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 3bq6_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKAYAFGFPK IGEKREFKKA LEDFWKGKIT EEQFEEEMNK LRMYMVENYR DATA SEQUENCE KNVDVIPSNE LSYYDFVLDT AVMVGAVPER FGEYRGLSTY FDMARGGKAL DATA SEQUENCE EMTKFFNTNY HYLVPEIETE EFYLLENKPL EDYLFFKSKG IETAPWVIGP DATA SEQUENCE FTFLYLSKRN GEWIRRPNQM EKLLESLVSV YKEVFEKLVE NGCKEILVNE DATA SEQUENCE PAFVCDLEKA HWDLILNVYR ELSEFPLTVF TYYDSVSDYE ACVSLPVKRL DATA SEQUENCE HFDFVSNEEN LKNLEKHGFP EDKKLVAGVI NGRQPWKVDL RKVASLVEKL DATA SEQUENCE GASAISNSCP LFHLPVTLEL ENNLPGGLKE KLAFAKEKLE ELKMLKDFLE DATA SEQUENCE GKTFDLPXXX XXXXXXXLQA VERVRNLPED SFRREKEYTE RDRIQRERLN DATA SEQUENCE LPLFPTTTIG SFPQTPEVRK MRSKYRKXXX XKEEYEAFIK EQIKKAIELQ DATA SEQUENCE EEIGLDVLVH GEFERTDMVE FFAEKLNGIA TTQNGWVLSY GSRCYRPPII DATA SEQUENCE YGTVTRPEPM TLKEITYAQS LTEKPVKGML TGPVTIMSWS YYREDIPERE DATA SEQUENCE IAYQIALAIN EEVKDLEEAG IKIVQIDEPA FREKAPIKKS KWPEYFEWAI DATA SEQUENCE NAFNLAANAR PETQIHAHMC YSDFNEIIEY IHQLEFDVIS IEASRSKGEI DATA SEQUENCE ISAFENFKGW IKQIGVGVWD IHSPAVPSIN EMREIVERVL RVLPKELIWI DATA SEQUENCE NPDCGLKTRN WDEVIPSLRN MVALAKEMRE 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.724 174.700 0.040 0.000 1.109 1 T CA 0.000 62.121 62.100 0.035 0.000 1.349 1 T CB 0.000 68.892 68.868 0.040 0.000 0.612 2 K N 2.566 123.003 120.400 0.063 0.000 2.316 2 K HA 0.663 4.982 4.320 -0.001 0.000 0.289 2 K C -0.029 176.627 176.600 0.093 0.000 1.070 2 K CA -0.400 55.914 56.287 0.045 0.000 0.928 2 K CB 0.479 33.020 32.500 0.068 0.000 1.039 2 K HN 0.696 nan 8.250 nan 0.000 0.480 3 A N 5.262 128.092 122.820 0.016 0.000 2.260 3 A HA 0.373 4.692 4.320 -0.001 0.000 0.308 3 A C -1.391 176.208 177.584 0.025 0.000 1.254 3 A CA -0.528 51.559 52.037 0.084 0.000 0.874 3 A CB 0.186 19.218 19.000 0.053 0.000 1.153 3 A HN 0.737 nan 8.150 nan 0.000 0.527 4 Y N 1.014 121.403 120.300 0.148 0.000 2.457 4 Y HA 0.638 5.188 4.550 -0.001 0.000 0.333 4 Y C 0.624 176.643 175.900 0.199 0.000 1.119 4 Y CA -0.033 58.182 58.100 0.191 0.000 1.143 4 Y CB 2.185 40.844 38.460 0.332 0.000 1.230 4 Y HN 0.875 nan 8.280 nan 0.000 0.469 5 A N 2.484 125.503 122.820 0.332 0.000 2.572 5 A HA 0.878 5.198 4.320 -0.001 0.000 0.295 5 A C -1.806 175.949 177.584 0.285 0.000 1.072 5 A CA -0.633 51.571 52.037 0.279 0.000 0.691 5 A CB 1.205 20.369 19.000 0.273 0.000 1.291 5 A HN 0.710 nan 8.150 nan 0.000 0.404 6 F N -1.749 118.200 119.950 -0.002 0.000 2.654 6 F HA 0.694 5.220 4.527 -0.001 0.000 0.308 6 F C 0.658 176.279 175.800 -0.298 0.000 1.108 6 F CA -0.430 57.452 58.000 -0.198 0.000 0.957 6 F CB 1.320 40.103 39.000 -0.361 0.000 1.309 6 F HN 1.850 nan 8.300 nan 0.000 0.446 7 G N 0.992 109.599 108.800 -0.321 0.000 2.137 7 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.237 7 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.237 7 G C -0.206 174.528 174.900 -0.276 0.000 1.002 7 G CA -0.121 44.680 45.100 -0.497 0.000 0.702 7 G HN 1.063 nan 8.290 nan 0.000 0.515 8 F N 1.933 121.746 119.950 -0.228 0.000 2.623 8 F HA 0.419 4.945 4.527 -0.001 0.000 0.383 8 F C -1.089 174.606 175.800 -0.175 0.000 1.077 8 F CA -0.960 56.870 58.000 -0.284 0.000 1.268 8 F CB 0.573 39.236 39.000 -0.562 0.000 1.053 8 F HN 0.050 nan 8.300 nan 0.000 0.571 9 P HA -0.060 nan 4.420 nan 0.000 0.265 9 P C -0.625 176.555 177.300 -0.200 0.000 1.187 9 P CA 0.256 63.122 63.100 -0.390 0.000 0.766 9 P CB 0.404 31.816 31.700 -0.481 0.000 0.820 10 K N 2.844 123.132 120.400 -0.186 0.000 2.353 10 K HA 0.110 4.429 4.320 -0.001 0.000 0.195 10 K C 1.355 177.865 176.600 -0.150 0.000 1.031 10 K CA 0.340 56.541 56.287 -0.144 0.000 1.079 10 K CB -0.331 31.986 32.500 -0.305 0.000 0.857 10 K HN 0.425 nan 8.250 nan 0.000 0.535 11 I N -1.262 119.215 120.570 -0.155 0.000 2.928 11 I HA 0.185 4.355 4.170 -0.001 0.000 0.266 11 I C 0.703 176.851 176.117 0.052 0.000 1.234 11 I CA 0.397 61.672 61.300 -0.041 0.000 1.483 11 I CB -0.666 37.315 38.000 -0.031 0.000 1.097 11 I HN 0.200 nan 8.210 nan 0.000 0.455 12 G N 1.914 110.748 108.800 0.056 0.000 2.733 12 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.686 12 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.686 12 G C 0.029 174.893 174.900 -0.059 0.000 1.373 12 G CA 0.030 45.099 45.100 -0.051 0.000 0.838 12 G HN 0.497 nan 8.290 nan 0.000 0.588 13 E N 0.249 120.352 120.200 -0.161 0.000 2.204 13 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 13 E C 1.751 178.349 176.600 -0.003 0.000 0.990 13 E CA 1.321 57.699 56.400 -0.036 0.000 0.821 13 E CB 0.049 29.716 29.700 -0.054 0.000 0.750 13 E HN 0.523 nan 8.360 nan 0.000 0.477 14 K N 0.179 120.547 120.400 -0.055 0.000 2.514 14 K HA 0.242 4.561 4.320 -0.001 0.000 0.207 14 K C -0.381 176.181 176.600 -0.064 0.000 1.035 14 K CA -0.203 56.064 56.287 -0.035 0.000 1.113 14 K CB 0.619 33.090 32.500 -0.050 0.000 0.846 14 K HN -0.051 nan 8.250 nan 0.000 0.491 15 R N 0.570 121.036 120.500 -0.058 0.000 3.525 15 R HA -0.218 4.122 4.340 -0.001 0.000 0.276 15 R C -0.037 176.229 176.300 -0.056 0.000 1.116 15 R CA 0.460 56.513 56.100 -0.078 0.000 0.745 15 R CB -1.519 28.649 30.300 -0.220 0.000 1.185 15 R HN 0.320 nan 8.270 nan 0.000 0.454 16 E N -0.301 119.873 120.200 -0.042 0.000 2.209 16 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 16 E C 1.266 177.850 176.600 -0.028 0.000 0.993 16 E CA 1.618 57.987 56.400 -0.052 0.000 0.819 16 E CB -0.152 29.511 29.700 -0.062 0.000 0.745 16 E HN 0.543 nan 8.360 nan 0.000 0.477 17 F N 1.618 121.502 119.950 -0.109 0.000 2.084 17 F HA -0.184 4.342 4.527 -0.001 0.000 0.296 17 F C 2.203 177.929 175.800 -0.123 0.000 1.111 17 F CA 1.715 59.657 58.000 -0.097 0.000 1.224 17 F CB -0.013 38.960 39.000 -0.045 0.000 0.991 17 F HN -0.152 nan 8.300 nan 0.000 0.471 18 K N 0.846 121.249 120.400 0.005 0.000 2.032 18 K HA -0.245 4.075 4.320 -0.001 0.000 0.209 18 K C 2.369 178.809 176.600 -0.266 0.000 1.048 18 K CA 2.273 58.468 56.287 -0.153 0.000 0.927 18 K CB -0.422 32.009 32.500 -0.115 0.000 0.712 18 K HN 0.263 nan 8.250 nan 0.000 0.441 19 K N 0.478 120.759 120.400 -0.197 0.000 2.097 19 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 19 K C 2.131 178.606 176.600 -0.209 0.000 1.049 19 K CA 1.589 57.767 56.287 -0.181 0.000 0.933 19 K CB -1.074 31.348 32.500 -0.129 0.000 0.717 19 K HN 0.483 nan 8.250 nan 0.000 0.442 20 A N 0.413 123.093 122.820 -0.234 0.000 1.898 20 A HA 0.116 4.435 4.320 -0.001 0.000 0.216 20 A C 2.414 179.873 177.584 -0.210 0.000 1.181 20 A CA 1.511 53.433 52.037 -0.192 0.000 0.620 20 A CB -0.292 18.546 19.000 -0.271 0.000 0.819 20 A HN 0.359 nan 8.150 nan 0.000 0.442 21 L N -0.110 120.808 121.223 -0.508 0.000 1.994 21 L HA -0.160 4.180 4.340 -0.001 0.000 0.208 21 L C 2.443 178.511 176.870 -1.336 0.000 1.071 21 L CA 2.231 56.467 54.840 -1.007 0.000 0.745 21 L CB -0.774 40.521 42.059 -1.274 0.000 0.892 21 L HN 0.474 nan 8.230 nan 0.000 0.431 22 E N -0.811 118.874 120.200 -0.858 0.000 2.106 22 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 22 E C 1.670 178.136 176.600 -0.224 0.000 0.984 22 E CA 1.098 57.236 56.400 -0.435 0.000 0.806 22 E CB -0.068 29.517 29.700 -0.191 0.000 0.750 22 E HN 0.457 nan 8.360 nan 0.000 0.458 23 D N -0.026 120.251 120.400 -0.204 0.000 2.178 23 D HA -0.132 4.507 4.640 -0.001 0.000 0.202 23 D C 1.467 177.728 176.300 -0.065 0.000 0.974 23 D CA 0.634 54.576 54.000 -0.097 0.000 0.841 23 D CB -0.138 40.624 40.800 -0.063 0.000 0.953 23 D HN 0.106 nan 8.370 nan 0.000 0.478 24 F N 0.040 119.815 119.950 -0.291 0.000 2.187 24 F HA -0.099 4.427 4.527 -0.001 0.000 0.295 24 F C 1.701 177.394 175.800 -0.178 0.000 1.091 24 F CA 0.919 58.742 58.000 -0.294 0.000 1.308 24 F CB -0.158 38.498 39.000 -0.573 0.000 1.030 24 F HN -0.068 nan 8.300 nan 0.000 0.487 25 W N 1.019 122.131 121.300 -0.312 0.000 2.374 25 W HA -0.051 4.608 4.660 -0.001 0.000 0.288 25 W C 2.482 178.827 176.519 -0.291 0.000 1.218 25 W CA 1.939 59.065 57.345 -0.364 0.000 1.245 25 W CB -1.546 27.762 29.460 -0.253 0.000 1.126 25 W HN 0.128 nan 8.180 nan 0.000 0.545 26 K N -0.019 120.381 120.400 -0.000 0.000 2.444 26 K HA 0.439 4.758 4.320 -0.001 0.000 0.193 26 K C 1.582 178.129 176.600 -0.087 0.000 1.024 26 K CA 1.090 57.358 56.287 -0.031 0.000 1.077 26 K CB -0.745 31.750 32.500 -0.008 0.000 0.833 26 K HN 0.303 nan 8.250 nan 0.000 0.517 27 G N -1.497 107.206 108.800 -0.161 0.000 2.179 27 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.260 27 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.260 27 G C 1.413 176.261 174.900 -0.087 0.000 0.977 27 G CA 1.247 46.245 45.100 -0.170 0.000 0.641 27 G HN 1.198 nan 8.290 nan 0.000 0.533 28 K N -0.309 120.055 120.400 -0.059 0.000 2.360 28 K HA 0.492 4.811 4.320 -0.001 0.000 0.201 28 K C 1.317 177.914 176.600 -0.005 0.000 1.046 28 K CA 1.708 57.978 56.287 -0.029 0.000 0.940 28 K CB -0.543 31.941 32.500 -0.027 0.000 0.748 28 K HN 1.812 nan 8.250 nan 0.000 0.465 29 I N -4.072 116.508 120.570 0.016 0.000 2.994 29 I HA 0.505 4.674 4.170 -0.001 0.000 0.306 29 I C -0.104 176.094 176.117 0.135 0.000 1.195 29 I CA -0.939 60.405 61.300 0.072 0.000 1.001 29 I CB 2.242 40.302 38.000 0.099 0.000 1.244 29 I HN 0.045 nan 8.210 nan 0.000 0.437 30 T N -1.004 113.637 114.554 0.146 0.000 2.816 30 T HA 0.219 4.569 4.350 -0.001 0.000 0.282 30 T C 0.824 175.718 174.700 0.324 0.000 0.993 30 T CA 0.100 62.313 62.100 0.189 0.000 0.994 30 T CB 1.656 70.594 68.868 0.118 0.000 1.025 30 T HN 0.930 nan 8.240 nan 0.000 0.529 31 E N 0.485 120.900 120.200 0.359 0.000 2.110 31 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 31 E C 2.432 179.120 176.600 0.147 0.000 0.988 31 E CA 1.454 58.020 56.400 0.275 0.000 0.804 31 E CB -0.509 29.345 29.700 0.255 0.000 0.745 31 E HN 0.879 nan 8.360 nan 0.000 0.458 32 E N 0.857 121.130 120.200 0.123 0.000 2.150 32 E HA -0.212 4.138 4.350 -0.001 0.000 0.193 32 E C 1.776 178.408 176.600 0.054 0.000 0.985 32 E CA 1.321 57.765 56.400 0.074 0.000 0.814 32 E CB -0.632 29.106 29.700 0.062 0.000 0.752 32 E HN 0.460 nan 8.360 nan 0.000 0.466 33 Q N -1.716 118.132 119.800 0.080 0.000 2.119 33 Q HA -0.003 4.336 4.340 -0.001 0.000 0.201 33 Q C 2.091 178.109 176.000 0.030 0.000 0.972 33 Q CA 1.351 57.187 55.803 0.055 0.000 0.847 33 Q CB -0.206 28.577 28.738 0.075 0.000 0.903 33 Q HN 0.667 nan 8.270 nan 0.000 0.433 34 F N 1.950 121.834 119.950 -0.110 0.000 2.102 34 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 34 F C 2.007 177.638 175.800 -0.282 0.000 1.105 34 F CA 1.322 59.169 58.000 -0.256 0.000 1.239 34 F CB 0.095 38.795 39.000 -0.500 0.000 0.991 34 F HN -0.024 nan 8.300 nan 0.000 0.474 35 E N 0.513 120.581 120.200 -0.220 0.000 2.150 35 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 35 E C 2.392 178.858 176.600 -0.223 0.000 0.985 35 E CA 1.367 57.607 56.400 -0.268 0.000 0.814 35 E CB -0.662 28.995 29.700 -0.071 0.000 0.752 35 E HN 0.727 nan 8.360 nan 0.000 0.466 36 E N 1.827 121.943 120.200 -0.140 0.000 2.072 36 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 36 E C 1.849 178.371 176.600 -0.131 0.000 0.985 36 E CA 1.034 57.380 56.400 -0.090 0.000 0.801 36 E CB -0.487 29.188 29.700 -0.041 0.000 0.750 36 E HN 0.110 nan 8.360 nan 0.000 0.452 37 E N -0.105 119.974 120.200 -0.203 0.000 2.085 37 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 37 E C 2.193 178.639 176.600 -0.257 0.000 0.994 37 E CA 1.319 57.585 56.400 -0.223 0.000 0.801 37 E CB -0.281 29.254 29.700 -0.275 0.000 0.743 37 E HN 0.445 nan 8.360 nan 0.000 0.453 38 M N 0.932 120.273 119.600 -0.432 0.000 2.086 38 M HA -0.112 4.367 4.480 -0.001 0.000 0.261 38 M C 1.737 177.952 176.300 -0.142 0.000 1.067 38 M CA 1.090 56.189 55.300 -0.335 0.000 1.116 38 M CB -1.274 31.006 32.600 -0.533 0.000 1.348 38 M HN 0.028 nan 8.290 nan 0.000 0.407 39 N N 0.799 119.405 118.700 -0.157 0.000 2.149 39 N HA -0.144 4.596 4.740 -0.001 0.000 0.188 39 N C 1.618 177.162 175.510 0.057 0.000 1.019 39 N CA 1.148 54.148 53.050 -0.084 0.000 0.857 39 N CB -0.298 38.191 38.487 0.004 0.000 0.997 39 N HN 0.436 nan 8.380 nan 0.000 0.426 40 K N 0.526 120.946 120.400 0.032 0.000 2.063 40 K HA -0.054 4.266 4.320 -0.001 0.000 0.208 40 K C 2.085 178.765 176.600 0.134 0.000 1.048 40 K CA 0.853 57.185 56.287 0.074 0.000 0.928 40 K CB -0.225 32.287 32.500 0.020 0.000 0.713 40 K HN 0.149 nan 8.250 nan 0.000 0.442 41 L N 0.501 121.790 121.223 0.111 0.000 2.093 41 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 41 L C 2.535 179.560 176.870 0.257 0.000 1.085 41 L CA 1.136 56.094 54.840 0.198 0.000 0.755 41 L CB -0.353 41.811 42.059 0.174 0.000 0.904 41 L HN 0.139 nan 8.230 nan 0.000 0.435 42 R N -0.585 120.042 120.500 0.212 0.000 2.094 42 R HA -0.184 4.155 4.340 -0.001 0.000 0.239 42 R C 2.338 178.909 176.300 0.450 0.000 1.137 42 R CA 1.492 57.790 56.100 0.329 0.000 0.943 42 R CB -0.319 30.090 30.300 0.181 0.000 0.850 42 R HN 0.246 nan 8.270 nan 0.000 0.433 43 M N -0.574 119.268 119.600 0.404 0.000 2.117 43 M HA -0.190 4.290 4.480 -0.001 0.000 0.262 43 M C 2.143 178.577 176.300 0.224 0.000 1.065 43 M CA 1.460 56.976 55.300 0.360 0.000 1.114 43 M CB -1.030 31.737 32.600 0.279 0.000 1.361 43 M HN 0.210 nan 8.290 nan 0.000 0.408 44 Y N 0.913 121.279 120.300 0.110 0.000 2.165 44 Y HA -0.258 4.291 4.550 -0.001 0.000 0.286 44 Y C 2.334 178.225 175.900 -0.016 0.000 1.155 44 Y CA 1.895 60.024 58.100 0.048 0.000 1.164 44 Y CB -0.153 38.345 38.460 0.064 0.000 0.978 44 Y