203 356 L C 1.993 178.857 176.870 -0.010 0.000 1.074 356 L CA 1.610 56.391 54.840 -0.099 0.000 0.748 356 L CB -0.647 41.343 42.059 -0.116 0.000 0.905 356 L HN 0.337 nan 8.230 nan 0.000 0.439 357 I N -0.608 119.974 120.570 0.019 0.000 2.248 357 I HA -0.364 3.806 4.170 -0.000 0.000 0.248 357 I C 2.228 178.372 176.117 0.044 0.000 1.107 357 I CA 1.637 62.968 61.300 0.052 0.000 1.373 357 I CB -0.931 37.094 38.000 0.041 0.000 1.055 357 I HN 0.355 nan 8.210 nan 0.000 0.418 358 T N 1.257 115.811 114.554 0.000 0.000 2.555 358 T HA -0.190 4.160 4.350 -0.000 0.000 0.264 358 T C 1.649 176.334 174.700 -0.026 0.000 1.083 358 T CA 1.933 64.022 62.100 -0.018 0.000 1.179 358 T CB -0.438 68.406 68.868 -0.040 0.000 0.863 358 T HN 0.367 nan 8.240 nan 0.000 0.412 359 N N 0.478 119.136 118.700 -0.070 0.000 2.334 359 N HA -0.107 4.633 4.740 -0.000 0.000 0.187 359 N C 1.080 176.494 175.510 -0.159 0.000 1.016 359 N CA 0.977 53.950 53.050 -0.127 0.000 0.879 359 N CB -0.418 37.952 38.487 -0.194 0.000 0.965 359 N HN 0.552 nan 8.380 nan 0.000 0.438 360 Y N -0.064 120.197 120.300 -0.064 0.000 2.470 360 Y HA 0.272 4.822 4.550 -0.000 0.000 0.302 360 Y C 0.495 176.373 175.900 -0.037 0.000 1.194 360 Y CA -0.055 58.015 58.100 -0.051 0.000 1.271 360 Y CB 0.190 38.605 38.460 -0.075 0.000 1.092 360 Y HN -0.138 nan 8.280 nan 0.000 0.513 361 M N 0.451 120.095 119.600 0.074 0.000 2.183 361 M HA 0.163 4.643 4.480 -0.000 0.000 0.277 361 M C -1.695 174.613 176.300 0.014 0.000 0.995 361 M CA -0.679 54.648 55.300 0.045 0.000 0.969 361 M CB 1.678 34.295 32.600 0.028 0.000 1.659 361 M HN -0.093 nan 8.290 nan 0.000 0.462 362 D N 5.137 125.545 120.400 0.015 0.000 2.232 362 D HA 0.535 5.175 4.640 -0.000 0.000 0.242 362 D C -2.303 173.997 176.300 0.001 0.000 1.093 362 D CA -1.077 52.925 54.000 0.003 0.000 0.845 362 D CB 1.232 42.036 40.800 0.007 0.000 1.124 362 D HN 0.239 nan 8.370 nan 0.000 0.467 363 P HA 0.339 nan 4.420 nan 0.000 0.279 363 P C -2.494 174.798 177.300 -0.013 0.000 1.239 363 P CA -1.493 61.601 63.100 -0.009 0.000 0.789 363 P CB 0.348 32.042 31.700 -0.010 0.000 0.933 364 P HA 0.103 nan 4.420 nan 0.000 0.180 364 P C -0.910 176.375 177.300 -0.025 0.000 1.169 364 P CA 1.184 64.269 63.100 -0.025 0.000 1.228 364 P CB -0.732 30.950 31.700 -0.029 0.000 1.668 365 A N 1.904 124.710 122.820 -0.022 0.000 2.589 365 A HA 0.459 4.779 4.320 -0.000 0.000 0.296 365 A C -0.471 177.098 177.584 -0.025 0.000 1.062 365 A CA -0.784 51.239 52.037 -0.025 0.000 0.686 365 A CB 0.899 19.885 19.000 -0.024 0.000 1.282 365 A HN 0.123 nan 8.150 nan 0.000 0.404 366 I N 3.366 123.918 120.570 -0.030 0.000 2.741 366 I HA 