HN 0.101 nan 8.280 nan 0.000 0.513 45 M N -0.301 119.229 119.600 -0.118 0.000 2.067 45 M HA -0.203 4.277 4.480 -0.001 0.000 0.260 45 M C 2.255 178.353 176.300 -0.336 0.000 1.069 45 M CA 2.280 57.407 55.300 -0.288 0.000 1.117 45 M CB -0.659 31.979 32.600 0.064 0.000 1.334 45 M HN 0.376 nan 8.290 nan 0.000 0.407 46 V N -2.132 117.725 119.914 -0.095 0.000 2.515 46 V HA -0.136 3.984 4.120 -0.001 0.000 0.250 46 V C 1.982 177.984 176.094 -0.153 0.000 1.058 46 V CA 1.476 63.713 62.300 -0.105 0.000 1.064 46 V CB -0.847 30.770 31.823 -0.343 0.000 0.675 46 V HN 0.336 nan 8.190 nan 0.000 0.461 47 E N 1.306 121.403 120.200 -0.171 0.000 2.110 47 E HA -0.165 4.185 4.350 -0.001 0.000 0.193 47 E C 2.210 178.634 176.600 -0.295 0.000 0.988 47 E CA 1.420 57.716 56.400 -0.173 0.000 0.804 47 E CB -0.566 29.072 29.700 -0.103 0.000 0.745 47 E HN 0.713 nan 8.360 nan 0.000 0.458 48 N N 0.037 118.408 118.700 -0.549 0.000 2.120 48 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 48 N C 1.903 177.061 175.510 -0.587 0.000 1.024 48 N CA 0.952 53.565 53.050 -0.729 0.000 0.852 48 N CB -0.284 37.367 38.487 -1.393 0.000 1.003 48 N HN 0.231 nan 8.380 nan 0.000 0.424 49 Y N 1.610 121.618 120.300 -0.488 0.000 2.145 49 Y HA -0.036 4.513 4.550 -0.001 0.000 0.286 49 Y C 2.555 178.311 175.900 -0.240 0.000 1.145 49 Y CA 1.027 58.924 58.100 -0.337 0.000 1.148 49 Y CB -0.350 37.927 38.460 -0.305 0.000 0.981 49 Y HN -0.021 nan 8.280 nan 0.000 0.507 50 R N 0.057 120.519 120.500 -0.064 0.000 2.105 50 R HA -0.166 4.174 4.340 -0.001 0.000 0.239 50 R C 2.429 178.681 176.300 -0.079 0.000 1.135 50 R CA 1.768 57.822 56.100 -0.076 0.000 0.967 50 R CB -0.411 29.839 30.300 -0.083 0.000 0.861 50 R HN 0.307 nan 8.270 nan 0.000 0.442 51 K N 0.657 120.994 120.400 -0.105 0.000 2.486 51 K HA -0.010 4.309 4.320 -0.001 0.000 0.194 51 K C 1.203 177.756 176.600 -0.079 0.000 1.033 51 K CA 1.114 57.346 56.287 -0.092 0.000 1.004 51 K CB -0.237 32.198 32.500 -0.108 0.000 0.798 51 K HN 0.266 nan 8.250 nan 0.000 0.495 52 N N -1.010 117.644 118.700 -0.078 0.000 2.324 52 N HA 0.093 4.832 4.740 -0.001 0.000 0.235 52 N C 0.354 175.848 175.510 -0.027 0.000 1.162 52 N CA 1.083 54.099 53.050 -0.057 0.000 0.834 52 N CB 1.222 39.662 38.487 -0.079 0.000 1.354 52 N HN 0.354 nan 8.380 nan 0.000 0.471 53 V N -1.184 118.720 119.914 -0.016 0.000 3.164 53 V HA 0.559 4.679 4.120 -0.001 0.000 0.313 53 V C 0.202 176.262 176.094 -0.057 0.000 1.188 53 V CA -0.622 61.671 62.300 -0.012 0.000 1.058 53 V CB 1.987 33.831 31.823 0.036 0.000 1.110 53 V HN -0.206 nan 8.190 nan 0.000 0.453 54 D N -0.124 120.217 120.400 -0.099 0.000 2.277 54 D HA 0.163 4.802 4.640 -0.001 0.000 0.209 54 D C 0.501 176.684 176.300 -0.196 0.000 0.970 54 D CA 1.029 54.946 54.000 -0.138 0.000 0.874 54 D CB 0.795 41.506 40.800 -0.148 0.000 0.982 54 D HN 0.374 nan 8.370 nan 0.000 0.504 55 V N 3.159 122.905 119.914 -0.280 0.000 2.370 55 V HA 0.200 4.320 4.120 -0.001 0.000 0.279 55 V C -0.081 175.860 176.094 -0.255 0.000 1.029 55 V CA -0.619 61.505 62.300 -0.293 0.000 0.870 55 V CB 2.011 33.538 31.823 -0.494 0.000 0.984 55 V HN -0.024 nan 8.190 nan 0.000 0.451 56 I N 7.245 127.665 120.570 -0.250 0.000 2.307 56 I HA 0.407 4.576 4.170 -0.001 0.000 0.289 56 I C -2.455 173.427 176.117 -0.391 0.000 1.021 56 I CA -3.045 58.029 61.300 -0.376 0.000 1.224 56 I CB 1.133 38.964 38.000 -0.282 0.000 1.376 56 I HN 0.357 nan 8.210 nan 0.000 0.470 57 P HA 0.236 nan 4.420 nan 0.000 0.275 57 P C -0.227 176.927 177.300 -0.242 0.000 1.227 57 P CA -0.007 62.885 63.100 -0.346 0.000 0.781 57 P CB 0.921 32.352 31.700 -0.449 0.000 0.906 58 S N 1.027 116.715 115.700 -0.019 0.000 2.806 58 S HA 0.511 4.981 4.470 -0.001 0.000 0.315 58 S C 0.137 174.855 174.600 0.197 0.000 1.127 58 S CA -0.643 57.630 58.200 0.122 0.000 0.918 58 S CB 0.577 63.950 63.200 0.288 0.000 1.240 58 S HN 0.402 nan 8.310 nan 0.000 0.552 59 N N 0.161 118.998 118.700 0.228 0.000 2.741 59 N HA -0.170 4.570 4.740 -0.001 0.000 0.250 59 N C 0.238 175.870 175.510 0.202 0.000 1.115 59 N CA 1.309 54.475 53.050 0.193 0.000 0.724 59 N CB -1.331 37.280 38.487 0.206 0.000 1.090 59 N HN 0.730 nan 8.380 nan 0.000 0.558 60 E N -0.995 119.274 120.200 0.116 0.000 2.431 60 E HA 0.074 4.423 4.350 -0.001 0.000 0.200 60 E C 0.041 176.641 176.600 -0.000 0.000 0.995 60 E CA -0.228 56.158 56.400 -0.023 0.000 0.915 60 E CB 0.341 29.950 29.700 -0.152 0.000 0.930 60 E HN 0.262 nan 8.360 nan 0.000 0.496 61 L N 2.245 123.504 121.223 0.061 0.000 2.395 61 L HA 0.138 4.477 4.340 -0.001 0.000 0.268 61 L C -0.168 176.745 176.870 0.072 0.000 1.223 61 L CA 0.099 54.990 54.840 0.087 0.000 1.093 61 L CB 0.203 42.349 42.059 0.145 0.000 1.349 61 L HN -0.212 nan 8.230 nan 0.000 0.427 62 S N 2.586 118.360 115.700 0.125 0.000 2.545 62 S HA 0.182 4.651 4.470 -0.001 0.000 0.275 62 S C 0.859 175.755 174.600 0.492 0.000 1.299 62 S CA -0.355 57.963 58.200 0.196 0.000 1.048 62 S CB 0.451 63.847 63.200 0.325 0.000 0.938 62 S HN 0.508 nan 8.310 nan 0.000 0.496 63 Y N 3.806 124.357 120.300 0.419 0.000 2.583 63 Y HA 0.137 4.686 4.550 -0.001 0.000 0.293 63 Y C 1.046 177.517 175.900 0.953 0.000 1.157 63 Y CA 0.242 58.706 58.100 0.607 0.000 1.315 63 Y CB -0.578 38.050 38.460 0.280 0.000 1.021 63 Y HN 0.869 nan 8.280 nan 0.000 0.536 64 Y N -1.486 119.360 120.300 0.909 0.000 3.042 64 Y HA 0.186 4.736 4.550 -0.001 0.000 0.230 64 Y C -0.954 175.259 175.900 0.521 0.000 1.107 64 Y CA -0.147 58.418 58.100 0.775 0.000 1.346 64 Y CB 0.841 39.712 38.460 0.685 0.000 1.421 64 Y HN -0.066 nan 8.280 nan 0.000 0.438 65 D N -0.513 120.280 120.400 0.655 0.000 2.927 65 D HA 0.193 4.832 4.640 -0.001 0.000 0.219 65 D C 0.143 176.614 176.300 0.284 0.000 1.248 65 D CA -0.472 53.749 54.000 0.368 0.000 0.861 65 D CB 0.816 41.803 40.800 0.312 0.000 1.677 65 D HN 0.036 nan 8.370 nan 0.000 0.511 66 F N 1.904 122.059 119.950 0.341 0.000 2.325 66 F HA 0.075 4.602 4.527 -0.001 0.000 0.299 66 F C 1.403 177.397 175.800 0.324 0.000 1.090 66 F CA 0.194 58.384 58.000 0.317 0.000 1.392 66 F CB -0.909 38.318 39.000 0.378 0.000 1.053 66 F HN 0.218 nan 8.300 nan 0.000 0.521 67 V N 1.142 121.116 119.914 0.100 0.000 2.379 67 V HA -0.226 3.893 4.120 -0.001 0.000 0.245 67 V C 2.516 178.810 176.094 0.334 0.000 1.044 67 V CA 1.530 64.019 62.300 0.315 0.000 1.036 67 V CB -0.722 31.274 31.823 0.289 0.000 0.664 67 V HN 0.461 nan 8.190 nan 0.000 0.453 68 L N 0.767 122.131 121.223 0.235 0.000 2.079 68 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 68 L C 2.025 179.019 176.870 0.205 0.000 1.081 68 L CA 2.088 57.021 54.840 0.156 0.000 0.752 68 L CB -1.001 41.053 42.059 -0.009 0.000 0.896 68 L HN 0.296 nan 8.230 nan 0.000 0.433 69 D N -0.942 119.635 120.400 0.294 0.000 2.117 69 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 69 D C 2.061 178.422 176.300 0.101 0.000 0.987 69 D CA 1.874 56.022 54.000 0.247 0.000 0.829 69 D CB -0.331 40.616 40.800 0.245 0.000 0.961 69 D HN 0.410 nan 8.370 nan 0.000 0.460 70 T N 0.783 115.417 114.554 0.133 0.000 2.746 70 T HA -0.097 4.252 4.350 -0.001 0.000 0.267 70 T C 2.071 176.654 174.700 -0.195 0.000 1.039 70 T CA 1.468 63.529 62.100 -0.065 0.000 1.142 70 T CB -0.320 68.571 68.868 0.038 0.000 0.866 70 T HN 0.194 nan 8.240 nan 0.000 0.444 71 A N 1.120 124.028 122.820 0.147 0.000 1.908 71 A HA -0.075 4.244 4.320 -0.001 0.000 0.218 71 A C 2.604 180.168 177.584 -0.033 0.000 1.181 71 A CA 1.512 53.677 52.037 0.213 0.000 0.627 71 A CB -1.103 18.098 19.000 0.334 0.000 0.818 71 A HN 0.356 nan 8.150 nan 0.000 0.445 72 V N -0.121 119.742 119.914 -0.086 0.000 2.358 72 V HA -0.313 3.806 4.120 -0.001 0.000 0.246 72 V C 2.589 178.494 176.094 -0.314 0.000 1.047 72 V CA 2.209 64.356 62.300 -0.256 0.000 1.035 72 V CB -0.712 30.959 31.823 -0.254 0.000 0.658 72 V HN 0.742 nan 8.190 nan 0.000 0.452 73 M N 0.870 120.310 119.600 -0.267 0.000 2.106 73 M HA -0.157 4.323 4.480 -0.001 0.000 0.259 73 M C 1.750 177.816 176.300 -0.390 0.000 1.068 73 M CA 2.530 57.640 55.300 -0.318 0.000 1.100 73 M CB -0.081 32.315 32.600 -0.339 0.000 1.351 73 M HN 0.371 nan 8.290 nan 0.000 0.404 74 V N -2.606 117.065 119.914 -0.405 0.000 3.514 74 V HA 0.468 4.588 4.120 -0.001 0.000 0.301 74 V C 1.041 176.965 176.094 -0.285 0.000 1.346 74 V CA 0.419 62.503 62.300 -0.360 0.000 1.156 74 V CB -0.892 30.660 31.823 -0.452 0.000 1.029 74 V HN 0.723 nan 8.190 nan 0.000 0.428 75 G N 0.206 108.745 108.800 -0.434 0.000 2.159 75 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.256 75 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.256 75 G C 0.507 175.329 174.900 -0.130 0.000 0.977 75 G CA 0.165 44.925 45.100 -0.567 0.000 0.652 75 G HN 1.815 nan 8.290 nan 0.000 0.531 76 A N 0.394 123.235 122.820 0.035 0.000 3.026 76 A HA 0.603 4.922 4.320 -0.001 0.000 0.272 76 A C 0.501 178.149 177.584 0.106 0.000 1.782 76 A CA 0.355 52.490 52.037 0.165 0.000 1.451 76 A CB -0.014 19.209 19.000 0.372 0.000 1.081 76 A HN 1.049 nan 8.150 nan 0.000 0.611 77 V N 3.456 123.423 119.914 0.090 0.000 2.347 77 V HA 0.267 4.386 4.120 -0.001 0.000 0.280 77 V C -2.214 174.016 176.094 0.225 0.000 1.021 77 V CA -1.610 60.771 62.300 0.135 0.000 0.847 77 V CB 1.266 33.170 31.823 0.136 0.000 0.990 77 V HN 0.565 nan 8.190 nan 0.000 0.444 78 P HA 0.271 nan 4.420 nan 0.000 0.269 78 P C 1.137 178.569 177.300 0.219 0.000 1.209 78 P CA 0.362 63.618 63.100 0.262 0.000 0.776 78 P CB 0.686 32.567 31.700 0.302 0.000 0.876 79 E N 3.493 123.747 120.200 0.090 0.000 2.147 79 E HA -0.306 4.044 4.350 -0.001 0.000 0.199 79 E C 1.757 178.348 176.600 -0.015 0.000 1.005 79 E CA 2.137 58.565 56.400 0.046 0.000 0.810 79 E CB -1.180 28.526 29.700 0.010 0.000 0.736 79 E HN 0.713 nan 8.360 nan 0.000 0.460 80 R N -0.981 119.428 120.500 -0.153 0.000 2.241 80 R HA 0.046 4.386 4.340 -0.001 0.000 0.224 80 R C 1.754 177.829 176.300 -0.375 0.000 1.101 80 R CA 1.662 57.574 56.100 -0.314 0.000 0.995 80 R CB -0.566 29.451 30.300 -0.472 0.000 0.870 80 R HN 0.465 nan 8.270 nan 0.000 0.463 81 F N 1.101 121.068 119.950 0.028 0.000 2.754 81 F HA 0.311 4.838 4.527 -0.001 0.000 0.297 81 F C 1.786 177.616 175.800 0.050 0.000 1.122 81 F CA 0.515 58.538 58.000 0.038 0.000 1.400 81 F CB 0.256 39.294 39.000 0.063 0.000 1.117 81 F HN 0.351 nan 8.300 nan 0.000 0.587 82 G N 0.722 109.628 108.800 0.177 0.000 2.575 82 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.267 82 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.267 82 G C 0.103 175.107 174.900 0.174 0.000 1.264 82 G CA -0.255 44.925 45.100 0.134 0.000 0.935 82 G HN 0.556 nan 8.290 nan 0.000 0.568 83 E N -0.935 119.347 120.200 0.136 0.000 2.465 83 E HA 0.398 4.748 4.350 -0.001 0.000 0.260 83 E C 0.069 176.777 176.600 0.180 0.000 0.980 83 E CA 0.341 56.832 56.400 0.151 0.000 0.927 83 E CB 0.261 30.024 29.700 0.105 0.000 0.934 83 E HN 1.501 nan 8.360 nan 0.000 0.459 84 Y N 2.391 122.754 120.300 0.107 0.000 2.587 84 Y HA 0.300 4.850 4.550 -0.001 0.000 0.344 84 Y C 1.145 177.096 175.900 0.085 0.000 1.061 84 Y CA 0.164 58.320 58.100 0.093 0.000 1.370 84 Y CB 0.733 39.244 38.460 0.085 0.000 1.163 84 Y HN 0.593 nan 8.280 nan 0.000 0.527 85 R N 4.278 124.558 120.500 -0.367 0.000 2.552 85 R HA 0.302 4.641 4.340 -0.001 0.000 0.314 85 R C 0.881 176.999 176.300 -0.303 0.000 1.041 85 R CA 0.328 56.301 56.100 -0.212 0.000 1.076 85 R CB 0.165 30.411 30.300 -0.091 0.000 1.290 85 R HN 1.067 nan 8.270 nan 0.000 0.563 86 G N 0.653 109.047 108.800 -0.677 0.000 2.488 86 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.237 86 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.237 86 G C 0.664 175.413 174.900 -0.252 0.000 1.209 86 G CA -0.182 44.729 45.100 -0.314 0.000 0.929 86 G HN 0.147 nan 8.290 nan 0.000 0.578 87 L N 1.457 122.659 121.223 -0.035 0.000 2.021 87 L HA -0.204 4.135 4.340 -0.001 0.000 0.215 87 L C 3.470 180.448 176.870 0.179 0.000 1.074 87 L CA 3.229 58.093 54.840 0.040 0.000 0.760 87 L CB -0.910 41.201 42.059 0.086 0.000 0.889 87 L HN 0.904 nan 8.230 nan 0.000 0.433 88 S N -1.414 114.385 115.700 0.165 0.000 2.353 88 S HA -0.221 4.248 4.470 -0.001 0.000 0.222 88 S C 1.870 176.521 174.600 0.085 0.000 1.035 88 S CA 1.923 60.229 58.200 0.177 0.000 1.025 88 S CB -1.016 62.239 63.200 0.092 0.000 0.902 88 S HN 0.411 nan 8.310 nan 0.000 0.440 89 T N 0.889 115.391 114.554 -0.086 0.000 2.708 89 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 89 T C 1.486 176.125 174.700 -0.101 0.000 1.037 89 T CA 1.468 63.481 62.100 -0.145 0.000 1.146 89 T CB -0.751 67.872 68.868 -0.407 0.000 0.865 89 T HN 0.516 nan 8.240 nan 0.000 0.435 90 Y N 1.112 121.288 120.300 -0.206 0.000 2.081 90 Y HA -0.241 4.309 4.550 -0.001 0.000 0.280 90 Y C 1.889 177.669 175.900 -0.200 0.000 1.163 90 Y CA 1.466 59.486 58.100 -0.134 0.000 1.135 90 Y CB -0.631 37.726 38.460 -0.173 0.000 0.970 90 Y HN 0.234 nan 8.280 nan 0.000 0.498 91 F N -0.073 119.979 119.950 0.171 0.000 2.325 91 F HA -0.163 4.363 4.527 -0.001 0.000 0.299 91 F C 2.006 177.695 175.800 -0.185 0.000 1.090 91 F CA 0.835 58.849 58.000 0.023 0.000 1.392 91 F CB -0.178 38.950 39.000 0.213 0.000 1.053 91 F HN 0.086 nan 8.300 nan 0.000 0.521 92 D N 0.159 120.578 120.400 0.032 0.000 2.144 92 D HA -0.148 4.492 4.640 -0.001 0.000 0.200 92 D C 2.224 178.472 176.300 -0.088 0.000 0.978 92 D CA 1.243 55.245 54.000 0.003 0.000 0.833 92 D CB -0.275 40.589 40.800 0.106 0.000 0.961 92 D HN 0.242 nan 8.370 nan 0.000 0.470 93 M N 0.002 119.363 119.600 -0.398 0.000 2.213 93 M HA -0.073 4.406 4.480 -0.001 0.000 0.263 93 M C 2.048 178.091 176.300 -0.428 0.000 1.062 93 M CA 1.217 56.105 55.300 -0.687 0.000 1.105 93 M CB 0.026 32.109 32.600 -0.862 0.000 1.385 93 M HN -0.007 nan 8.290 nan 0.000 0.417 94 A N 0.916 123.440 122.820 -0.494 0.000 1.956 94 A HA -0.023 4.296 4.320 -0.001 0.000 0.212 94 A C 1.928 179.152 177.584 -0.600 0.000 1.188 94 A CA 0.940 52.547 52.037 -0.716 0.000 0.675 94 A CB -0.020 18.246 19.000 -1.223 0.000 0.845 94 A HN 0.600 nan 8.150 nan 0.000 0.455 95 R N -1.276 118.978 120.500 -0.410 0.000 2.527 95 R HA 0.296 4.635 4.340 -0.001 0.000 0.402 95 R C 0.708 176.878 176.300 -0.217 0.000 0.933 95 R CA 0.266 56.185 56.100 -0.302 0.000 1.171 95 R CB -0.446 29.617 30.300 -0.396 0.000 1.612 95 R HN 0.264 nan 8.270 nan 0.000 0.546 96 G N -0.127 108.589 108.800 -0.140 0.000 2.653 96 G HA2 0.331 4.290 3.960 -0.001 0.000 0.265 96 G HA3 0.331 4.290 3.960 -0.001 0.000 0.265 96 G C 0.870 175.743 174.900 -0.044 0.000 1.237 96 G CA -0.245 44.816 45.100 -0.065 0.000 0.946 96 G HN 0.160 nan 8.290 nan 0.000 0.522 97 G N -1.117 107.665 108.800 -0.031 0.000 2.432 97 G HA2 0.186 4.146 3.960 -0.001 0.000 0.219 97 G HA3 0.186 4.146 3.960 -0.001 0.000 0.219 97 G C 1.223 176.105 174.900 -0.030 0.000 1.135 97 G CA 1.627 46.707 45.100 -0.033 0.000 0.767 97 G HN 1.046 nan 8.290 nan 0.000 0.550 98 K N 0.060 120.454 120.400 -0.011 0.000 2.832 98 K HA 0.823 5.142 4.320 -0.001 0.000 0.211 98 K C 0.539 177.194 176.600 0.091 0.000 1.112 98 K CA 0.343 56.611 56.287 -0.031 0.000 1.108 98 K CB -0.140 32.267 32.500 -0.154 0.000 0.899 98 K HN 0.630 nan 8.250 nan 0.000 0.464 99 A N 0.666 123.532 122.820 0.077 0.000 2.507 99 A HA 0.509 4.829 4.320 -0.001 0.000 0.235 99 A C 0.650 178.271 177.584 0.063 0.000 1.070 99 A CA -0.319 51.760 52.037 0.070 0.000 0.768 99 A CB -0.134 18.820 19.000 -0.078 0.000 1.011 99 A HN 0.628 nan 8.150 nan 0.000 0.502 100 L N 0.599 121.846 121.223 0.040 0.000 2.492 100 L HA 0.029 4.368 4.340 -0.001 0.000 0.280 100 L C 1.240 178.060 176.870 -0.083 0.000 1.240 100 L CA 0.147 54.983 54.840 -0.007 0.000 0.831 100 L CB 0.113 42.143 42.059 -0.049 0.000 1.100 100 L HN 0.870 nan 8.230 nan 0.000 0.505 101 E N 1.816 121.954 120.200 -0.103 0.000 2.392 101 E HA 0.120 4.469 4.350 -0.001 0.000 0.264 101 E C -0.703 175.780 176.600 -0.196 0.000 1.024 101 E CA -0.347 55.963 56.400 -0.151 0.000 0.903 101 E CB 0.913 30.514 29.700 -0.164 0.000 0.963 101 E HN 0.398 nan 8.360 nan 0.000 0.432 102 M N 3.805 123.278 119.600 -0.212 0.000 2.336 102 M HA 0.304 4.784 4.480 -0.001 0.000 0.342 102 M C -0.810 175.370 176.300 -0.200 0.000 1.128 102 M CA -0.087 55.070 55.300 -0.239 0.000 1.016 102 M CB 1.815 34.254 32.600 -0.268 0.000 1.665 102 M HN 0.550 nan 8.290 nan 0.000 0.445 103 T N 2.701 117.122 114.554 -0.221 0.000 2.792 103 T HA 0.403 4.753 4.350 -0.001 0.000 0.303 103 T C -1.469 173.259 174.700 0.047 0.000 1.310 103 T CA -0.838 61.230 62.100 -0.053 0.000 1.007 103 T CB 1.469 70.307 68.868 -0.049 0.000 1.335 103 T HN 0.712 nan 8.240 nan 0.000 0.504 104 K N 1.495 121.969 120.400 0.124 0.000 2.401 104 K HA 0.221 4.541 4.320 -0.001 0.000 0.278 104 K C -0.637 176.143 176.600 0.300 0.000 1.018 104 K CA -0.168 56.141 56.287 0.035 0.000 0.981 104 K CB 0.299 32.783 32.500 -0.027 0.000 0.933 104 K HN 0.411 nan 8.250 nan 0.000 0.477 105 F N 5.296 125.394 119.950 0.246 0.000 2.405 105 F HA 0.113 4.639 4.527 -0.001 0.000 0.358 105 F C 0.117 176.129 175.800 0.352 0.000 1.151 105 F CA -0.197 58.072 58.000 0.449 0.000 1.161 105 F CB -0.741 38.713 39.000 0.757 0.000 1.245 105 F HN 0.665 nan 8.300 nan 0.000 0.545 106 F N 1.006 120.843 119.950 -0.189 0.000 2.697 106 F HA -0.467 4.060 4.527 -0.001 0.000 0.250 106 F C 1.405 177.090 175.800 -0.193 0.000 1.066 106 F CA 1.655 59.504 58.000 -0.252 0.000 1.366 106 F CB -0.901 37.848 39.000 -0.418 0.000 2.184 106 F HN 0.555 nan 8.300 nan 0.000 0.407 107 N N 0.613 119.279 118.700 -0.056 0.000 2.455 107 N HA 0.199 4.939 4.740 -0.001 0.000 0.258 107 N C -0.406 174.988 175.510 -0.194 0.000 1.158 107 N CA 0.628 53.604 53.050 -0.123 0.000 0.893 107 N CB -0.302 38.124 38.487 -0.102 0.000 1.173 107 N HN 0.798 nan 8.380 nan 0.000 0.503 108 T N -3.228 111.235 114.554 -0.152 0.000 2.927 108 T HA 0.379 4.729 4.350 -0.001 0.000 0.286 108 T C 0.443 175.091 174.700 -0.087 0.000 1.040 108 T CA -0.810 61.210 62.100 -0.133 0.000 1.010 108 T CB 1.232 70.081 68.868 -0.032 0.000 1.177 108 T HN -0.087 nan 8.240 nan 0.000 0.546 109 N N -0.402 118.269 118.700 -0.049 0.000 2.322 109 N HA 0.097 4.836 4.740 -0.001 0.000 0.194 109 N C -0.628 174.990 175.510 0.180 0.000 1.126 109 N CA -0.047 52.919 53.050 -0.140 0.000 0.845 109 N CB -0.206 38.106 38.487 -0.291 0.000 0.976 109 N HN 0.645 nan 8.380 nan 0.000 0.475 110 Y N 1.382 121.835 120.300 0.254 0.000 2.309 110 Y HA 0.161 4.711 4.550 -0.001 0.000 0.327 110 Y C -0.409 175.583 175.900 0.153 0.000 1.172 110 Y CA -0.394 57.913 58.100 0.346 0.000 1.280 110 Y CB 0.357 39.086 38.460 0.449 0.000 1.234 110 Y HN 0.069 nan 8.280 nan 0.000 0.512 111 H N 5.531 124.247 119.070 -0.590 0.000 2.505 111 H HA 0.292 4.848 4.556 -0.001 0.000 0.338 111 H C -1.106 173.877 175.328 -0.574 0.000 1.057 111 H CA -0.626 55.220 56.048 -0.336 0.000 1.202 111 H CB 0.615 30.298 29.762 -0.133 0.000 1.466 111 H HN 0.632 nan 8.280 nan 0.000 0.499 112 Y N 0.804 121.009 120.300 -0.159 0.000 2.596 112 Y HA 0.652 5.201 4.550 -0.001 0.000 0.326 112 Y C -1.193 174.720 175.900 0.023 0.000 1.167 112 Y CA -1.593 56.455 58.100 -0.087 0.000 1.246 112 Y CB 0.829 39.318 38.460 0.049 0.000 1.347 112 Y HN 0.425 nan 8.280 nan 0.000 0.515 113 L N 2.634 123.861 121.223 0.007 0.000 2.282 113 L HA 0.440 4.779 4.340 -0.001 0.000 0.288 113 L C -0.730 176.122 176.870 -0.029 0.000 1.033 113 L CA -1.222 53.557 54.840 -0.102 0.000 0.807 113 L CB 1.597 43.639 42.059 -0.030 0.000 1.209 113 L HN 0.516 nan 8.230 nan 0.000 0.423 114 V N 5.314 125.127 119.914 -0.168 0.000 2.415 114 V HA 0.132 4.252 4.120 -0.001 0.000 0.267 114 V C -1.902 174.222 176.094 0.049 0.000 1.042 114 V CA -1.319 60.985 62.300 0.008 0.000 1.000 114 V CB 0.461 32.237 31.823 -0.078 0.000 1.015 114 V HN 0.593 nan 8.190 nan 0.000 0.478 115 P HA 0.195 nan 4.420 nan 0.000 0.269 115 P C -0.487 176.836 177.300 0.038 0.000 1.209 115 P CA -0.160 62.980 63.100 0.066 0.000 0.776 115 P CB 0.575 32.285 31.700 0.017 0.000 0.876 116 E N 2.150 122.390 120.200 0.067 0.000 2.129 116 E HA 0.306 4.655 4.350 -0.001 0.000 0.268 116 E C -0.426 176.222 176.600 0.081 0.000 0.900 116 E CA -0.596 55.833 56.400 0.048 0.000 0.755 116 E CB 0.815 30.542 29.700 0.046 0.000 1.117 116 E HN 0.281 nan 8.360 nan 0.000 0.410 117 I N 3.528 124.140 120.570 0.069 0.000 2.308 117 I HA 0.062 4.232 4.170 -0.001 0.000 0.293 117 I C 0.932 177.063 176.117 0.024 0.000 1.078 117 I CA 0.406 61.755 61.300 0.083 0.000 1.292 117 I CB 0.451 38.519 38.000 0.114 0.000 1.423 117 I HN 0.690 nan 8.210 nan 0.000 0.493 118 E N 2.993 123.201 120.200 0.013 0.000 2.251 118 E HA 0.054 4.404 4.350 -0.001 0.000 0.194 118 E C 0.032 176.610 176.600 -0.036 0.000 0.964 118 E CA 0.576 56.974 56.400 -0.004 0.000 0.868 118 E CB 0.579 30.290 29.700 0.018 0.000 0.828 118 E HN 0.569 nan 8.360 nan 0.000 0.481 119 T N -0.181 114.324 114.554 -0.081 0.000 2.940 119 T HA 0.342 4.692 4.350 -0.001 0.000 0.288 119 T C 0.668 175.231 174.700 -0.228 0.000 1.033 119 T CA -0.073 61.954 62.100 -0.121 0.000 1.033 119 T CB 1.675 70.479 68.868 -0.106 0.000 1.079 119 T HN 0.133 nan 8.240 nan 0.000 0.496 120 E N -0.560 119.533 120.200 -0.178 0.000 2.479 120 E HA 0.381 4.730 4.350 -0.001 0.000 0.193 120 E C 0.590 177.038 176.600 -0.253 0.000 1.049 120 E CA 0.443 56.729 56.400 -0.190 0.000 0.870 120 E CB -0.420 29.241 29.700 -0.067 0.000 0.944 120 E HN 0.850 nan 8.360 nan 0.000 0.492 121 E N 0.030 120.068 120.200 -0.270 0.000 2.114 121 E HA 0.637 4.987 4.350 -0.001 0.000 0.266 121 E C -0.794 175.694 176.600 -0.186 0.000 0.896 121 E CA -0.903 55.407 56.400 -0.149 0.000 0.750 121 E CB 0.146 29.824 29.700 -0.037 0.000 1.121 121 E HN 0.374 nan 8.360 nan 0.000 0.413 122 F N 1.354 121.374 119.950 0.116 0.000 2.379 122 F HA 0.674 5.201 4.527 -0.001 0.000 0.332 122 F C 0.300 176.188 175.800 0.148 0.000 1.096 122 F CA -0.461 57.594 58.000 0.092 0.000 1.105 122 F CB 1.269 40.284 39.000 0.024 0.000 1.189 122 F HN 0.677 nan 8.300 nan 0.000 0.515 123 Y N 0.668 121.062 120.300 0.156 0.000 2.571 123 Y HA 0.602 5.152 4.550 -0.001 0.000 0.341 123 Y C -1.523 174.374 175.900 -0.004 0.000 1.076 123 Y CA -1.980 56.151 58.100 0.053 0.000 1.029 123 Y CB 0.784 39.260 38.460 0.028 0.000 1.308 123 Y HN 0.420 nan 8.280 nan 0.000 0.461 124 L N 4.129 125.344 121.223 -0.014 0.000 2.536 124 L HA 0.167 4.506 4.340 -0.001 0.000 0.282 124 L C 0.360 177.164 176.870 -0.110 0.000 1.147 124 L CA 0.088 54.847 54.840 -0.136 0.000 0.936 124 L CB -0.008 42.002 42.059 -0.082 0.000 1.279 124 L HN 0.961 nan 8.230 nan 0.000 0.461 125 L N 4.021 125.043 121.223 -0.335 0.000 2.127 125 L HA 0.363 4.703 4.340 -0.001 0.000 0.203 125 L C 0.877 177.682 176.870 -0.107 0.000 1.080 125 L CA 1.722 56.434 54.840 -0.213 0.000 0.768 125 L CB -0.436 41.375 42.059 -0.413 0.000 0.924 125 L HN 0.647 nan 8.230 nan 0.000 0.444 126 E N -0.327 119.776 120.200 -0.163 0.000 2.321 126 E HA 0.434 4.784 4.350 -0.001 0.000 0.278 126 E C -1.161 175.367 176.600 -0.120 0.000 0.902 126 E CA -0.475 55.864 56.400 -0.102 0.000 0.758 126 E CB 0.372 30.014 29.700 -0.097 0.000 1.213 126 E HN 0.130 nan 8.360 nan 0.000 0.426 127 N N 1.411 120.066 118.700 -0.075 0.000 3.228 127 N HA 0.163 4.903 4.740 -0.001 0.000 0.289 127 N C 0.445 175.929 175.510 -0.045 0.000 1.419 127 N CA -0.187 52.816 53.050 -0.078 0.000 1.088 127 N CB 0.456 38.911 38.487 -0.054 0.000 1.357 127 N HN 0.588 nan 8.380 nan 0.000 0.504 128 K N 0.473 120.836 120.400 -0.061 0.000 2.103 128 K HA -0.076 4.244 4.320 -0.001 0.000 0.207 128 K C -0.937 175.669 176.600 0.009 0.000 1.048 128 K CA 1.376 57.639 56.287 -0.040 0.000 0.930 128 K CB -0.224 32.234 32.500 -0.070 0.000 0.716 128 K HN 0.342 nan 8.250 nan 0.000 0.444 129 P HA -0.187 nan 4.420 nan 0.000 0.215 129 P C 1.233 178.604 177.300 0.119 0.000 1.153 129 P CA 0.923 64.063 63.100 0.068 0.000 0.853 129 P CB 0.104 31.825 31.700 0.034 0.000 0.788 130 L N 0.127 121.399 121.223 0.081 0.000 2.056 130 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 130 L C 2.559 179.533 176.870 0.174 0.000 1.078 130 L CA 2.672 57.592 54.840 0.134 0.000 0.749 130 L CB -1.753 40.350 42.059 0.074 0.000 0.901 130 L HN -0.047 nan 8.230 nan 0.000 0.433 131 E N -0.790 119.472 120.200 0.104 0.000 2.058 131 E HA -0.331 4.018 4.350 -0.001 0.000 0.194 131 E C 1.970 178.641 176.600 0.119 0.000 0.997 131 E CA 1.762 58.215 56.400 0.090 0.000 0.801 131 E CB -1.226 28.495 29.700 0.034 0.000 0.746 131 E HN 0.673 nan 8.360 nan 0.000 0.450 132 D N -1.849 118.627 120.400 0.126 0.000 2.162 132 D HA -0.049 4.591 4.640 -0.001 0.000 0.203 132 D C 1.717 178.206 176.300 0.315 0.000 0.967 132 D CA 0.888 54.983 54.000 0.158 0.000 0.840 132 D CB -0.317 40.579 40.800 0.160 0.000 0.972 132 D HN 0.530 nan 8.370 nan 0.000 0.482 133 Y N 0.841 121.260 120.300 0.198 0.000 2.181 133 Y HA -0.124 4.425 4.550 -0.001 0.000 0.288 133 Y C 1.823 177.834 175.900 0.184 0.000 1.146 133 Y CA 1.489 59.711 58.100 0.203 0.000 1.164 133 Y CB -0.246 38.290 38.460 0.126 0.000 0.982 133 Y HN -0.017 nan 8.280 nan 0.000 0.515 134 L N -1.282 120.002 121.223 0.102 0.000 2.109 134 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 134 L C 2.333 179.177 176.870 -0.043 0.000 1.086 134 L CA 1.228 56.061 54.840 -0.012 0.000 0.760 134 L CB -0.766 41.351 42.059 0.096 0.000 0.910 134 L HN 0.299 nan 8.230 nan 0.000 0.437 135 F N 0.688 120.554 119.950 -0.140 0.000 2.095 135 F HA -0.289 4.238 4.527 -0.001 0.000 0.298 135 F C 2.080 177.686 175.800 -0.323 0.000 1.104 135 F CA 1.774 59.618 58.000 -0.261 0.000 1.232 135 F CB -0.276 38.494 39.000 -0.383 0.000 0.987 135 F HN -0.124 nan 8.300 nan 0.000 0.475 136 F N 0.382 120.315 119.950 -0.028 0.000 2.234 136 F HA -0.027 4.499 4.527 -0.001 0.000 0.296 136 F C 2.515 178.164 175.800 -0.252 0.000 1.089 136 F CA 1.193 59.102 58.000 -0.151 0.000 1.343 136 F CB -0.594 38.404 39.000 -0.003 0.000 1.040 136 F HN -0.165 nan 8.300 nan 0.000 0.498 137 K N 0.793 121.085 120.400 -0.180 0.000 2.063 137 K HA -0.227 4.092 4.320 -0.001 0.000 0.208 137 K C 2.322 178.820 176.600 -0.170 0.000 1.048 137 K CA 1.820 57.947 56.287 -0.267 0.000 0.928 137 K CB -0.363 31.835 32.500 -0.503 0.000 0.713 137 K HN 0.296 nan 8.250 nan 0.000 0.442 138 S N -0.002 115.589 115.700 -0.181 0.000 2.419 138 S HA -0.143 4.327 4.470 -0.001 0.000 0.235 138 S C 2.022 176.525 174.600 -0.162 0.000 1.019 138 S CA 1.647 59.754 58.200 -0.156 0.000 0.982 138 S CB -0.373 62.726 63.200 -0.169 0.000 0.789 138 S HN 0.445 nan 8.310 nan 0.000 0.490 139 K N 0.729 121.011 120.400 -0.196 0.000 2.444 139 K HA 0.514 4.833 4.320 -0.001 0.000 0.193 139 K C 1.358 177.908 176.600 -0.083 0.000 1.024 139 K CA 0.625 56.818 56.287 -0.156 0.000 1.077 139 K CB -1.463 30.922 32.500 -0.193 0.000 0.833 139 K HN 1.472 nan 8.250 nan 0.000 0.517 140 G N 0.439 109.193 108.800 -0.077 0.000 2.198 140 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.257 140 