0.115 4.285 4.170 -0.000 0.000 0.288 366 I C -1.340 174.752 176.117 -0.042 0.000 1.192 366 I CA -0.563 60.716 61.300 -0.035 0.000 1.426 366 I CB 0.217 38.194 38.000 -0.039 0.000 1.367 366 I HN 0.503 nan 8.210 nan 0.000 0.563 367 P HA 0.180 nan 4.420 nan 0.000 0.272 367 P C -0.714 176.545 177.300 -0.067 0.000 1.230 367 P CA -0.500 62.568 63.100 -0.053 0.000 0.788 367 P CB 0.804 32.471 31.700 -0.057 0.000 0.949 368 A N 0.549 123.334 122.820 -0.059 0.000 2.354 368 A HA 0.546 4.866 4.320 -0.000 0.000 0.269 368 A C 1.211 178.750 177.584 -0.076 0.000 1.109 368 A CA 0.265 52.264 52.037 -0.062 0.000 0.800 368 A CB -0.502 18.470 19.000 -0.048 0.000 1.045 368 A HN 0.908 nan 8.150 nan 0.000 0.489 369 G N -0.026 108.724 108.800 -0.084 0.000 2.157 369 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.239 369 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.239 369 G C -0.081 174.737 174.900 -0.137 0.000 0.982 369 G CA 0.284 45.327 45.100 -0.094 0.000 0.650 369 G HN 1.476 nan 8.290 nan 0.000 0.527 370 L N 1.253 122.374 121.223 -0.171 0.000 2.261 370 L HA 0.805 5.145 4.340 -0.000 0.000 0.289 370 L C 0.229 176.907 176.870 -0.321 0.000 1.059 370 L CA 0.021 54.691 54.840 -0.283 0.000 0.816 370 L CB 0.781 42.663 42.059 -0.296 0.000 1.191 370 L HN 0.975 nan 8.230 nan 0.000 0.431 371 A N 5.265 127.867 122.820 -0.364 0.000 2.402 371 A HA 0.600 4.920 4.320 -0.000 0.000 0.291 371 A C -1.146 176.265 177.584 -0.289 0.000 1.051 371 A CA -0.454 51.422 52.037 -0.268 0.000 0.716 371 A CB 0.361 19.283 19.000 -0.130 0.000 1.223 371 A HN 0.514 nan 8.150 nan 0.000 0.425 372 F N 1.251 121.170 119.950 -0.052 0.000 2.399 372 F HA 0.330 4.857 4.527 -0.000 0.000 0.342 372 F C 1.584 177.350 175.800 -0.058 0.000 1.106 372 F CA 0.341 58.304 58.000 -0.061 0.000 1.196 372 F CB 1.712 40.673 39.000 -0.065 0.000 1.163 372 F HN 0.586 nan 8.300 nan 0.000 0.547 373 T N -0.310 114.329 114.554 0.142 0.000 3.060 373 T HA 0.060 4.410 4.350 -0.000 0.000 0.249 373 T C 0.154 174.867 174.700 0.021 0.000 1.079 373 T CA 0.243 62.374 62.100 0.053 0.000 1.013 373 T CB -0.136 68.745 68.868 0.022 0.000 0.975 373 T HN 0.540 nan 8.240 nan 0.000 0.518 374 S N 1.118 116.827 115.700 0.014 0.000 2.588 374 S HA 0.644 5.114 4.470 -0.000 0.000 0.275 374 S C -3.349 171.137 174.600 -0.191 0.000 1.130 374 S CA -1.697 56.442 58.200 -0.102 0.000 0.855 374 S CB 2.298 65.419 63.200 -0.131 0.000 1.116 374 S HN -0.113 nan 8.310 nan 0.000 0.472 375 P HA 0.096 nan 4.420 nan 0.000 0.274 375 P C 1.422 178.446 177.300 -0.461 0.000 1.237 375 P CA -0.514 62.369 63.100 -0.361 0.000 0.793 375 P CB 0.283 31.700 31.700 -0.472 0.000 