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.257 140 G C 0.001 174.877 174.900 -0.039 0.000 1.042 140 G CA 0.296 45.364 45.100 -0.053 0.000 0.791 140 G HN 0.564 nan 8.290 nan 0.000 0.502 141 I N 0.247 120.797 120.570 -0.032 0.000 2.411 141 I HA 0.338 4.507 4.170 -0.001 0.000 0.284 141 I C 0.098 176.187 176.117 -0.046 0.000 1.012 141 I CA -0.971 60.312 61.300 -0.027 0.000 1.119 141 I CB 1.703 39.706 38.000 0.004 0.000 1.261 141 I HN 0.124 nan 8.210 nan 0.000 0.448 142 E N 5.405 125.578 120.200 -0.044 0.000 2.290 142 E HA 0.289 4.638 4.350 -0.001 0.000 0.277 142 E C -0.386 176.210 176.600 -0.006 0.000 1.035 142 E CA -0.063 56.331 56.400 -0.009 0.000 0.873 142 E CB 0.754 30.468 29.700 0.024 0.000 1.029 142 E HN 0.642 nan 8.360 nan 0.000 0.419 143 T N 1.000 115.600 114.554 0.076 0.000 2.916 143 T HA 0.795 5.145 4.350 -0.001 0.000 0.292 143 T C -0.612 174.193 174.700 0.176 0.000 1.055 143 T CA -0.864 61.269 62.100 0.055 0.000 1.009 143 T CB 1.698 70.566 68.868 -0.001 0.000 1.118 143 T HN 0.426 nan 8.240 nan 0.000 0.497 144 A N 2.600 125.461 122.820 0.068 0.000 2.267 144 A HA 0.721 5.040 4.320 -0.001 0.000 0.315 144 A C -2.856 174.782 177.584 0.089 0.000 1.297 144 A CA -2.019 50.062 52.037 0.074 0.000 0.865 144 A CB 0.095 19.128 19.000 0.055 0.000 1.165 144 A HN 0.636 nan 8.150 nan 0.000 0.513 145 P HA 0.021 nan 4.420 nan 0.000 0.265 145 P C -0.825 176.559 177.300 0.139 0.000 1.193 145 P CA 0.358 63.542 63.100 0.140 0.000 0.765 145 P CB 0.339 32.104 31.700 0.108 0.000 0.823 146 W N 6.274 127.558 121.300 -0.026 0.000 2.308 146 W HA 0.452 5.111 4.660 -0.001 0.000 0.311 146 W C -0.949 175.558 176.519 -0.020 0.000 1.088 146 W CA -0.223 57.077 57.345 -0.075 0.000 1.309 146 W CB 0.670 30.063 29.460 -0.113 0.000 1.229 146 W HN 0.214 nan 8.180 nan 0.000 0.427 147 V N 5.753 125.455 119.914 -0.355 0.000 2.914 147 V HA 0.559 4.679 4.120 -0.001 0.000 0.314 147 V C -0.358 175.460 176.094 -0.460 0.000 1.084 147 V CA -1.317 60.827 62.300 -0.259 0.000 0.963 147 V CB 1.650 33.485 31.823 0.020 0.000 1.025 147 V HN 0.292 nan 8.190 nan 0.000 0.432 148 I N 3.468 123.892 120.570 -0.243 0.000 2.471 148 I HA 0.399 4.569 4.170 -0.001 0.000 0.286 148 I C 1.332 177.491 176.117 0.071 0.000 1.079 148 I CA 0.710 61.951 61.300 -0.099 0.000 1.398 148 I CB 0.572 38.672 38.000 0.166 0.000 1.403 148 I HN 1.022 nan 8.210 nan 0.000 0.530 149 G N 7.659 116.449 108.800 -0.016 0.000 2.636 149 G HA2 0.267 4.227 3.960 -0.001 0.000 0.246 149 G HA3 0.267 4.227 3.960 -0.001 0.000 0.246 149 G C -1.772 173.066 174.900 -0.103 0.000 1.216 149 G CA -0.729 44.341 45.100 -0.050 0.000 0.854 149 G HN 0.429 nan 8.290 nan 0.000 0.572 150 P HA -0.110 nan 4.420 nan 0.000 0.216 150 P C 1.629 178.928 177.300 -0.001 0.000 1.153 150 P CA 0.705 63.541 63.100 -0.440 0.000 0.848 150 P CB 0.044 31.302 31.700 -0.738 0.000 0.787 151 F N 0.305 120.227 119.950 -0.047 0.000 2.075 151 F HA -0.194 4.332 4.527 -0.001 0.000 0.297 151 F C 2.082 177.936 175.800 0.090 0.000 1.113 151 F CA 1.880 59.917 58.000 0.063 0.000 1.218 151 F CB -0.981 38.111 39.000 0.153 0.000 0.984 151 F HN -0.150 nan 8.300 nan 0.000 0.472 152 T N 0.817 115.433 114.554 0.104 0.000 2.746 152 T HA -0.241 4.108 4.350 -0.001 0.000 0.267 152 T C 1.630 176.385 174.700 0.090 0.000 1.039 152 T CA 1.618 63.749 62.100 0.053 0.000 1.142 152 T CB -0.750 68.163 68.868 0.075 0.000 0.866 152 T HN 0.387 nan 8.240 nan 0.000 0.444 153 F N 1.536 121.492 119.950 0.011 0.000 2.069 153 F HA -0.098 4.429 4.527 -0.001 0.000 0.298 153 F C 1.952 177.767 175.800 0.024 0.000 1.113 153 F CA 0.977 59.005 58.000 0.047 0.000 1.214 153 F CB -0.588 38.443 39.000 0.052 0.000 0.978 153 F HN 0.021 nan 8.300 nan 0.000 0.474 154 L N -0.478 120.718 121.223 -0.045 0.000 2.046 154 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 154 L C 2.183 178.936 176.870 -0.195 0.000 1.077 154 L CA 1.774 56.531 54.840 -0.139 0.000 0.747 154 L CB -1.396 40.647 42.059 -0.026 0.000 0.896 154 L HN 0.366 nan 8.230 nan 0.000 0.432 155 Y N -0.773 119.284 120.300 -0.404 0.000 2.333 155 Y HA -0.171 4.379 4.550 -0.001 0.000 0.290 155 Y C 1.952 177.655 175.900 -0.329 0.000 1.144 155 Y CA 1.436 59.274 58.100 -0.436 0.000 1.228 155 Y CB 0.028 38.134 38.460 -0.590 0.000 0.985 155 Y HN 0.156 nan 8.280 nan 0.000 0.542 156 L N -0.800 120.341 121.223 -0.138 0.000 2.592 156 L HA 0.121 4.460 4.340 -0.001 0.000 0.227 156 L C 0.603 177.588 176.870 0.190 0.000 1.127 156 L CA -0.153 54.644 54.840 -0.073 0.000 0.884 156 L CB -0.129 41.819 42.059 -0.185 0.000 1.065 156 L HN -0.052 nan 8.230 nan 0.000 0.457 157 S N -0.508 115.204 115.700 0.019 0.000 2.722 157 S HA 0.508 4.978 4.470 -0.001 0.000 0.292 157 S C -0.200 174.486 174.600 0.144 0.000 1.135 157 S CA -0.646 57.564 58.200 0.016 0.000 1.003 157 S CB 2.056 65.106 63.200 -0.251 0.000 1.067 157 S HN 0.069 nan 8.310 nan 0.000 0.546 158 K N 0.678 121.096 120.400 0.029 0.000 2.328 158 K HA 0.589 4.909 4.320 -0.001 0.000 0.246 158 K C -0.718 175.862 176.600 -0.033 0.000 0.955 158 K CA -0.761 55.495 56.287 -0.052 0.000 0.817 158 K CB 1.941 34.300 32.500 -0.234 0.000 1.208 158 K HN 0.413 nan 8.250 nan 0.000 0.432 159 R N 1.748 122.224 120.500 -0.041 0.000 2.564 159 R HA 0.175 4.514 4.340 -0.001 0.000 0.284 159 R C -0.979 175.293 176.300 -0.046 0.000 1.031 159 R CA -0.360 55.725 56.100 -0.024 0.000 0.904 159 R CB 0.805 31.109 30.300 0.006 0.000 1.199 159 R HN 0.737 nan 8.270 nan 0.000 0.443 160 N N 2.490 121.162 118.700 -0.046 0.000 2.727 160 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 160 N C 0.509 175.972 175.510 -0.079 0.000 1.048 160 N CA 1.670 54.689 53.050 -0.052 0.000 0.714 160 N CB -1.161 37.304 38.487 -0.036 0.000 0.959 160 N HN 1.091 nan 8.380 nan 0.000 0.544 161 G N -2.843 105.892 108.800 -0.109 0.000 2.162 161 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.260 161 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.260 161 G C 0.037 174.803 174.900 -0.224 0.000 0.976 161 G CA 1.653 46.659 45.100 -0.156 0.000 0.655 161 G HN 1.169 nan 8.290 nan 0.000 0.533 162 E N -0.992 119.084 120.200 -0.206 0.000 2.369 162 E HA 0.613 4.963 4.350 -0.001 0.000 0.270 162 E C -0.032 176.448 176.600 -0.200 0.000 0.909 162 E CA -0.768 55.487 56.400 -0.242 0.000 0.775 162 E CB 0.589 30.223 29.700 -0.110 0.000 1.270 162 E HN 0.725 nan 8.360 nan 0.000 0.445 163 W N -0.244 120.997 121.300 -0.098 0.000 2.124 163 W HA 0.362 5.021 4.660 -0.001 0.000 0.356 163 W C 0.803 177.240 176.519 -0.136 0.000 1.302 163 W CA -0.150 57.105 57.345 -0.150 0.000 1.293 163 W CB 0.419 29.752 29.460 -0.212 0.000 1.199 163 W HN 0.473 nan 8.180 nan 0.000 0.606 164 I N 2.668 123.319 120.570 0.135 0.000 2.779 164 I HA 0.259 4.429 4.170 -0.001 0.000 0.294 164 I C 0.523 176.619 176.117 -0.036 0.000 1.241 164 I CA -0.246 61.077 61.300 0.038 0.000 1.069 164 I CB 0.002 38.020 38.000 0.031 0.000 1.772 164 I HN 0.557 nan 8.210 nan 0.000 0.582 165 R N 1.311 121.798 120.500 -0.023 0.000 2.469 165 R HA 0.293 4.633 4.340 -0.001 0.000 0.250 165 R C 0.484 176.903 176.300 0.198 0.000 0.909 165 R CA -0.407 55.661 56.100 -0.053 0.000 1.050 165 R CB 0.700 30.799 30.300 -0.334 0.000 1.256 165 R HN 0.342 nan 8.270 nan 0.000 0.550 166 R N 1.568 122.148 120.500 0.133 0.000 2.491 166 R HA 0.089 4.428 4.340 -0.001 0.000 0.283 166 R C -1.897 174.451 176.300 0.080 0.000 1.072 166 R CA -1.601 54.567 56.100 0.113 0.000 1.048 166 R CB 0.425 30.758 30.300 0.055 0.000 0.983 166 R HN -0.147 nan 8.270 nan 0.000 0.450 167 P HA -0.192 nan 4.420 nan 0.000 0.216 167 P C 0.506 177.804 177.300 -0.003 0.000 1.150 167 P CA 1.400 64.435 63.100 -0.108 0.000 0.843 167 P CB 0.091 31.622 31.700 -0.281 0.000 0.787 168 N N -0.779 117.918 118.700 -0.005 0.000 2.550 168 N HA -0.140 4.599 4.740 -0.001 0.000 0.186 168 N C 1.381 176.911 175.510 0.034 0.000 1.110 168 N CA 1.042 54.101 53.050 0.015 0.000 0.912 168 N CB -1.114 37.377 38.487 0.007 0.000 0.968 168 N HN 0.270 nan 8.380 nan 0.000 0.448 169 Q N -0.759 119.069 119.800 0.046 0.000 2.376 169 Q HA 0.270 4.610 4.340 -0.001 0.000 0.206 169 Q C 1.500 177.545 176.000 0.074 0.000 0.921 169 Q CA 0.530 56.366 55.803 0.054 0.000 0.911 169 Q CB 0.120 28.890 28.738 0.053 0.000 1.032 169 Q HN 0.470 nan 8.270 nan 0.000 0.510 170 M N -0.627 119.028 119.600 0.091 0.000 2.534 170 M HA 0.023 4.502 4.480 -0.001 0.000 0.263 170 M C 1.715 178.090 176.300 0.125 0.000 1.152 170 M CA 0.551 55.922 55.300 0.119 0.000 1.145 170 M CB 0.149 32.845 32.600 0.160 0.000 1.333 170 M HN 0.117 nan 8.290 nan 0.000 0.477 171 E N 1.999 122.260 120.200 0.102 0.000 2.048 171 E HA -0.274 4.075 4.350 -0.001 0.000 0.202 171 E C 2.327 178.985 176.600 0.097 0.000 1.021 171 E CA 2.856 59.311 56.400 0.092 0.000 0.825 171 E CB 0.055 29.793 29.700 0.064 0.000 0.756 171 E HN 0.426 nan 8.360 nan 0.000 0.454 172 K N 0.610 121.064 120.400 0.089 0.000 2.057 172 K HA -0.097 4.223 4.320 -0.001 0.000 0.207 172 K C 2.122 178.804 176.600 0.136 0.000 1.049 172 K CA 1.580 57.922 56.287 0.091 0.000 0.931 172 K CB -1.145 31.396 32.500 0.067 0.000 0.714 172 K HN 0.199 nan 8.250 nan 0.000 0.440 173 L N 0.204 121.529 121.223 0.170 0.000 2.042 173 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 173 L C 2.794 179.855 176.870 0.318 0.000 1.076 173 L CA 1.125 56.148 54.840 0.305 0.000 0.749 173 L CB -0.451 41.807 42.059 0.333 0.000 0.893 173 L HN 0.300 nan 8.230 nan 0.000 0.432 174 L N -0.073 121.268 121.223 0.196 0.000 2.042 174 L HA -0.261 4.079 4.340 -0.001 0.000 0.210 174 L C 3.205 180.136 176.870 0.102 0.000 1.076 174 L CA 1.836 56.753 54.840 0.129 0.000 0.749 174 L CB -1.011 41.122 42.059 0.123 0.000 0.893 174 L HN 0.411 nan 8.230 nan 0.000 0.432 175 E N -0.485 119.783 120.200 0.114 0.000 2.031 175 E HA -0.281 4.068 4.350 -0.001 0.000 0.193 175 E C 2.299 178.971 176.600 0.119 0.000 0.994 175 E CA 1.719 58.174 56.400 0.093 0.000 0.800 175 E CB -0.993 28.757 29.700 0.083 0.000 0.752 175 E HN 0.434 nan 8.360 nan 0.000 0.447 176 S N -0.525 115.289 115.700 0.189 0.000 2.382 176 S HA -0.092 4.377 4.470 -0.001 0.000 0.228 176 S C 2.104 176.882 174.600 0.297 0.000 1.027 176 S CA 1.363 59.717 58.200 0.256 0.000 0.991 176 S CB -0.333 63.053 63.200 0.310 0.000 0.823 176 S HN 0.433 nan 8.310 nan 0.000 0.469 177 L N 1.877 123.256 121.223 0.261 0.000 1.994 177 L HA -0.006 4.334 4.340 -0.001 0.000 0.208 177 L C 2.380 179.251 176.870 0.002 0.000 1.071 177 L CA 1.786 56.574 54.840 -0.088 0.000 0.745 177 L CB -1.025 40.865 42.059 -0.283 0.000 0.892 177 L HN 0.233 nan 8.230 nan 0.000 0.431 178 V N -1.053 118.850 119.914 -0.018 0.000 2.392 178 V HA -0.304 3.815 4.120 -0.001 0.000 0.249 178 V C 2.795 178.889 176.094 -0.001 0.000 1.059 178 V CA 1.768 64.032 62.300 -0.060 0.000 1.051 178 V CB -0.955 30.819 31.823 -0.081 0.000 0.658 178 V HN 0.653 nan 8.190 nan 0.000 0.455 179 S N -0.223 115.495 115.700 0.030 0.000 2.374 179 S HA -0.190 4.279 4.470 -0.001 0.000 0.227 179 S C 1.930 176.521 174.600 -0.016 0.000 1.037 179 S CA 2.056 60.274 58.200 0.031 0.000 1.024 179 S CB -0.226 63.012 63.200 0.064 0.000 0.861 179 S HN 0.383 nan 8.310 nan 0.000 0.456 180 V N 0.338 120.231 119.914 -0.035 0.000 2.453 180 V HA -0.084 4.035 4.120 -0.001 0.000 0.247 180 V C 1.987 177.883 176.094 -0.331 0.000 1.048 180 V CA 1.683 63.892 62.300 -0.152 0.000 1.049 180 V CB -0.980 30.729 31.823 -0.191 0.000 0.672 180 V HN 0.562 nan 8.190 nan 0.000 0.457 181 Y N 1.387 121.411 120.300 -0.462 0.000 2.224 181 Y HA -0.233 4.317 4.550 -0.001 0.000 0.289 181 Y C 2.672 178.006 175.900 -0.942 0.000 1.146 181 Y CA 2.206 59.815 58.100 -0.819 0.000 1.182 181 Y CB -0.611 37.374 38.460 -0.793 0.000 0.983 181 Y HN 0.264 nan 8.280 nan 0.000 0.524 182 K N 0.676 120.881 120.400 -0.325 0.000 2.032 182 K HA -0.202 4.117 4.320 -0.001 0.000 0.209 182 K C 1.952 178.434 176.600 -0.197 0.000 1.048 182 K CA 2.035 58.218 56.287 -0.172 0.000 0.927 182 K CB -1.715 30.840 32.500 0.091 0.000 0.712 182 K HN 0.518 nan 8.250 nan 0.000 0.441 183 E N 0.506 120.607 120.200 -0.165 0.000 2.051 183 E HA -0.071 4.279 4.350 -0.001 0.000 0.192 183 E C 2.382 178.873 176.600 -0.181 0.000 0.991 183 E CA 1.584 57.914 56.400 -0.116 0.000 0.799 183 E CB -1.105 28.543 29.700 -0.087 0.000 0.748 183 E HN 0.373 nan 8.360 nan 0.000 0.449 184 V N 0.238 119.959 119.914 -0.322 0.000 2.287 184 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 184 V C 2.481 178.474 176.094 -0.168 0.000 1.053 184 V CA 2.147 64.269 62.300 -0.296 0.000 1.027 184 V CB -0.787 30.756 31.823 -0.467 0.000 0.646 184 V HN 0.662 nan 8.190 nan 0.000 0.447 185 F N 0.521 120.207 119.950 -0.441 0.000 2.146 185 F HA -0.154 4.372 4.527 -0.001 0.000 0.298 185 F C 2.871 178.398 175.800 -0.455 0.000 1.096 185 F CA 0.949 58.562 58.000 -0.644 0.000 1.275 185 F CB -0.638 37.535 39.000 -1.378 0.000 1.008 185 F HN 0.308 nan 8.300 nan 0.000 0.480 186 E N 1.382 121.508 120.200 -0.123 0.000 2.058 186 E HA -0.271 4.079 4.350 -0.001 0.000 0.194 186 E C 2.086 178.741 176.600 0.092 0.000 0.997 186 E CA 2.108 58.620 56.400 0.186 0.000 0.801 186 E CB -1.219 28.608 29.700 0.211 0.000 0.746 186 E HN 0.444 nan 8.360 nan 0.000 0.450 187 K N 0.452 120.866 120.400 0.023 0.000 2.057 187 K HA 0.112 4.432 4.320 -0.001 0.000 0.207 187 K C 2.424 179.024 176.600 0.001 0.000 1.049 187 K CA 1.380 57.678 56.287 0.018 0.000 0.931 187 K CB -0.882 31.618 32.500 -0.001 0.000 0.714 187 K HN 0.452 nan 8.250 nan 0.000 0.440 188 L N 0.185 121.382 121.223 -0.042 0.000 1.994 188 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 188 L C 2.641 179.416 176.870 -0.158 0.000 1.071 188 L CA 1.162 55.904 54.840 -0.164 0.000 0.745 188 L CB -0.484 41.460 42.059 -0.191 0.000 0.892 188 L HN 0.223 nan 8.230 nan 0.000 0.431 189 V N 0.239 120.134 119.914 -0.033 0.000 2.343 189 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 189 V C 3.018 179.138 176.094 0.043 0.000 1.051 189 V CA 2.274 64.592 62.300 0.029 0.000 1.036 189 V CB -1.088 30.834 31.823 0.165 0.000 0.654 189 V HN 0.641 nan 8.190 nan 0.000 0.451 190 E N -0.089 120.148 120.200 0.062 0.000 2.209 190 E HA -0.249 4.100 4.350 -0.001 0.000 0.196 190 E C 1.702 178.341 176.600 0.066 0.000 0.993 190 E CA 1.537 57.975 56.400 0.065 0.000 0.819 190 E CB -0.675 29.065 29.700 0.067 0.000 0.745 190 E HN 0.732 nan 8.360 nan 0.000 0.477 191 N N -0.701 118.037 118.700 0.063 0.000 2.314 191 N HA 0.191 4.930 4.740 -0.001 0.000 0.200 191 N C 0.972 176.594 175.510 0.187 0.000 1.135 191 N CA 0.721 53.852 53.050 0.135 0.000 0.835 191 N CB 1.096 39.704 38.487 0.201 0.000 0.989 191 N HN 0.552 nan 8.380 nan 0.000 0.478 192 G N 1.081 109.938 108.800 0.095 0.000 2.132 192 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.234 192 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.234 192 G C 0.260 175.220 174.900 0.099 0.000 0.989 192 G CA -0.083 45.086 45.100 0.115 0.000 0.676 192 G HN 0.442 nan 8.290 nan 0.000 0.522 193 C N 0.684 119.907 119.300 -0.128 0.000 2.648 193 C HA 0.617 5.077 4.460 -0.001 0.000 0.419 193 C C 1.783 176.731 174.990 -0.070 0.000 1.352 193 C CA 1.462 60.319 59.018 -0.268 0.000 1.816 193 C CB 0.065 27.425 27.740 -0.634 0.000 2.598 193 C HN 1.022 nan 8.230 nan 0.000 0.598 194 K N 3.299 123.699 120.400 0.000 0.000 2.354 194 K HA 0.331 4.651 4.320 -0.001 0.000 0.194 194 K C 0.549 177.153 176.600 0.007 0.000 1.045 194 K CA 0.831 57.128 56.287 0.017 0.000 1.026 194 K CB 0.167 32.691 32.500 0.040 0.000 0.866 194 K HN 0.882 nan 8.250 nan 0.000 0.530 195 E N -0.725 119.470 120.200 -0.007 0.000 2.378 195 E HA 0.553 4.902 4.350 -0.001 0.000 0.283 195 E C -1.895 174.688 176.600 -0.029 0.000 0.979 195 E CA -0.583 55.819 56.400 0.002 0.000 0.795 195 E CB 1.727 31.463 29.700 0.060 0.000 1.221 195 E HN 0.213 nan 8.360 nan 0.000 0.428 196 I N 4.587 125.117 120.570 -0.067 0.000 2.499 196 I HA 0.292 4.462 4.170 -0.001 0.000 0.288 196 I C -0.637 175.454 176.117 -0.043 0.000 1.048 196 I CA -0.832 60.395 61.300 -0.123 0.000 1.062 196 I CB 1.538 39.307 38.000 -0.385 0.000 1.238 196 I HN 0.393 nan 8.210 nan 0.000 0.426 197 L N 6.929 128.156 121.223 0.006 0.000 2.282 197 L HA 0.392 4.731 4.340 -0.001 0.000 0.287 197 L C -0.447 176.338 176.870 -0.142 0.000 1.075 197 L CA -0.651 54.213 54.840 0.041 0.000 0.839 197 L CB 0.737 42.772 42.059 -0.041 0.000 1.219 197 L HN 0.295 nan 8.230 nan 0.000 0.434 198 V N 3.491 123.382 119.914 -0.039 0.000 2.350 198 V HA 0.214 4.334 4.120 -0.001 0.000 0.276 198 V C 0.271 176.255 176.094 -0.183 0.000 1.028 198 V CA -0.606 61.635 62.300 -0.098 0.000 0.860 198 V CB 1.167 33.018 31.823 0.046 0.000 0.990 198 V HN 0.676 nan 8.190 nan 0.000 0.453 199 N N 4.635 123.103 118.700 -0.387 0.000 2.419 199 N HA 0.296 5.036 4.740 -0.001 0.000 0.264 199 N C -0.340 174.933 175.510 -0.395 0.000 1.031 199 N CA -0.312 52.488 53.050 -0.417 0.000 0.951 199 N CB 1.695 39.848 38.487 -0.557 0.000 1.101 199 N HN 0.611 nan 8.380 nan 0.000 0.488 200 E N 2.409 122.261 120.200 -0.580 0.000 3.896 200 E HA 0.169 4.519 4.350 -0.001 0.000 0.217 200 E C -1.751 174.340 176.600 -0.848 0.000 1.150 200 E CA -1.422 54.482 56.400 -0.827 0.000 1.338 200 E CB 1.144 29.887 29.700 -1.595 0.000 1.242 200 E HN 0.433 nan 8.360 nan 0.000 0.435 201 P HA -0.129 nan 4.420 nan 0.000 0.219 201 P C 1.207 178.194 177.300 -0.521 0.000 1.146 201 P CA 0.842 63.388 63.100 -0.923 0.000 0.808 201 P CB 0.219 31.157 31.700 -1.270 0.000 0.779 202 A N -1.093 121.616 122.820 -0.184 0.000 2.178 202 A HA -0.137 4.182 4.320 -0.001 0.000 0.218 202 A C 1.649 179.234 177.584 0.001 0.000 1.157 202 A CA 0.792 52.789 52.037 -0.066 0.000 0.689 202 A CB -1.595 17.278 19.000 -0.211 0.000 0.787 202 A HN 0.027 nan 8.150 nan 0.000 0.465 203 F N -0.349 119.466 119.950 -0.225 0.000 2.451 203 F HA -0.077 4.450 4.527 -0.001 0.000 0.299 203 F C 2.225 177.985 175.800 -0.066 0.000 1.101 203 F CA 1.015 58.881 58.000 -0.223 0.000 1.436 203 F CB -0.712 38.204 39.000 -0.141 0.000 1.074 203 F HN 0.253 nan 8.300 nan 0.000 0.553 204 V N -3.810 116.150 119.914 0.077 0.000 3.647 204 V HA 0.150 4.269 4.120 -0.001 0.000 0.279 204 V C 0.931 177.067 176.094 0.070 0.000 1.314 204 V CA -0.727 61.620 62.300 0.077 0.000 1.125 204 V CB -1.449 30.388 31.823 0.024 0.000 0.907 204 V HN 0.077 nan 8.190 nan 0.000 0.434 205 C N 1.260 120.569 119.300 0.015 0.000 2.470 205 C HA 0.343 4.802 4.460 -0.001 0.000 0.350 205 C C 0.520 175.514 174.990 0.006 0.000 1.341 205 C CA -0.355 58.660 59.018 -0.004 0.000 2.440 205 C CB 0.239 27.884 27.740 -0.159 0.000 2.295 205 C HN 0.505 nan 8.230 nan 0.000 0.645 206 D N 2.326 122.738 120.400 0.020 0.000 2.398 206 D HA 0.265 4.905 4.640 -0.001 0.000 0.250 206 D C -0.139 176.178 176.300 0.029 0.000 1.287 206 D CA 0.727 54.747 54.000 0.033 0.000 0.992 206 D CB -0.006 40.800 40.800 0.010 0.000 1.071 206 D HN 0.316 nan 8.370 nan 0.000 0.514 207 L N 1.397 122.646 121.223 0.043 0.000 2.334 207 L HA 0.422 4.761 4.340 -0.001 0.000 0.270 207 L C 0.931 177.974 176.870 0.287 0.000 1.018 207 L CA -0.957 53.904 54.840 0.035 0.000 0.811 207 L CB 1.468 43.413 42.059 -0.191 0.000 1.271 207 L HN 0.107 nan 8.230 nan 0.000 0.443 208 E N 0.040 120.581 120.200 0.568 0.000 2.243 208 E HA 0.204 4.554 4.350 -0.001 0.000 0.260 208 E C -0.118 176.646 176.600 0.273 0.000 0.985 208 E CA -0.766 55.816 56.400 0.303 0.000 0.858 208 E CB 1.597 31.388 29.700 0.151 0.000 1.210 208 E HN 0.288 nan 8.360 nan 0.000 0.411 209 K N 1.027 121.533 120.400 0.176 0.000 2.103 209 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 209 K C 1.714 178.385 176.600 0.118 0.000 1.048 209 K CA 1.767 58.152 56.287 0.163 0.000 0.930 209 K CB -0.417 32.129 32.500 0.077 0.000 0.716 209 K HN 0.558 nan 8.250 nan 0.000 0.444 210 A N -0.509 122.324 122.820 0.021 0.000 1.969 210 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 210 A C 1.733 179.273 177.584 -0.073 0.000 1.169 210 A CA 1.692 53.701 52.037 -0.047 0.000 0.635 210 A CB -0.785 18.151 19.000 -0.108 0.000 0.810 210 A HN 0.529 nan 8.150 nan 0.000 0.445 211 H N -2.321 116.745 119.070 -0.007 0.000 2.321 211 H HA -0.186 4.369 4.556 -0.001 0.000 0.300 211 H C 1.809 176.936 175.328 -0.336 0.000 1.087 211 H CA 2.151 58.114 56.048 -0.142 0.000 1.319 211 H CB -0.216 29.400 29.762 -0.243 0.000 1.379 211 H HN 0.713 nan 8.280 nan 0.000 0.501 212 W N 1.346 122.594 121.300 -0.086 0.000 2.374 212 W HA -0.151 4.509 4.660 -0.001 0.000 0.288 212 W C 1.797 178.227 176.519 -0.147 0.000 1.218 212 W CA 0.708 57.924 57.345 -0.215 0.000 1.245 212 W CB 0.046 29.376 29.460 -0.216 0.000 1.126 212 W HN 0.222 nan 8.180 nan 0.000 0.545 213 D N 0.184 120.651 120.400 0.112 0.000 2.104 213 D HA -0.176 4.464 4.640 -0.001 0.000 0.194 213 D C 2.215 178.540 176.300 0.042 0.000 0.994 213 D CA 1.416 55.452 54.000 0.061 0.000 0.830 213 D CB -0.814 40.009 40.800 0.039 0.000 0.959 213 D HN 0.185 nan 8.370 nan 0.000 0.452 214 L N 0.415 121.655 121.223 0.029 0.000 2.056 214 L HA -0.109 4.231 4.340 -0.001 0.000 0.207 214 L C 2.581 179.474 176.870 0.039 0.000 1.078 214 L CA 0.686 55.557 54.840 0.050 0.000 0.749 214 L CB -0.355 41.766 42.059 0.103 0.000 0.901 214 L HN 0.001 nan 8.230 nan 0.000 0.433 215 I N -0.535 119.996 120.570 -0.064 0.000 2.286 215 I HA -0.308 3.861 4.170 -0.001 0.000 0.248 215 I C 2.489 178.682 176.117 0.126 0.000 1.115 215 I CA 1.023 62.286 61.300 -0.061 0.000 1.392 215 I CB -0.188 37.509 38.000 -0.506 0.000 1.065 215 I HN 0.185 nan 8.210 nan 0.000 0.418 216 L N 0.987 122.267 121.223 0.094 0.000 2.012 216 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 216 L C 2.216 179.149 176.870 0.106 0.000 1.073 216 L CA 1.894 56.798 54.840 0.107 0.000 0.748 216 L CB -0.753 41.344 42.059 0.064 0.000 0.891 216 L HN 0.256 nan 8.230 nan 0.000 0.431 217 N N -1.000 117.744 118.700 0.075 0.000 2.120 217 N HA -0.145 4.595 4.740 -0.001 0.000 0.188 217 N C 1.907 177.444 175.510 0.045 0.000 1.024 217 N CA 1.510 54.594 53.050 0.056 0.000 0.852 217 N CB -0.613 37.901 38.487 0.045 0.000 1.003 217 N HN 0.180 nan 8.380 nan 0.000 0.424 218 V N 0.497 120.432 119.914 0.034 0.000 2.255 218 V HA -0.253 3.867 4.120 -0.001 0.000 0.247 218 V C 1.709 177.710 176.094 -0.154 0.000 1.051 218 V CA 1.584 63.836 62.300 -0.081 0.000 1.018 218 V CB -0.712 31.028 31.823 -0.138 0.000 0.641 218 V HN 0.275 nan 8.190 nan 0.000 0.445 219 Y N -0.275 120.055 120.300 0.051 0.000 2.457 219 Y HA -0.023 4.527 4.550 -0.001 0.000 0.292 219 Y C 2.601 178.536 175.900 0.058 0.000 1.125 219 Y CA 0.848 58.987 58.100 0.066 0.000 1.254 219 Y CB -0.273 38.225 38.460 0.063 0.000 1.012 219 Y HN 0.084 nan 8.280 nan 0.000 0.555 220 R N 0.177 120.760 120.500 0.139 0.000 2.081 220 R HA -0.186 4.154 4.340 -0.001 0.000 0.235 220 R C 2.445 178.782 176.300 0.062 0.000 1.131 220 R CA 1.625 57.773 56.100 0.081 0.000 0.960 220 R CB -0.422 29.910 30.300 0.054 0.000 0.856 220 R HN 0.458 nan 8.270 nan 0.000 0.436 221 E N 0.791 121.022 120.200 0.051 0.000 2.338 221 E HA -0.065 4.285 4.350 -0.001 0.000 0.197 221 E C 1.610 178.282 176.600 0.119 0.000 1.007 221 E CA 0.918 57.352 56.400 0.057 0.000 0.849 221 E CB -0.310 29.411 29.700 0.036 0.000 0.774 221 E HN 0.334 nan 8.360 nan 0.000 0.506 222 L N 0.206 121.517 121.223 0.145 0.000 2.906 222 L HA 0.124 4.463 4.340 -0.001 0.000 0.255 222 L C 2.273 179.311 176.870 0.280 0.000 1.166 222 L CA 0.703 55.749 54.840 0.343 0.000 0.977 222 L CB 0.677 42.913 42.059 0.295 0.000 1.313 222 L HN 0.328 nan 8.230 nan 0.000 0.549 223 S N -0.272 115.500 115.700 0.120 0.000 2.507 223 S HA -0.155 4.315 4.470 -0.001 0.000 0.235 223 S C 1.597 176.169 174.600 -0.046 0.000 0.988 223 S CA 0.928 59.166 58.200 0.064 0.000 0.944 223 S CB -0.214 63.009 63.200 0.039 0.000 0.762 223 S HN 0.614 nan 8.310 nan 0.000 0.526 224 E N 0.491 120.561 120.200 -0.217 0.000 2.481 224 E HA 0.085 4.434 4.350 -0.001 0.000 0.195 224 E C -0.390 175.946 176.600 -0.440 0.000 1.047 224 E CA -0.129 56.044 56.400 -0.379 0.000 0.867 224 E CB -0.284 29.103 29.700 -0.521 0.000 0.858 224 E HN 0.621 nan 8.360 nan 0.000 0.513 225 F N 1.798 121.766 119.950 0.030 0.000 2.432 225 F HA 0.360 4.887 4.527 -0.001 0.000 0.329 225 F C -1.911 173.848 175.800 -0.069 0.000 1.076 225 F CA -3.098 54.887 58.000 -0.025 0.000 1.018 225 F CB 1.068 40.047 39.000 -0.035 0.000 1.201 225 F HN -0.220 nan 8.300 nan 0.000 0.489 226 P HA 0.195 nan 4.420 nan 0.000 0.225 226 P C -0.933 176.347 177.300 -0.033 0.000 1.813 226 P CA 0.223 63.333 63.100 0.016 0.000 1.013 226 P CB -0.249 31.456 31.700 0.009 0.000 1.961 227 L N 0.872 122.080 121.223 -0.025 0.000 2.325 227 L HA 0.477 4.816 4.340 -0.001 0.000 0.279 227 L C 0.515 177.361 176.870 -0.040 0.000 1.054 227 L CA -0.222 54.581 54.840 -0.061 0.000 0.804 227 L CB 1.187 43.241 42.059 -0.007 0.000 1.200 227 L HN 0.001 nan 8.230 nan 0.000 0.436 228 T N 2.048 116.576 114.554 -0.043 0.000 2.786 228 T HA 0.407 4.757 4.350 -0.001 0.000 0.283 228 T C -0.205 174.370 174.700 -0.208 0.000 0.992 228 T CA -0.393 61.622 62.100 -0.142 0.000 0.954 228 T CB 1.790 70.591 68.868 -0.112 0.000 0.934 228 T HN 0.176 nan 8.240 nan 0.000 0.440 229 V N 4.724 124.430 119.914 -0.345 0.000 2.407 229 V HA 0.509 4.629 4.120 -0.001 0.000 0.278 229 V C -0.693 175.080 176.094 -0.535 0.000 1.037 229 V CA -0.610 61.492 62.300 -0.330 0.000 0.900 229 V CB 0.512 32.132 31.823 -0.337 0.000 0.983 229 V HN 0.731 nan 8.190 nan 0.000 0.459 230 F N 2.631 122.326 119.950 -0.426 0.000 2.480 230 F HA 0.690 5.217 4.527 -0.001 0.000 0.329 230 F C 0.547 176.061 175.800 -0.476 0.000 1.091 230 F CA -0.548 57.185 58.000 -0.445 0.000 0.972 230 F CB 2.182 40.754 39.000 -0.714 0.000 1.150 230 F HN 0.506 nan 8.300 nan 0.000 0.467 231 T N 0.546 115.035 114.554 -0.107 0.000 2.893 231 T HA 0.814 5.164 4.350 -0.001 0.000 0.293 231 T C -1.350 173.267 174.700 -0.139 0.000 1.027 231 T CA -0.677 61.200 62.100 -0.373 0.000 0.988 231 T CB 1.683 70.398 68.868 -0.255 0.000 1.043 231 T HN 0.591 nan 8.240 nan 0.000 0.461 232 Y N -0.523 119.665 120.300 -0.186 0.000 2.713 232 Y HA 0.598 5.147 4.550 -0.001 0.000 0.335 232 Y C 0.362 176.071 175.900 -0.318 0.000 1.222 232 Y CA -1.998 55.974 58.100 -0.214 0.000 1.061 232 Y CB 0.485 38.805 38.460 -0.234 0.000 1.314 232 Y HN 0.755 nan 8.280 nan 0.000 0.453 233 Y N -2.179 118.249 120.300 0.213 0.000 4.155 233 Y HA -0.273 4.276 4.550 -0.001 0.000 0.343 233 Y C 0.172 176.107 175.900 0.060 0.000 1.208 233 Y CA 1.005 59.162 58.100 0.095 0.000 1.650 233 Y CB -0.974 37.482 38.460 -0.007 0.000 0.811 233 Y HN 0.798 nan 8.280 nan 0.000 0.393 234 D N -0.600 119.907 120.400 0.178 0.000 2.851 234 D HA 0.371 5.010 4.640 -0.001 0.000 0.339 234 D C -0.852 175.511 176.300 0.104 0.000 1.347 234 D CA 0.420 54.501 54.000 0.134 0.000 0.888 234 D CB 0.994 41.871 40.800 0.129 0.000 1.431 234 D HN -0.024 nan 8.370 nan 0.000 0.509 235 S N -0.630 115.131 115.700 0.103 0.000 2.652 