0.977 376 W N 3.176 124.316 121.300 -0.267 0.000 2.303 376 W HA -0.242 4.418 4.660 -0.000 0.000 0.287 376 W C 1.010 177.568 176.519 0.065 0.000 1.213 376 W CA 1.248 58.517 57.345 -0.127 0.000 1.203 376 W CB -2.097 27.363 29.460 -0.001 0.000 1.136 376 W HN 0.317 nan 8.180 nan 0.000 0.547 377 F N 0.656 119.939 119.950 -1.112 0.000 2.765 377 F HA 0.438 4.965 4.527 -0.000 0.000 0.302 377 F C 1.680 177.277 175.800 -0.339 0.000 1.111 377 F CA -0.556 56.851 58.000 -0.989 0.000 1.359 377 F CB -1.013 37.151 39.000 -1.393 0.000 1.097 377 F HN -0.285 nan 8.300 nan 0.000 0.577 378 R N -0.060 120.192 120.500 -0.413 0.000 2.586 378 R HA 0.153 4.493 4.340 -0.000 0.000 0.306 378 R C 1.111 177.420 176.300 0.016 0.000 1.079 378 R CA -0.372 55.642 56.100 -0.143 0.000 1.083 378 R CB -0.868 29.264 30.300 -0.280 0.000 1.306 378 R HN 0.355 nan 8.270 nan 0.000 0.567 379 F N 0.810 120.710 119.950 -0.082 0.000 2.131 379 F HA -0.476 4.051 4.527 -0.000 0.000 0.295 379 F C 2.351 178.171 175.800 0.033 0.000 1.046 379 F CA 2.043 60.045 58.000 0.003 0.000 1.290 379 F CB -0.078 38.967 39.000 0.074 0.000 1.042 379 F HN 0.163 nan 8.300 nan 0.000 0.498 380 S N -0.365 115.527 115.700 0.319 0.000 2.374 380 S HA -0.265 4.205 4.470 -0.000 0.000 0.227 380 S C 1.820 176.469 174.600 0.081 0.000 1.037 380 S CA 1.963 60.286 58.200 0.205 0.000 1.024 380 S CB -0.363 62.912 63.200 0.126 0.000 0.861 380 S HN 0.700 nan 8.310 nan 0.000 0.456 381 E N 0.223 120.441 120.200 0.029 0.000 2.060 381 E HA 0.042 4.392 4.350 -0.000 0.000 0.189 381 E C 2.530 179.119 176.600 -0.019 0.000 0.974 381 E CA 0.481 56.880 56.400 -0.002 0.000 0.808 381 E CB -0.175 29.518 29.700 -0.012 0.000 0.768 381 E HN 0.412 nan 8.360 nan 0.000 0.453 382 R N 0.726 121.178 120.500 -0.080 0.000 2.159 382 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 382 R C 2.253 178.478 176.300 -0.124 0.000 1.131 382 R CA 1.026 57.079 56.100 -0.079 0.000 0.982 382 R CB -0.260 29.832 30.300 -0.346 0.000 0.868 382 R HN 0.120 nan 8.270 nan 0.000 0.453 383 A N 1.639 124.308 122.820 -0.251 0.000 1.929 383 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 383 A C 2.123 179.672 177.584 -0.058 0.000 1.176 383 A CA 1.335 53.254 52.037 -0.197 0.000 0.628 383 A CB -0.347 18.608 19.000 -0.077 0.000 0.816 383 A HN 0.376 nan 8.150 nan 0.000 0.444 384 R N -0.948 119.534 120.500 -0.030 0.000 2.090 384 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 384 R C 1.759 178.049 176.300 -0.017 0.000 1.110 384 R CA 1.959 58.049 56.100 -0.016 0.000 0.973 384 R CB -1.131 29.165 30.300 -0.006 0.000 0.869 384 R HN 0.256 nan 8.270 nan 0.000 0.440 385 T N 1.541 116.095 114.554 0.000 0.000 2.708 385 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 385 T C 1.844 176.515 174.700 -0.048 0.000 1.037 385 T CA 1.547 63.637 62.100 -0.017 0.000 1.146 385 T CB -0.114 68.780 68.868 0.044 0.000 0.865 385 T HN 0.187 nan 8.240 nan 0.000 0.435 386 I N 0.535 121.103 120.570 -0.003 0.000 2.546 386 I HA 0.009 4.179 4.170 -0.000 0.000 0.255 386 I C 1.251 177.341 176.117 -0.044 0.000 1.163 386 I CA 0.998 62.283 61.300 -0.025 0.000 1.457 386 I CB -0.137 37.865 38.000 0.004 0.000 1.092 386 I HN 0.188 nan 8.210 nan 0.000 0.434 387 L N 0.721 121.922 121.223 -0.037 0.000 2.737 387 L HA 0.234 4.574 4.340 -0.000 0.000 0.236 387 L C 1.103 177.952 176.870 -0.035 0.000 1.219 387 L CA -0.089 54.730 54.840 -0.035 0.000 1.021 387 L CB -0.050 41.993 42.059 -0.027 0.000 1.291 387 L HN 0.123 nan 8.230 nan 0.000 0.470 388 A N -0.155 122.639 122.820 -0.044 0.000 2.661 388 A HA 0.377 4.697 4.320 -0.000 0.000 0.278 388 A C 0.300 177.852 177.584 -0.053 0.000 1.090 388 A CA -0.311 51.700 52.037 -0.044 0.000 0.969 388 A CB 0.404 19.378 19.000 -0.043 0.000 1.240 388 A HN 0.229 nan 8.150 nan 0.000 0.578 389 L N 1.965 123.153 121.223 -0.058 0.000 2.328 389 L HA 0.160 4.500 4.340 -0.000 0.000 0.280 389 L C 1.294 178.137 176.870 -0.045 0.000 1.111 389 L CA -0.430 54.374 54.840 -0.061 0.000 0.909 389 L CB 0.789 42.805 42.059 -0.072 0.000 1.277 389 L HN 0.516 nan 8.230 nan 0.000 0.433 390 Q N 1.391 121.168 119.800 -0.039 0.000 2.500 390 Q HA -0.112 4.228 4.340 -0.000 0.000 0.213 390 Q C 0.707 176.691 176.000 -0.027 0.000 0.974 390 Q CA 0.756 56.541 55.803 -0.029 0.000 0.918 390 Q CB -0.197 28.526 28.738 -0.025 0.000 0.980 390 Q HN 0.730 nan 8.270 nan 0.000 0.505 391 N N 0.663 119.344 118.700 -0.031 0.000 2.336 391 N HA 0.056 4.796 4.740 -0.000 0.000 0.189 391 N C -0.061 175.435 175.510 -0.024 0.000 1.113 391 N CA 0.096 53.130 53.050 -0.027 0.000 0.858 391 N CB 0.567 39.035 38.487 -0.031 0.000 0.970 391 N HN -0.025 nan 8.380 nan 0.000 0.471 392 V N 0.934 120.833 119.914 -0.026 0.000 2.680 392 V HA 0.143 4.263 4.120 -0.000 0.000 0.309 392 V C -0.176 175.908 176.094 -0.018 0.000 1.052 392 V CA -1.174 61.114 62.300 -0.020 0.000 0.908 392 V CB 1.973 33.781 31.823 -0.026 0.000 1.001 392 V HN -0.038 nan 8.190 nan 0.000 0.431 393 D N 1.759 122.154 120.400 -0.009 0.000 2.548 393 D HA -0.047 4.593 4.640 -0.000 0.000 0.231 393 D C 0.781 177.072 176.300 -0.015 0.000 1.142 393 D CA 0.170 54.166 54.000 -0.007 0.000 0.866 393 D CB 1.016 41.818 40.800 0.003 0.000 1.190 393 D HN 0.454 nan 8.370 nan 0.000 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397 R CA 1.436 