235 S HA 0.580 5.049 4.470 -0.001 0.000 0.270 235 S C -0.016 174.673 174.600 0.148 0.000 1.243 235 S CA -0.635 57.631 58.200 0.110 0.000 0.999 235 S CB 1.195 64.448 63.200 0.088 0.000 0.973 235 S HN 0.233 nan 8.310 nan 0.000 0.544 236 V N 2.977 123.019 119.914 0.213 0.000 2.368 236 V HA 0.186 4.306 4.120 -0.001 0.000 0.266 236 V C 1.201 177.403 176.094 0.180 0.000 1.045 236 V CA -0.293 62.155 62.300 0.246 0.000 0.899 236 V CB 0.208 32.239 31.823 0.346 0.000 1.006 236 V HN 1.064 nan 8.190 nan 0.000 0.470 237 S N 2.659 118.455 115.700 0.160 0.000 2.353 237 S HA -0.157 4.313 4.470 -0.001 0.000 0.222 237 S C 1.201 175.821 174.600 0.035 0.000 1.035 237 S CA 1.464 59.727 58.200 0.105 0.000 1.025 237 S CB -0.125 63.145 63.200 0.117 0.000 0.902 237 S HN 0.912 nan 8.310 nan 0.000 0.440 238 D N 0.164 120.538 120.400 -0.045 0.000 2.558 238 D HA 0.099 4.738 4.640 -0.001 0.000 0.221 238 D C 0.530 176.551 176.300 -0.466 0.000 1.143 238 D CA -0.311 53.493 54.000 -0.326 0.000 1.010 238 D CB -0.155 40.258 40.800 -0.645 0.000 1.068 238 D HN 0.339 nan 8.370 nan 0.000 0.511 239 Y N 2.656 122.751 120.300 -0.342 0.000 2.128 239 Y HA -0.219 4.330 4.550 -0.001 0.000 0.284 239 Y C 1.713 177.371 175.900 -0.402 0.000 1.154 239 Y CA 1.876 59.800 58.100 -0.292 0.000 1.149 239 Y CB 0.311 38.641 38.460 -0.217 0.000 0.976 239 Y HN 0.297 nan 8.280 nan 0.000 0.505 240 E N -0.054 119.886 120.200 -0.433 0.000 2.077 240 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 240 E C 2.359 178.631 176.600 -0.546 0.000 0.989 240 E CA 0.986 57.092 56.400 -0.489 0.000 0.800 240 E CB -0.340 29.097 29.700 -0.438 0.000 0.746 240 E HN 0.597 nan 8.360 nan 0.000 0.452 241 A N 0.684 123.095 122.820 -0.682 0.000 1.930 241 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 241 A C 2.366 179.442 177.584 -0.846 0.000 1.175 241 A CA 1.226 52.802 52.037 -0.768 0.000 0.627 241 A CB -1.004 17.345 19.000 -1.084 0.000 0.815 241 A HN 0.460 nan 8.150 nan 0.000 0.443 242 C N -0.225 118.439 119.300 -1.061 0.000 2.436 242 C HA -0.069 4.390 4.460 -0.001 0.000 0.277 242 C C 2.715 177.441 174.990 -0.440 0.000 1.241 242 C CA 1.544 60.120 59.018 -0.735 0.000 1.721 242 C CB -1.251 26.194 27.740 -0.492 0.000 2.043 242 C HN 0.728 nan 8.230 nan 0.000 0.472 243 V N -0.425 119.180 119.914 -0.516 0.000 3.444 243 V HA 0.066 4.185 4.120 -0.001 0.000 0.271 243 V C 1.818 177.674 176.094 -0.397 0.000 1.188 243 V CA 2.096 64.118 62.300 -0.463 0.000 1.168 243 V CB -0.827 30.601 31.823 -0.657 0.000 0.810 243 V HN 0.514 nan 8.190 nan 0.000 0.500 244 S N 0.305 115.790 115.700 -0.358 0.000 2.528 244 S HA 0.368 4.838 4.470 -0.001 0.000 0.219 244 S C 0.855 175.340 174.600 -0.191 0.000 0.985 244 S CA -0.189 57.855 58.200 -0.259 0.000 0.914 244 S CB -0.353 62.702 63.200 -0.242 0.000 0.776 244 S HN 0.546 nan 8.310 nan 0.000 0.526 245 L N 2.805 123.910 121.223 -0.197 0.000 2.543 245 L HA 0.058 4.398 4.340 -0.001 0.000 0.285 245 L C -2.197 174.616 176.870 -0.095 0.000 1.236 245 L CA -0.950 53.814 54.840 -0.127 0.000 0.871 245 L CB -0.148 41.802 42.059 -0.182 0.000 1.121 245 L HN -0.017 nan 8.230 nan 0.000 0.501 246 P HA 0.067 nan 4.420 nan 0.000 0.225 246 P C -0.605 176.703 177.300 0.013 0.000 1.768 246 P CA 0.069 63.167 63.100 -0.003 0.000 0.943 246 P CB -0.153 31.570 31.700 0.039 0.000 1.936 247 V N -3.222 116.669 119.914 -0.039 0.000 2.960 247 V HA 0.807 4.926 4.120 -0.001 0.000 0.315 247 V C 1.065 177.134 176.094 -0.041 0.000 1.087 247 V CA -0.594 61.687 62.300 -0.031 0.000 0.982 247 V CB 1.496 33.269 31.823 -0.084 0.000 1.039 247 V HN -0.078 nan 8.190 nan 0.000 0.437 248 K N 1.568 121.956 120.400 -0.020 0.000 2.323 248 K HA 0.429 4.748 4.320 -0.001 0.000 0.197 248 K C 1.045 177.652 176.600 0.012 0.000 1.043 248 K CA 0.778 57.063 56.287 -0.003 0.000 0.997 248 K CB -0.054 32.452 32.500 0.010 0.000 0.807 248 K HN 0.839 nan 8.250 nan 0.000 0.497 249 R N -0.798 119.688 120.500 -0.025 0.000 2.574 249 R HA 0.633 4.973 4.340 -0.001 0.000 0.288 249 R C -1.888 174.327 176.300 -0.142 0.000 1.004 249 R CA -0.845 55.228 56.100 -0.046 0.000 0.895 249 R CB 1.811 32.069 30.300 -0.070 0.000 1.191 249 R HN 0.181 nan 8.270 nan 0.000 0.444 250 L N 2.759 123.931 121.223 -0.086 0.000 2.409 250 L HA 0.379 4.718 4.340 -0.001 0.000 0.272 250 L C -1.052 175.658 176.870 -0.267 0.000 0.980 250 L CA -0.522 54.199 54.840 -0.198 0.000 0.826 250 L CB 1.398 43.438 42.059 -0.031 0.000 1.268 250 L HN 0.634 nan 8.230 nan 0.000 0.407 251 H N 4.675 123.353 119.070 -0.653 0.000 2.473 251 H HA 0.454 5.010 4.556 -0.001 0.000 0.327 251 H C -1.733 173.263 175.328 -0.553 0.000 1.105 251 H CA -0.287 55.434 56.048 -0.546 0.000 1.280 251 H CB 0.969 30.219 29.762 -0.854 0.000 1.450 251 H HN 0.510 nan 8.280 nan 0.000 0.492 252 F N 1.959 121.492 119.950 -0.695 0.000 2.546 252 F HA 0.124 4.651 4.527 -0.001 0.000 0.320 252 F C 0.321 175.529 175.800 -0.987 0.000 1.076 252 F CA -0.973 56.581 58.000 -0.744 0.000 0.928 252 F CB 1.501 39.967 39.000 -0.890 0.000 1.189 252 F HN 0.496 nan 8.300 nan 0.000 0.465 253 D N 1.945 122.142 120.400 -0.340 0.000 2.336 253 D HA 0.126 4.765 4.640 -0.001 0.000 0.249 253 D C -0.303 175.843 176.300 -0.258 0.000 1.213 253 D CA 0.093 54.014 54.000 -0.131 0.000 0.870 253 D CB 0.177 41.045 40.800 0.114 0.000 1.076 253 D HN 0.300 nan 8.370 nan 0.000 0.483 254 F N 2.855 122.842 119.950 0.062 0.000 2.639 254 F HA 0.132 4.658 4.527 -0.001 0.000 0.300 254 F C 1.542 177.371 175.800 0.048 0.000 1.109 254 F CA -0.291 57.733 58.000 0.040 0.000 1.335 254 F CB 0.542 39.543 39.000 0.002 0.000 1.014 254 F HN 0.274 nan 8.300 nan 0.000 0.537 255 V N -1.410 118.613 119.914 0.182 0.000 3.013 255 V HA -0.061 4.059 4.120 -0.001 0.000 0.238 255 V C 2.003 178.173 176.094 0.127 0.000 1.161 255 V CA 1.342 63.730 62.300 0.147 0.000 1.170 255 V CB 0.188 32.090 31.823 0.130 0.000 0.917 255 V HN 0.353 nan 8.190 nan 0.000 0.478 256 S N 1.406 117.183 115.700 0.129 0.000 2.603 256 S HA 0.097 4.567 4.470 -0.001 0.000 0.220 256 S C 0.436 175.108 174.600 0.120 0.000 0.967 256 S CA 0.406 58.685 58.200 0.132 0.000 0.920 256 S CB -0.604 62.693 63.200 0.162 0.000 0.773 256 S HN 0.860 nan 8.310 nan 0.000 0.529 257 N N -2.114 116.652 118.700 0.110 0.000 2.823 257 N HA 0.591 5.331 4.740 -0.001 0.000 0.251 257 N C -0.078 175.489 175.510 0.095 0.000 1.392 257 N CA -0.315 52.794 53.050 0.098 0.000 0.864 257 N CB 0.528 39.069 38.487 0.091 0.000 1.481 257 N HN -0.067 nan 8.380 nan 0.000 0.508 258 E N -0.421 119.827 120.200 0.079 0.000 2.431 258 E HA 0.130 4.479 4.350 -0.001 0.000 0.200 258 E C 0.947 177.579 176.600 0.053 0.000 0.995 258 E CA 0.479 56.921 56.400 0.069 0.000 0.915 258 E CB -0.558 29.172 29.700 0.050 0.000 0.930 258 E HN 0.726 nan 8.360 nan 0.000 0.496 259 E N 1.140 121.368 120.200 0.046 0.000 2.107 259 E HA -0.090 4.260 4.350 -0.001 0.000 0.191 259 E C 1.890 178.480 176.600 -0.016 0.000 0.982 259 E CA 1.101 57.513 56.400 0.019 0.000 0.809 259 E CB -0.001 29.720 29.700 0.034 0.000 0.756 259 E HN 0.382 nan 8.360 nan 0.000 0.459 260 N N 0.406 119.106 118.700 -0.001 0.000 2.043 260 N HA -0.155 4.584 4.740 -0.001 0.000 0.193 260 N C 1.685 177.206 175.510 0.018 0.000 1.037 260 N CA 0.815 53.820 53.050 -0.075 0.000 0.851 260 N CB -0.423 37.921 38.487 -0.238 0.000 1.027 260 N HN 0.130 nan 8.380 nan 0.000 0.422 261 L N 1.771 123.110 121.223 0.194 0.000 1.994 261 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 261 L C 2.199 179.036 176.870 -0.055 0.000 1.071 261 L CA 1.890 56.797 54.840 0.112 0.000 0.745 261 L CB -0.893 41.212 42.059 0.076 0.000 0.892 261 L HN 0.104 nan 8.230 nan 0.000 0.431 262 K N -0.600 119.767 120.400 -0.055 0.000 2.044 262 K HA -0.228 4.092 4.320 -0.001 0.000 0.210 262 K C 1.967 178.466 176.600 -0.168 0.000 1.049 262 K CA 1.924 58.156 56.287 -0.092 0.000 0.927 262 K CB -0.241 32.225 32.500 -0.058 0.000 0.713 262 K HN 0.397 nan 8.250 nan 0.000 0.443 263 N N 0.843 119.400 118.700 -0.238 0.000 2.188 263 N HA -0.161 4.579 4.740 -0.001 0.000 0.184 263 N C 1.779 176.881 175.510 -0.680 0.000 1.018 263 N CA 1.135 53.938 53.050 -0.411 0.000 0.858 263 N CB -0.189 37.987 38.487 -0.518 0.000 0.989 263 N HN 0.279 nan 8.380 nan 0.000 0.426 264 L N 1.402 122.249 121.223 -0.626 0.000 2.093 264 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 264 L C 1.893 178.655 176.870 -0.181 0.000 1.085 264 L CA 1.403 56.004 54.840 -0.397 0.000 0.755 264 L CB -0.084 41.891 42.059 -0.140 0.000 0.904 264 L HN 0.124 nan 8.230 nan 0.000 0.435 265 E N -0.312 119.784 120.200 -0.174 0.000 2.106 265 E HA -0.266 4.084 4.350 -0.001 0.000 0.192 265 E C 1.988 178.506 176.600 -0.137 0.000 0.984 265 E CA 1.213 57.538 56.400 -0.124 0.000 0.806 265 E CB 0.004 29.637 29.700 -0.112 0.000 0.750 265 E HN 0.438 nan 8.360 nan 0.000 0.458 266 K N 0.510 120.790 120.400 -0.200 0.000 1.967 266 K HA -0.140 4.179 4.320 -0.001 0.000 0.212 266 K C 1.899 178.329 176.600 -0.285 0.000 1.044 266 K CA 1.327 57.442 56.287 -0.285 0.000 0.942 266 K CB -0.022 32.223 32.500 -0.425 0.000 0.726 266 K HN 0.213 nan 8.250 nan 0.000 0.440 267 H N -0.130 118.875 119.070 -0.107 0.000 2.548 267 H HA 0.133 4.688 4.556 -0.001 0.000 0.265 267 H C 1.052 176.413 175.328 0.055 0.000 0.969 267 H CA 0.653 56.698 56.048 -0.005 0.000 1.155 267 H CB 0.326 30.140 29.762 0.088 0.000 1.394 267 H HN 0.562 nan 8.280 nan 0.000 0.570 268 G N 1.251 110.127 108.800 0.127 0.000 2.750 268 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.228 268 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.228 268 G C -0.856 174.238 174.900 0.324 0.000 1.367 268 G CA -0.093 45.104 45.100 0.161 0.000 0.871 268 G HN 0.355 nan 8.290 nan 0.000 0.560 269 F N 1.157 121.174 119.950 0.112 0.000 2.539 269 F HA 0.635 5.161 4.527 -0.001 0.000 0.318 269 F C -1.968 173.865 175.800 0.055 0.000 1.135 269 F CA -1.901 56.169 58.000 0.117 0.000 0.915 269 F CB 1.836 40.905 39.000 0.115 0.000 1.176 269 F HN 0.482 nan 8.300 nan 0.000 0.440 270 P HA 0.155 nan 4.420 nan 0.000 0.262 270 P C 0.460 177.666 177.300 -0.157 0.000 1.182 270 P CA 0.740 63.635 63.100 -0.342 0.000 0.761 270 P CB 0.652 32.062 31.700 -0.484 0.000 0.795 271 E N 1.436 121.614 120.200 -0.037 0.000 2.268 271 E HA -0.103 4.247 4.350 -0.001 0.000 0.195 271 E C 1.688 178.290 176.600 0.004 0.000 0.995 271 E CA 1.663 58.079 56.400 0.027 0.000 0.836 271 E CB -1.437 28.275 29.700 0.021 0.000 0.763 271 E HN 0.693 nan 8.360 nan 0.000 0.491 272 D N 0.687 121.056 120.400 -0.052 0.000 2.378 272 D HA 0.093 4.732 4.640 -0.001 0.000 0.222 272 D C 1.058 177.338 176.300 -0.034 0.000 0.980 272 D CA 1.215 55.186 54.000 -0.049 0.000 0.907 272 D CB -0.454 40.299 40.800 -0.078 0.000 0.899 272 D HN 0.708 nan 8.370 nan 0.000 0.527 273 K N -3.751 116.639 120.400 -0.015 0.000 2.507 273 K HA 0.712 5.031 4.320 -0.001 0.000 0.284 273 K C -0.775 175.988 176.600 0.271 0.000 1.038 273 K CA -0.779 55.546 56.287 0.063 0.000 0.903 273 K CB 1.370 33.867 32.500 -0.004 0.000 1.531 273 K HN 0.107 nan 8.250 nan 0.000 0.430 274 K N 0.851 121.414 120.400 0.271 0.000 2.207 274 K HA 0.549 4.868 4.320 -0.001 0.000 0.255 274 K C -1.175 175.549 176.600 0.208 0.000 0.941 274 K CA -0.879 55.561 56.287 0.255 0.000 0.825 274 K CB 1.171 33.745 32.500 0.122 0.000 1.119 274 K HN 0.573 nan 8.250 nan 0.000 0.430 275 L N 2.093 123.252 121.223 -0.107 0.000 2.276 275 L HA 0.546 4.886 4.340 -0.001 0.000 0.286 275 L C -0.588 176.204 176.870 -0.130 0.000 1.061 275 L CA -0.580 54.053 54.840 -0.345 0.000 0.807 275 L CB 1.560 43.075 42.059 -0.906 0.000 1.177 275 L HN 0.390 nan 8.230 nan 0.000 0.429 276 V N 5.982 125.836 119.914 -0.100 0.000 2.333 276 V HA 0.579 4.698 4.120 -0.001 0.000 0.274 276 V C 0.560 176.669 176.094 0.026 0.000 1.028 276 V CA -0.429 61.822 62.300 -0.082 0.000 0.851 276 V CB 0.817 32.446 31.823 -0.323 0.000 1.000 276 V HN 0.970 nan 8.190 nan 0.000 0.456 277 A N 4.149 127.032 122.820 0.105 0.000 2.343 277 A HA 0.603 4.923 4.320 -0.001 0.000 0.305 277 A C 0.898 178.625 177.584 0.238 0.000 1.308 277 A CA 0.006 52.175 52.037 0.220 0.000 0.949 277 A CB 0.152 19.189 19.000 0.062 0.000 1.148 277 A HN 1.006 nan 8.150 nan 0.000 0.545 278 G N 1.731 110.636 108.800 0.176 0.000 2.621 278 G HA2 0.412 4.372 3.960 -0.001 0.000 0.306 278 G HA3 0.412 4.372 3.960 -0.001 0.000 0.306 278 G C 0.557 175.615 174.900 0.262 0.000 0.893 278 G CA 0.441 45.680 45.100 0.232 0.000 1.486 278 G HN 1.509 nan 8.290 nan 0.000 0.477 279 V N 0.909 120.951 119.914 0.214 0.000 3.502 279 V HA 0.429 4.548 4.120 -0.001 0.000 0.288 279 V C 0.353 176.511 176.094 0.108 0.000 1.461 279 V CA -0.173 62.223 62.300 0.160 0.000 1.029 279 V CB 0.042 31.929 31.823 0.107 0.000 0.843 279 V HN 0.408 nan 8.190 nan 0.000 0.438 280 I N 3.038 123.666 120.570 0.096 0.000 2.312 280 I HA 0.441 4.611 4.170 -0.001 0.000 0.290 280 I C -0.013 176.121 176.117 0.029 0.000 1.008 280 I CA -0.255 61.077 61.300 0.052 0.000 1.226 280 I CB 0.947 38.966 38.000 0.032 0.000 1.371 280 I HN 0.181 nan 8.210 nan 0.000 0.468 281 N N 4.512 123.231 118.700 0.030 0.000 2.447 281 N HA 0.041 4.780 4.740 -0.001 0.000 0.263 281 N C 1.126 176.614 175.510 -0.037 0.000 1.226 281 N CA 0.384 53.447 53.050 0.021 0.000 0.906 281 N CB 1.299 39.813 38.487 0.045 0.000 1.060 281 N HN 0.793 nan 8.380 nan 0.000 0.468 282 G N 2.949 111.715 108.800 -0.056 0.000 2.939 282 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.210 282 