57.480 56.100 -0.094 0.000 0.952 397 R CB -0.034 30.232 30.300 -0.057 0.000 0.850 397 R HN 0.289 nan 8.270 nan 0.000 0.433 398 K N 0.249 120.596 120.400 -0.088 0.000 1.991 398 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 398 K C 2.051 178.573 176.600 -0.130 0.000 1.049 398 K CA 1.303 57.551 56.287 -0.065 0.000 0.932 398 K CB -0.288 32.194 32.500 -0.030 0.000 0.717 398 K HN 0.007 nan 8.250 nan 0.000 0.441 399 L N 1.311 122.397 121.223 -0.229 0.000 2.081 399 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 399 L C 2.146 178.640 176.870 -0.625 0.000 1.080 399 L CA 1.501 56.079 54.840 -0.436 0.000 0.754 399 L CB -0.325 41.439 42.059 -0.492 0.000 0.893 399 L HN 0.222 nan 8.230 nan 0.000 0.433 400 I N -1.964 118.268 120.570 -0.564 0.000 2.179 400 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 400 I C 2.304 178.343 176.117 -0.130 0.000 1.088 400 I CA 1.008 62.050 61.300 -0.430 0.000 1.357 400 I CB -0.320 37.514 38.000 -0.276 0.000 1.051 400 I HN 0.021 nan 8.210 nan 0.000 0.409 401 V N 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54.840 0.465 0.000 0.752 404 L CB -0.296 41.933 42.059 0.284 0.000 0.899 404 L HN 0.481 nan 8.230 nan 0.000 0.433 405 W N -0.246 121.421 121.300 0.612 0.000 2.332 405 W HA -0.270 4.390 4.660 -0.000 0.000 0.321 405 W C 2.295 178.942 176.519 0.215 0.000 1.219 405 W CA 2.409 59.928 57.345 0.290 0.000 1.277 405 W CB -0.466 29.076 29.460 0.137 0.000 1.161 405 W HN -0.109 nan 8.180 nan 0.000 0.476 406 V N 1.274 121.633 119.914 0.742 0.000 2.370 406 V HA -0.380 3.740 4.120 -0.000 0.000 0.252 406 V C 2.162 178.433 176.094 0.296 0.000 1.068 406 V CA 1.875 64.495 62.300 0.534 0.000 1.061 406 V CB -0.981 31.168 31.823 0.543 0.000 0.656 406 V HN 0.244 nan 8.190 nan 0.000 0.455 407 I N -0.078 120.686 120.570 0.324 0.000 2.353 407 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 407 I C 2.509 178.723 176.117 0.162 0.000 1.119 407 I CA 1.751 63.170 61.300 0.199 0.000 1.417 407 I CB -1.685 36.419 38.000 0.174 0.000 1.078 407 I HN 0.348 nan 8.210 nan 0.000 0.421 408 T N 1.214 115.867 114.554 0.166 0.000 2.674 408 T HA -0.163 4.187 4.350 -0.000 0.000 0.265 408 T C 2.135 176.831 174.700 -0.007 0.000 1.039 408 T CA 2.135 64.336 62.100 0.169 0.000 1.150 408 T CB -0.405 68.537 68.868 0.123 0.000 0.864 408 T HN 0.537 nan 8.240 nan 0.000 0.427 409 S N 2.366 117.868 115.700 -0.330 0.000 2.365 409 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 409 S C 2.136 176.705 174.600 -0.052 0.000 1.039 409 S CA 1.140 59.102 58.200 -0.396 0.000 1.033 409 S CB -1.096 61.654 63.200 -0.751 0.000 0.887 409 S HN 0.446 nan 8.310 nan 