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.210 282 G C 1.191 176.080 174.900 -0.019 0.000 1.160 282 G CA 0.032 45.064 45.100 -0.112 0.000 0.770 282 G HN 0.580 nan 8.290 nan 0.000 0.543 283 R N -1.047 119.465 120.500 0.020 0.000 2.344 283 R HA 0.235 4.574 4.340 -0.001 0.000 0.209 283 R C 0.022 176.340 176.300 0.030 0.000 0.886 283 R CA 0.094 56.236 56.100 0.071 0.000 1.040 283 R CB 0.485 30.821 30.300 0.061 0.000 1.114 283 R HN 0.210 nan 8.270 nan 0.000 0.547 284 Q N 0.602 120.352 119.800 -0.085 0.000 2.413 284 Q HA 0.292 4.632 4.340 -0.001 0.000 0.276 284 Q C -2.341 173.399 176.000 -0.433 0.000 1.099 284 Q CA -1.919 53.739 55.803 -0.241 0.000 0.814 284 Q CB 2.502 31.227 28.738 -0.021 0.000 1.379 284 Q HN -0.097 nan 8.270 nan 0.000 0.436 285 P HA 0.158 nan 4.420 nan 0.000 0.254 285 P C -0.862 176.123 177.300 -0.525 0.000 1.620 285 P CA -0.089 62.618 63.100 -0.655 0.000 1.050 285 P CB -0.139 31.070 31.700 -0.818 0.000 1.539 286 W N 1.123 122.380 121.300 -0.071 0.000 2.351 286 W HA 0.516 5.175 4.660 -0.001 0.000 0.311 286 W C 1.000 177.493 176.519 -0.044 0.000 1.168 286 W CA -0.982 56.338 57.345 -0.042 0.000 1.200 286 W CB 0.600 30.044 29.460 -0.027 0.000 1.221 286 W HN -0.177 nan 8.180 nan 0.000 0.519 287 K N 2.624 123.140 120.400 0.194 0.000 2.436 287 K HA 0.426 4.745 4.320 -0.001 0.000 0.275 287 K C -0.213 176.445 176.600 0.097 0.000 0.999 287 K CA -0.257 56.084 56.287 0.091 0.000 0.980 287 K CB -0.255 32.274 32.500 0.049 0.000 0.919 287 K HN 0.662 nan 8.250 nan 0.000 0.484 288 V N -1.102 118.840 119.914 0.048 0.000 2.994 288 V HA 0.529 4.648 4.120 -0.001 0.000 0.318 288 V C -0.068 176.018 176.094 -0.013 0.000 1.085 288 V CA -1.165 61.151 62.300 0.026 0.000 0.998 288 V CB 1.976 33.814 31.823 0.024 0.000 1.063 288 V HN 0.806 nan 8.190 nan 0.000 0.447 289 D N 1.537 121.920 120.400 -0.028 0.000 2.348 289 D HA 0.192 4.832 4.640 -0.001 0.000 0.259 289 D C 0.966 177.212 176.300 -0.090 0.000 1.296 289 D CA 0.196 54.161 54.000 -0.059 0.000 0.931 289 D CB 0.482 41.250 40.800 -0.054 0.000 1.067 289 D HN 0.599 nan 8.370 nan 0.000 0.503 290 L N 3.222 124.367 121.223 -0.130 0.000 2.201 290 L HA -0.154 4.186 4.340 -0.001 0.000 0.212 290 L C 2.882 179.580 176.870 -0.286 0.000 1.105 290 L CA 1.212 55.942 54.840 -0.184 0.000 0.775 290 L CB -0.549 41.386 42.059 -0.207 0.000 0.913 290 L HN 0.458 nan 8.230 nan 0.000 0.440 291 R N 0.946 121.256 120.500 -0.317 0.000 2.081 291 R HA -0.157 4.182 4.340 -0.001 0.000 0.235 291 R C 2.507 178.725 176.300 -0.136 0.000 1.131 291 R CA 1.975 57.889 56.100 -0.310 0.000 0.960 291 R CB -1.472 28.700 30.300 -0.213 0.000 0.856 291 R HN 0.460 nan 8.270 nan 0.000 0.436 292 K N 0.337 120.678 120.400 -0.098 0.000 2.026 292 K HA 0.070 4.390 4.320 -0.001 0.000 0.208 292 K C 2.464 179.035 176.600 -0.049 0.000 1.048 292 K CA 1.548 57.801 56.287 -0.056 0.000 0.929 292 K CB -1.114 31.359 32.500 -0.045 0.000 0.713 292 K HN 0.303 nan 8.250 nan 0.000 0.439 293 V N 1.063 120.944 119.914 -0.056 0.000 2.287 293 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 293 V C 2.939 179.018 176.094 -0.026 0.000 1.053 293 V CA 1.979 64.258 62.300 -0.035 0.000 1.027 293 V CB -0.932 30.875 31.823 -0.027 0.000 0.646 293 V HN 0.679 nan 8.190 nan 0.000 0.447 294 A N -0.502 122.300 122.820 -0.030 0.000 1.908 294 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 294 A C 2.496 180.109 177.584 0.048 0.000 1.181 294 A CA 2.327 54.394 52.037 0.049 0.000 0.627 294 A CB -0.725 18.354 19.000 0.132 0.000 0.818 294 A HN 0.500 nan 8.150 nan 0.000 0.445 295 S N -0.650 115.062 115.700 0.021 0.000 2.368 295 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 295 S C 1.870 176.452 174.600 -0.031 0.000 1.030 295 S CA 1.380 59.584 58.200 0.008 0.000 0.999 295 S CB -0.426 62.773 63.200 -0.000 0.000 0.844 295 S HN 0.533 nan 8.310 nan 0.000 0.459 296 L N 2.099 123.291 121.223 -0.050 0.000 2.012 296 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 296 L C 2.165 178.955 176.870 -0.132 0.000 1.073 296 L CA 1.689 56.470 54.840 -0.098 0.000 0.748 296 L CB -0.967 41.035 42.059 -0.095 0.000 0.891 296 L HN 0.139 nan 8.230 nan 0.000 0.431 297 V N 0.389 120.250 119.914 -0.088 0.000 2.332 297 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 297 V C 3.054 179.097 176.094 -0.086 0.000 1.055 297 V CA 2.278 64.525 62.300 -0.089 0.000 1.038 297 V CB -1.543 30.268 31.823 -0.020 0.000 0.651 297 V HN 0.713 nan 8.190 nan 0.000 0.450 298 E N 0.417 120.588 120.200 -0.047 0.000 2.077 298 E HA -0.285 4.064 4.350 -0.001 0.000 0.193 298 E C 2.335 178.894 176.600 -0.068 0.000 0.989 298 E CA 2.228 58.604 56.400 -0.040 0.000 0.800 298 E CB -0.910 28.785 29.700 -0.009 0.000 0.746 298 E HN 0.719 nan 8.360 nan 0.000 0.452 299 K N 0.472 120.821 120.400 -0.085 0.000 2.152 299 K HA 0.126 4.446 4.320 -0.001 0.000 0.206 299 K C 2.291 178.806 176.600 -0.142 0.000 1.048 299 K CA 1.451 57.677 56.287 -0.102 0.000 0.933 299 K CB -0.815 31.621 32.500 -0.107 0.000 0.721 299 K HN 0.467 nan 8.250 nan 0.000 0.447 300 L N -0.998 120.104 121.223 -0.202 0.000 2.395 300 L HA 0.158 4.498 4.340 -0.001 0.000 0.218 300 L C 1.843 178.601 176.870 -0.188 0.000 1.130 300 L CA 0.611 55.289 54.840 -0.269 0.000 0.826 300 L CB -0.149 41.644 42.059 -0.443 0.000 0.941 300 L HN 0.609 nan 8.230 nan 0.000 0.451 301 G N 0.546 109.269 108.800 -0.129 0.000 2.198 301 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 301 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 301 G C 0.304 175.147 174.900 -0.095 0.000 1.025 301 G CA 0.165 45.214 45.100 -0.085 0.000 0.769 301 G HN 0.519 nan 8.290 nan 0.000 0.507 302 A N -0.798 121.953 122.820 -0.115 0.000 2.354 302 A HA 0.868 5.188 4.320 -0.001 0.000 0.269 302 A C 1.331 178.895 177.584 -0.033 0.000 1.109 302 A CA 1.144 53.121 52.037 -0.100 0.000 0.800 302 A CB 0.929 19.866 19.000 -0.105 0.000 1.045 302 A HN 1.689 nan 8.150 nan 0.000 0.489 303 S N 0.170 115.866 115.700 -0.006 0.000 2.540 303 S HA 0.596 5.065 4.470 -0.001 0.000 0.218 303 S C 0.585 175.227 174.600 0.069 0.000 0.977 303 S CA 0.620 58.837 58.200 0.029 0.000 0.918 303 S CB -0.021 63.200 63.200 0.035 0.000 0.806 303 S HN 1.855 nan 8.310 nan 0.000 0.496 304 A N 0.954 123.826 122.820 0.085 0.000 2.515 304 A HA 0.826 5.145 4.320 -0.001 0.000 0.298 304 A C -0.641 177.044 177.584 0.169 0.000 1.059 304 A CA -0.684 51.459 52.037 0.176 0.000 0.698 304 A CB 0.935 20.105 19.000 0.283 0.000 1.289 304 A HN 0.786 nan 8.150 nan 0.000 0.404 305 I N -0.991 119.722 120.570 0.238 0.000 3.002 305 I HA 0.966 5.135 4.170 -0.001 0.000 0.310 305 I C -0.210 176.103 176.117 0.327 0.000 1.087 305 I CA -0.677 60.756 61.300 0.222 0.000 1.017 305 I CB 2.431 40.525 38.000 0.157 0.000 1.226 305 I HN 1.006 nan 8.210 nan 0.000 0.443 306 S N 0.772 116.659 115.700 0.311 0.000 2.656 306 S HA 0.344 4.814 4.470 -0.001 0.000 0.265 306 S C -1.313 173.448 174.600 0.269 0.000 1.132 306 S CA -1.150 57.268 58.200 0.362 0.000 0.819 306 S CB 0.713 64.265 63.200 0.586 0.000 1.119 306 S HN 0.972 nan 8.310 nan 0.000 0.476 307 N N 0.734 119.522 118.700 0.147 0.000 2.415 307 N HA 0.138 4.878 4.740 -0.001 0.000 0.248 307 N C 1.221 176.828 175.510 0.161 0.000 1.271 307 N CA 0.212 53.265 53.050 0.005 0.000 0.913 307 N CB 0.615 38.939 38.487 -0.272 0.000 1.129 307 N HN 0.871 nan 8.380 nan 0.000 0.444 308 S N -0.516 115.255 115.700 0.119 0.000 2.395 308 S HA 0.023 4.493 4.470 -0.001 0.000 0.225 308 S C 1.191 175.937 174.600 0.243 0.000 1.027 308 S CA 0.412 58.763 58.200 0.251 0.000 0.965 308 S CB -0.671 62.624 63.200 0.158 0.000 0.812 308 S HN 0.895 nan 8.310 nan 0.000 0.482 309 C N -1.376 117.862 119.300 -0.104 0.000 3.236 309 C HA 0.770 5.229 4.460 -0.001 0.000 0.312 309 C C -3.298 171.257 174.990 -0.726 0.000 1.374 309 C CA -2.769 55.989 59.018 -0.433 0.000 1.455 309 C CB 0.671 28.300 27.740 -0.183 0.000 1.834 309 C HN 0.094 nan 8.230 nan 0.000 0.460 310 P HA 0.097 nan 4.420 nan 0.000 0.263 310 P C 0.734 177.461 177.300 -0.955 0.000 1.175 310 P CA 0.449 62.854 63.100 -1.158 0.000 0.761 310 P CB 0.293 30.990 31.700 -1.672 0.000 0.794 311 L N 2.738 123.447 121.223 -0.857 0.000 2.456 311 L HA -0.087 4.252 4.340 -0.001 0.000 0.224 311 L C 1.774 178.357 176.870 -0.477 0.000 1.148 311 L CA 0.936 55.456 54.840 -0.535 0.000 0.825 311 L CB -0.806 41.019 42.059 -0.390 0.000 0.937 311 L HN 0.466 nan 8.230 nan 0.000 0.450 312 F N -2.950 116.733 119.950 -0.446 0.000 2.771 312 F HA -0.022 4.504 4.527 -0.001 0.000 0.299 312 F C 2.027 177.613 175.800 -0.356 0.000 1.177 312 F CA 0.180 57.913 58.000 -0.445 0.000 1.450 312 F CB -0.768 37.942 39.000 -0.483 0.000 1.114 312 F HN 0.129 nan 8.300 nan 0.000 0.587 313 H N 1.249 120.381 119.070 0.103 0.000 2.551 313 H HA 0.321 4.877 4.556 -0.001 0.000 0.266 313 H C 0.588 175.972 175.328 0.092 0.000 0.977 313 H CA 0.273 56.429 56.048 0.179 0.000 1.163 313 H CB 0.064 29.929 29.762 0.172 0.000 1.381 313 H HN 0.345 nan 8.280 nan 0.000 0.581 314 L N 0.966 122.189 121.223 -0.000 0.000 2.332 314 L HA 0.369 4.708 4.340 -0.001 0.000 0.269 314 L C -2.137 174.582 176.870 -0.251 0.000 1.016 314 L CA -2.166 52.574 54.840 -0.167 0.000 0.809 314 L CB 1.572 43.469 42.059 -0.269 0.000 1.280 314 L HN -0.136 nan 8.230 nan 0.000 0.447 315 P HA 0.094 nan 4.420 nan 0.000 0.274 315 P C 0.683 177.849 177.300 -0.223 0.000 1.256 315 P CA -0.502 62.377 63.100 -0.368 0.000 0.795 315 P CB 0.749 32.052 31.700 -0.661 0.000 1.038 316 V N -1.079 118.774 119.914 -0.100 0.000 2.270 316 V HA -0.084 4.036 4.120 -0.001 0.000 0.245 316 V C 1.249 177.396 176.094 0.088 0.000 1.043 316 V CA 2.236 64.485 62.300 -0.085 0.000 1.014 316 V CB -0.703 31.140 31.823 0.033 0.000 0.645 316 V HN 0.700 nan 8.190 nan 0.000 0.447 317 T N -1.937 112.745 114.554 0.212 0.000 2.982 317 T HA 0.393 4.743 4.350 -0.001 0.000 0.321 317 T C -0.310 174.506 174.700 0.192 0.000 1.229 317 T CA -0.515 61.709 62.100 0.207 0.000 1.044 317 T CB 1.671 70.626 68.868 0.144 0.000 1.184 317 T HN -0.038 nan 8.240 nan 0.000 0.477 318 L N 4.305 125.458 121.223 -0.116 0.000 2.418 318 L HA 0.321 4.660 4.340 -0.001 0.000 0.218 318 L C 2.465 179.210 176.870 -0.209 0.000 1.125 318 L CA 2.554 57.112 54.840 -0.471 0.000 0.835 318 L CB -0.938 40.655 42.059 -0.777 0.000 0.953 318 L HN 0.967 nan 8.230 nan 0.000 0.454 319 E N -0.050 120.094 120.200 -0.094 0.000 2.108 319 E HA -0.262 4.087 4.350 -0.001 0.000 0.203 319 E C 1.676 178.245 176.600 -0.052 0.000 1.022 319 E CA 2.349 58.713 56.400 -0.061 0.000 0.823 319 E CB -1.041 28.651 29.700 -0.013 0.000 0.744 319 E HN 0.452 nan 8.360 nan 0.000 0.456 320 L N 0.991 122.197 121.223 -0.028 0.000 2.700 320 L HA 0.219 4.558 4.340 -0.001 0.000 0.234 320 L C 0.404 177.259 176.870 -0.025 0.000 1.156 320 L CA 0.023 54.853 54.840 -0.017 0.000 0.946 320 L CB 0.734 42.799 42.059 0.009 0.000 1.216 320 L HN 0.138 nan 8.230 nan 0.000 0.493 321 E N 1.202 121.370 120.200 -0.054 0.000 1.802 321 E HA 0.122 4.472 4.350 -0.001 0.000 0.265 321 E C 0.125 176.685 176.600 -0.068 0.000 1.168 321 E CA 0.050 56.415 56.400 -0.057 0.000 1.033 321 E CB 0.011 29.659 29.700 -0.087 0.000 1.095 321 E HN 0.250 nan 8.360 nan 0.000 0.436 322 N N 0.539 119.211 118.700 -0.046 0.000 2.204 322 N HA -0.015 4.725 4.740 -0.001 0.000 0.219 322 N C 0.479 175.965 175.510 -0.040 0.000 1.151 322 N CA 0.089 53.111 53.050 -0.046 0.000 0.867 322 N CB 0.493 38.958 38.487 -0.036 0.000 1.043 322 N HN 0.402 nan 8.380 nan 0.000 0.516 323 N N 0.725 119.401 118.700 -0.039 0.000 2.480 323 N HA 0.293 5.032 4.740 -0.001 0.000 0.281 323 N C -0.046 175.439 175.510 -0.042 0.000 1.381 323 N CA -0.175 52.854 53.050 -0.035 0.000 0.903 323 N CB 0.124 38.596 38.487 -0.026 0.000 1.274 323 N HN -0.004 nan 8.380 nan 0.000 0.505 324 L N 0.166 121.353 121.223 -0.061 0.000 2.379 324 L HA 0.533 4.873 4.340 -0.001 0.000 0.269 324 L C -1.878 174.929 176.870 -0.104 0.000 1.084 324 L CA -1.909 52.880 54.840 -0.086 0.000 0.802 324 L CB 1.137 43.130 42.059 -0.109 0.000 1.175 324 L HN 0.136 nan 8.230 nan 0.000 0.448 325 P HA -0.051 nan 4.420 nan 0.000 0.263 325 P C 0.045 177.266 177.300 -0.132 0.000 1.168 325 P CA -0.003 63.010 63.100 -0.145 0.000 0.759 325 P CB 0.244 31.767 31.700 -0.294 0.000 0.782 326 G N 2.174 110.934 108.800 -0.066 0.000 2.224 326 G HA2 0.264 4.223 3.960 -0.001 0.000 0.239 326 G HA3 0.264 4.223 3.960 -0.001 0.000 0.239 326 G C 1.167 176.037 174.900 -0.050 0.000 1.240 326 G CA 0.226 45.298 45.100 -0.047 0.000 0.896 326 G HN 0.951 nan 8.290 nan 0.000 0.496 327 G N 1.361 110.134 108.800 -0.046 0.000 2.234 327 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 327 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 327 G C 1.198 176.075 174.900 -0.038 0.000 0.987 327 G CA 0.891 45.972 45.100 -0.031 0.000 0.625 327 G HN 1.151 nan 8.290 nan 0.000 0.532 328 L N 1.224 122.393 121.223 -0.089 0.000 2.023 328 L HA 0.330 4.670 4.340 -0.001 0.000 0.205 328 L C 2.624 179.459 176.870 -0.058 0.000 1.073 328 L CA 3.061 57.845 54.840 -0.093 0.000 0.745 328 L CB -0.747 41.160 42.059 -0.253 0.000 0.900 328 L HN 0.340 nan 8.230 nan 0.000 0.435 329 K N -0.356 119.984 120.400 -0.099 0.000 2.127 329 K HA -0.270 4.049 4.320 -0.001 0.000 0.208 329 K C 1.726 178.264 176.600 -0.103 0.000 1.047 329 K CA 2.086 58.296 56.287 -0.129 0.000 0.927 329 K CB -0.056 32.366 32.500 -0.130 0.000 0.716 329 K HN 0.422 nan 8.250 nan 0.000 0.450 330 E N 0.048 