0.000 0.447 410 L N 0.804 122.077 121.223 0.083 0.000 2.081 410 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 410 L C 2.678 179.649 176.870 0.169 0.000 1.080 410 L CA 1.566 56.540 54.840 0.223 0.000 0.754 410 L CB -0.676 41.525 42.059 0.238 0.000 0.893 410 L HN 0.373 nan 8.230 nan 0.000 0.433 411 I N -0.276 120.406 120.570 0.186 0.000 2.252 411 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 411 I C 2.747 178.795 176.117 -0.116 0.000 1.102 411 I CA 1.145 62.535 61.300 0.150 0.000 1.385 411 I CB -0.446 37.697 38.000 0.238 0.000 1.064 411 I HN 0.196 nan 8.210 nan 0.000 0.414 412 A N 0.141 122.978 122.820 0.028 0.000 2.019 412 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 412 A C 2.339 179.932 177.584 0.017 0.000 1.164 412 A CA 1.520 53.592 52.037 0.058 0.000 0.644 412 A CB -0.577 18.487 19.000 0.107 0.000 0.805 412 A HN 0.286 nan 8.150 nan 0.000 0.449 413 V N -2.148 117.776 119.914 0.016 0.000 2.492 413 V HA -0.035 4.085 4.120 -0.000 0.000 0.241 413 V C 2.087 178.091 176.094 -0.150 0.000 1.041 413 V CA 1.317 63.612 62.300 -0.008 0.000 1.057 413 V CB -0.787 31.078 31.823 0.070 0.000 0.711 413 V HN 0.513 nan 8.190 nan 0.000 0.468 414 F N 1.530 121.228 119.950 -0.421 0.000 2.293 414 F HA 0.155 4.682 4.527 -0.000 0.000 0.297 414 F C 2.354 177.880 175.800 -0.457 0.000 1.089 414 F CA 1.135 58.772 58.000 -0.606 0.000 1.377 414 F CB -1.140 36.998 39.000 -1.437 0.000 1.051 414 F HN 0.174 nan 8.300 nan 0.000 0.511 415 G N 0.026 108.630 108.800 -0.327 0.000 2.421 415 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 415 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 415 G C 1.713 176.687 174.900 0.123 0.000 1.171 415 G CA 0.644 45.596 45.100 -0.247 0.000 0.775 415 G HN 0.196 nan 8.290 nan 0.000 0.543 416 R N -0.518 119.985 120.500 0.006 0.000 2.323 416 R HA -0.267 4.073 4.340 -0.000 0.000 0.259 416 R C 1.765 177.966 176.300 -0.164 0.000 1.104 416 R CA 2.166 58.202 56.100 -0.106 0.000 0.961 416 R CB -0.782 29.250 30.300 -0.447 0.000 0.929 416 R HN 0.585 nan 8.270 nan 0.000 0.457 417 Y N -1.156 119.250 120.300 0.177 0.000 2.496 417 Y HA 0.057 4.607 4.550 -0.000 0.000 0.313 417 Y C 0.200 176.228 175.900 0.214 0.000 1.184 417 Y CA -0.892 57.296 58.100 0.147 0.000 1.275 417 Y CB -0.231 38.274 38.460 0.076 0.000 1.103 417 Y HN 0.060 nan 8.280 nan 0.000 0.513 418 Y N 2.676 123.104 120.300 0.215 0.000 2.632 418 Y HA 0.252 4.802 4.550 -0.000 0.000 0.329 418 Y C 0.190 176.169 175.900 0.132 0.000 1.174 418 Y CA -0.803 57.417 58.100 0.200 0.000 1.469 418 Y CB 0.274 38.890 38.460 0.260 0.000 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