120.213 120.200 -0.058 0.000 2.338 330 E HA -0.110 4.240 4.350 -0.001 0.000 0.197 330 E C 1.182 177.780 176.600 -0.004 0.000 1.007 330 E CA 0.986 57.364 56.400 -0.037 0.000 0.849 330 E CB 0.207 29.893 29.700 -0.024 0.000 0.774 330 E HN 0.272 nan 8.360 nan 0.000 0.506 331 K N -0.360 120.065 120.400 0.041 0.000 2.367 331 K HA 0.201 4.520 4.320 -0.001 0.000 0.194 331 K C 0.109 176.816 176.600 0.177 0.000 1.027 331 K CA -0.035 56.335 56.287 0.139 0.000 1.075 331 K CB 0.574 33.213 32.500 0.232 0.000 0.845 331 K HN 0.019 nan 8.250 nan 0.000 0.529 332 L N 0.379 121.605 121.223 0.006 0.000 2.387 332 L HA 0.591 4.931 4.340 -0.001 0.000 0.266 332 L C -0.425 176.329 176.870 -0.193 0.000 1.059 332 L CA -1.019 53.734 54.840 -0.144 0.000 0.801 332 L CB 1.559 43.425 42.059 -0.320 0.000 1.223 332 L HN -0.072 nan 8.230 nan 0.000 0.456 333 A N 1.071 123.762 122.820 -0.216 0.000 2.500 333 A HA 0.639 4.958 4.320 -0.001 0.000 0.291 333 A C -1.189 176.408 177.584 0.021 0.000 1.048 333 A CA -0.521 51.422 52.037 -0.156 0.000 0.791 333 A CB 0.632 19.590 19.000 -0.069 0.000 1.309 333 A HN 0.343 nan 8.150 nan 0.000 0.397 334 F N 1.185 121.030 119.950 -0.176 0.000 2.355 334 F HA 0.703 5.230 4.527 -0.001 0.000 0.340 334 F C 2.015 177.722 175.800 -0.155 0.000 1.067 334 F CA -0.459 57.422 58.000 -0.199 0.000 1.116 334 F CB 0.109 39.007 39.000 -0.170 0.000 1.582 334 F HN 0.652 nan 8.300 nan 0.000 0.512 335 A N 0.279 123.117 122.820 0.029 0.000 1.892 335 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 335 A C 2.245 179.903 177.584 0.123 0.000 1.188 335 A CA 3.030 55.015 52.037 -0.087 0.000 0.631 335 A CB -1.497 17.230 19.000 -0.455 0.000 0.822 335 A HN 0.702 nan 8.150 nan 0.000 0.447 336 K N -0.255 120.274 120.400 0.214 0.000 2.032 336 K HA -0.181 4.139 4.320 -0.001 0.000 0.209 336 K C 1.743 178.386 176.600 0.073 0.000 1.048 336 K CA 2.121 58.547 56.287 0.231 0.000 0.927 336 K CB -0.863 31.747 32.500 0.184 0.000 0.712 336 K HN 0.611 nan 8.250 nan 0.000 0.441 337 E N 0.429 120.653 120.200 0.039 0.000 2.268 337 E HA -0.061 4.288 4.350 -0.001 0.000 0.195 337 E C 2.077 178.672 176.600 -0.009 0.000 0.995 337 E CA 0.850 57.244 56.400 -0.009 0.000 0.836 337 E CB 0.220 29.889 29.700 -0.052 0.000 0.763 337 E HN 0.418 nan 8.360 nan 0.000 0.491 338 K N 0.251 120.652 120.400 0.002 0.000 2.057 338 K HA -0.021 4.299 4.320 -0.001 0.000 0.206 338 K C 2.107 178.703 176.600 -0.007 0.000 1.050 338 K CA 0.702 56.982 56.287 -0.012 0.000 0.935 338 K CB -0.334 32.145 32.500 -0.035 0.000 0.715 338 K HN 0.238 nan 8.250 nan 0.000 0.439 339 L N 0.945 122.167 121.223 -0.001 0.000 2.042 339 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 339 L C 2.260 179.114 176.870 -0.027 0.000 1.076 339 L CA 1.432 56.256 54.840 -0.026 0.000 0.749 339 L CB -0.475 41.523 42.059 -0.102 0.000 0.893 339 L HN 0.229 nan 8.230 nan 0.000 0.432 340 E N -0.004 120.179 120.200 -0.028 0.000 2.110 340 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 340 E C 2.111 178.702 176.600 -0.016 0.000 0.988 340 E CA 1.061 57.445 56.400 -0.027 0.000 0.804 340 E CB -0.004 29.679 29.700 -0.029 0.000 0.745 340 E HN 0.483 nan 8.360 nan 0.000 0.458 341 E N 0.532 120.725 120.200 -0.012 0.000 2.077 341 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 341 E C 2.150 178.754 176.600 0.006 0.000 0.989 341 E CA 0.737 57.132 56.400 -0.008 0.000 0.800 341 E CB -0.056 29.639 29.700 -0.008 0.000 0.746 341 E HN 0.245 nan 8.360 nan 0.000 0.452 342 L N 0.981 122.213 121.223 0.015 0.000 2.046 342 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 342 L C 2.646 179.536 176.870 0.033 0.000 1.077 342 L CA 1.234 56.096 54.840 0.036 0.000 0.747 342 L CB -0.311 41.779 42.059 0.052 0.000 0.896 342 L HN 0.061 nan 8.230 nan 0.000 0.432 343 K N 0.236 120.645 120.400 0.014 0.000 2.026 343 K HA -0.236 4.084 4.320 -0.001 0.000 0.208 343 K C 2.258 178.866 176.600 0.014 0.000 1.048 343 K CA 1.622 57.913 56.287 0.006 0.000 0.929 343 K CB -0.096 32.396 32.500 -0.013 0.000 0.713 343 K HN 0.147 nan 8.250 nan 0.000 0.439 344 M N 0.850 120.457 119.600 0.012 0.000 2.117 344 M HA -0.181 4.298 4.480 -0.001 0.000 0.262 344 M C 2.048 178.384 176.300 0.059 0.000 1.065 344 M CA 1.292 56.606 55.300 0.023 0.000 1.114 344 M CB -0.117 32.486 32.600 0.005 0.000 1.361 344 M HN 0.262 nan 8.290 nan 0.000 0.408 345 L N 0.828 122.080 121.223 0.048 0.000 2.017 345 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 345 L C 2.322 179.264 176.870 0.119 0.000 1.073 345 L CA 2.107 56.993 54.840 0.077 0.000 0.745 345 L CB -0.906 41.182 42.059 0.049 0.000 0.894 345 L HN 0.358 nan 8.230 nan 0.000 0.432 346 K N -0.809 119.637 120.400 0.078 0.000 2.032 346 K HA -0.232 4.088 4.320 -0.001 0.000 0.209 346 K C 1.790 178.418 176.600 0.047 0.000 1.048 346 K CA 1.978 58.301 56.287 0.061 0.000 0.927 346 K CB -0.264 32.258 32.500 0.038 0.000 0.712 346 K HN 0.371 nan 8.250 nan 0.000 0.441 347 D N -0.012 120.412 120.400 0.040 0.000 2.117 347 D HA -0.161 4.479 4.640 -0.001 0.000 0.197 347 D C 1.651 177.951 176.300 0.001 0.000 0.987 347 D CA 0.932 54.933 54.000 0.000 0.000 0.829 347 D CB -0.277 40.516 40.800 -0.011 0.000 0.961 347 D HN 0.233 nan 8.370 nan 0.000 0.460 348 F N 1.174 121.084 119.950 -0.067 0.000 2.102 348 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 348 F C 2.138 177.916 175.800 -0.036 0.000 1.105 348 F CA 1.113 59.078 58.000 -0.058 0.000 1.239 348 F CB -0.275 38.711 39.000 -0.023 0.000 0.991 348 F HN -0.122 nan 8.300 nan 0.000 0.474 349 L N -0.064 121.231 121.223 0.121 0.000 2.265 349 L HA -0.182 4.157 4.340 -0.001 0.000 0.215 349 L C 1.684 178.509 176.870 -0.075 0.000 1.117 349 L CA 1.371 56.226 54.840 0.026 0.000 0.782 349 L CB -0.541 41.575 42.059 0.094 0.000 0.914 349 L HN 0.255 nan 8.230 nan 0.000 0.441 350 E N -0.726 119.422 120.200 -0.086 0.000 2.474 350 E HA 0.107 4.457 4.350 -0.001 0.000 0.195 350 E C 1.233 177.747 176.600 -0.143 0.000 1.039 350 E CA 0.442 56.788 56.400 -0.090 0.000 0.881 350 E CB 0.521 30.186 29.700 -0.060 0.000 0.970 350 E HN 0.452 nan 8.360 nan 0.000 0.486 351 G N 0.993 109.650 108.800 -0.239 0.000 2.143 351 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.248 351 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.248 351 G C 0.995 175.643 174.900 -0.420 0.000 0.991 351 G CA 0.711 45.635 45.100 -0.294 0.000 0.689 351 G HN 0.411 nan 8.290 nan 0.000 0.522 352 K N -1.148 119.037 120.400 -0.358 0.000 2.356 352 K HA 0.609 4.929 4.320 -0.001 0.000 0.195 352 K C 0.989 177.320 176.600 -0.448 0.000 1.037 352 K CA 1.733 57.818 56.287 -0.337 0.000 1.014 352 K CB 0.270 32.663 32.500 -0.177 0.000 0.815 352 K HN 0.746 nan 8.250 nan 0.000 0.507 353 T N -0.590 113.678 114.554 -0.475 0.000 2.886 353 T HA 0.614 4.963 4.350 -0.001 0.000 0.292 353 T C -0.469 174.018 174.700 -0.355 0.000 1.012 353 T CA -0.543 61.345 62.100 -0.353 0.000 0.982 353 T CB 1.205 70.027 68.868 -0.076 0.000 1.018 353 T HN 0.120 nan 8.240 nan 0.000 0.451 354 F N -0.075 119.931 119.950 0.094 0.000 2.637 354 F HA 0.327 4.853 4.527 -0.001 0.000 0.284 354 F C 0.956 176.857 175.800 0.167 0.000 1.105 354 F CA -0.476 57.598 58.000 0.124 0.000 1.356 354 F CB 0.249 39.279 39.000 0.051 0.000 1.096 354 F HN 0.362 nan 8.300 nan 0.000 0.616 355 D N 1.544 122.101 120.400 0.261 0.000 2.317 355 D HA 0.402 5.042 4.640 -0.001 0.000 0.252 355 D C -0.330 176.034 176.300 0.106 0.000 1.174 355 D CA 0.423 54.519 54.000 0.161 0.000 0.866 355 D CB 0.881 41.746 40.800 0.108 0.000 1.127 355 D HN -0.025 nan 8.370 nan 0.000 0.467 356 L N 3.398 124.658 121.223 0.062 0.000 2.342 356 L HA 0.505 4.845 4.340 -0.001 0.000 0.271 356 L C -1.514 175.345 176.870 -0.017 0.000 1.008 356 L CA -1.691 53.140 54.840 -0.015 0.000 0.818 356 L CB 1.142 43.130 42.059 -0.118 0.000 1.296 356 L HN 0.260 nan 8.230 nan 0.000 0.427 369 Q N 0.024 119.826 119.800 0.002 0.000 2.135 369 Q HA 0.164 4.504 4.340 -0.001 0.000 0.204 369 Q C 2.440 178.441 176.000 0.002 0.000 0.981 369 Q CA 3.296 59.101 55.803 0.003 0.000 0.856 369 Q CB -0.863 27.877 28.738 0.003 0.000 0.902 369 Q HN 2.249 nan 8.270 nan 0.000 0.425 370 A N -0.107 122.714 122.820 0.001 0.000 1.984 370 A HA 0.428 4.747 4.320 -0.001 0.000 0.214 370 A C 2.571 180.159 177.584 0.006 0.000 1.173 370 A CA 1.410 53.448 52.037 0.001 0.000 0.673 370 A CB -0.519 18.480 19.000 -0.002 0.000 0.830 370 A HN 1.154 nan 8.150 nan 0.000 0.453 371 V N -0.612 119.304 119.914 0.003 0.000 2.626 371 V HA 0.025 4.144 4.120 -0.001 0.000 0.252 371 V C 2.339 178.441 176.094 0.015 0.000 1.067 371 V CA 2.870 65.174 62.300 0.006 0.000 1.081 371 V CB -1.280 30.541 31.823 -0.003 0.000 0.686 371 V HN 0.606 nan 8.190 nan 0.000 0.468 372 E N 0.421 120.628 120.200 0.012 0.000 2.076 372 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 372 E C 2.468 179.080 176.600 0.020 0.000 0.979 372 E CA 2.231 58.640 56.400 0.016 0.000 0.807 372 E CB -0.900 28.806 29.700 0.010 0.000 0.761 372 E HN 0.842 nan 8.360 nan 0.000 0.454 373 R N 0.476 120.984 120.500 0.014 0.000 2.103 373 R HA -0.042 4.298 4.340 -0.001 0.000 0.242 373 R C 2.787 179.100 176.300 0.021 0.000 1.142 373 R CA 1.801 57.906 56.100 0.008 0.000 0.960 373 R CB -1.629 28.668 30.300 -0.004 0.000 0.858 373 R HN 0.426 nan 8.270 nan 0.000 0.439 374 V N 0.332 120.271 119.914 0.043 0.000 2.270 374 V HA -0.196 3.924 4.120 -0.001 0.000 0.245 374 V C 3.275 179.444 176.094 0.125 0.000 1.043 374 V CA 2.689 65.045 62.300 0.095 0.000 1.014 374 V CB -1.038 30.856 31.823 0.118 0.000 0.645 374 V HN 0.801 nan 8.190 nan 0.000 0.447 375 R N 0.454 121.007 120.500 0.088 0.000 2.127 375 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 375 R C 1.581 177.932 176.300 0.085 0.000 1.134 375 R CA 2.005 58.155 56.100 0.083 0.000 0.975 375 R CB -1.148 29.180 30.300 0.047 0.000 0.865 375 R HN 0.660 nan 8.270 nan 0.000 0.447 376 N N 0.166 118.906 118.700 0.065 0.000 2.321 376 N HA 0.218 4.957 4.740 -0.001 0.000 0.242 376 N C -0.756 174.787 175.510 0.055 0.000 1.141 376 N CA -0.192 52.891 53.050 0.056 0.000 0.864 376 N CB 0.202 38.709 38.487 0.034 0.000 1.100 376 N HN 0.391 nan 8.380 nan 0.000 0.510 377 L N 1.914 123.183 121.223 0.077 0.000 2.513 377 L HA 0.122 4.462 4.340 -0.001 0.000 0.272 377 L C -1.627 175.294 176.870 0.085 0.000 1.187 377 L CA -1.132 53.733 54.840 0.042 0.000 0.895 377 L CB -0.086 41.985 42.059 0.019 0.000 1.147 377 L HN -0.125 nan 8.230 nan 0.000 0.483 378 P HA 0.067 nan 4.420 nan 0.000 0.266 378 P C 0.639 178.019 177.300 0.134 0.000 1.195 378 P CA 0.063 63.197 63.100 0.056 0.000 0.768 378 P CB 0.638 32.344 31.700 0.009 0.000 0.838 379 E N 1.104 121.400 120.200 0.160 0.000 2.333 379 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 379 E C 1.605 178.347 176.600 0.238 0.000 1.007 379 E CA 1.922 58.459 56.400 0.229 0.000 0.845 379 E CB -1.554 28.220 29.700 0.124 0.000 0.766 379 E HN 0.702 nan 8.360 nan 0.000 0.507 380 D N -0.688 119.786 120.400 0.123 0.000 2.347 380 D HA 0.296 4.936 4.640 -0.001 0.000 0.213 380 D C 2.264 178.577 176.300 0.022 0.000 0.985 380 D CA 1.238 55.282 54.000 0.075 0.000 0.879 380 D CB -0.622 40.196 40.800 0.031 0.000 0.919 380 D HN 0.681 nan 8.370 nan 0.000 0.526 381 S N -0.716 114.943 115.700 -0.068 0.000 2.507 381 S HA 0.275 4.745 4.470 -0.001 0.000 0.235 381 S C 1.359 175.695 174.600 -0.440 0.000 0.988 381 S CA 0.546 58.555 58.200 -0.319 0.000 0.944 381 S CB -0.641 62.245 63.200 -0.524 0.000 0.762 381 S HN 0.489 nan 8.310 nan 0.000 0.526 382 F N 1.141 121.059 119.950 -0.053 0.000 2.693 382 F HA 0.389 4.916 4.527 -0.001 0.000 0.303 382 F C 1.351 177.140 175.800 -0.019 0.000 1.097 382 F CA 0.199 58.170 58.000 -0.048 0.000 1.330 382 F CB 0.165 39.139 39.000 -0.043 0.000 1.067 382 F HN 0.302 nan 8.300 nan 0.000 0.565 383 R N 0.535 121.092 120.500 0.095 0.000 2.837 383 R HA 0.787 5.127 4.340 -0.001 0.000 0.271 383 R C -0.244 176.060 176.300 0.006 0.000 0.993 383 R CA -1.039 55.092 56.100 0.052 0.000 0.931 383 R CB 0.748 31.080 30.300 0.053 0.000 1.206 383 R HN 0.148 nan 8.270 nan 0.000 0.474 384 R N 0.226 120.725 120.500 -0.001 0.000 2.543 384 R HA 0.418 4.757 4.340 -0.001 0.000 0.268 384 R C 1.874 178.168 176.300 -0.011 0.000 1.067 384 R CA 0.345 56.437 56.100 -0.013 0.000 1.142 384 R CB 0.890 31.184 30.300 -0.010 0.000 1.110 384 R HN 0.946 nan 8.270 nan 0.000 0.549 385 E N 1.273 121.464 120.200 -0.015 0.000 2.070 385 E HA -0.155 4.194 4.350 -0.001 0.000 0.197 385 E C 0.793 177.386 176.600 -0.011 0.000 1.004 385 E CA 2.280 58.672 56.400 -0.013 0.000 0.805 385 E CB -0.442 29.249 29.700 -0.016 0.000 0.744 385 E HN 0.605 nan 8.360 nan 0.000 0.451 386 K N -0.236 120.156 120.400 -0.014 0.000 2.318 386 K HA 0.728 5.048 4.320 -0.001 0.000 0.249 386 K C 0.095 176.685 176.600 -0.016 0.000 0.942 386 K CA 0.135 56.412 56.287 -0.017 0.000 0.808 386 K CB 0.738 33.224 32.500 -0.025 0.000 1.189 386 K HN 0.849 nan 8.250 nan 0.000 0.428 387 E N 0.112 120.304 120.200 -0.013 0.000 2.392 387 E HA 0.347 4.697 4.350 -0.001 0.000 0.256 387 E C 0.811 177.414 176.600 0.004 0.000 1.145 387 E CA 0.370 56.769 56.400 -0.002 0.000 0.929 387 E CB -0.004 29.698 29.700 0.003 0.000 0.998 387 E HN 0.936 nan 8.360 nan 0.000 0.442 388 Y N 0.893 121.133 120.300 -0.100 0.000 2.069 388 Y HA -0.263 4.286 4.550 -0.001 0.000 0.278 388 Y C 2.582 178.444 175.900 -0.062 0.000 1.175 388 Y CA 3.295 61.333 58.100 -0.103 0.000 1.134 388 Y CB -0.666 37.692 38.460 -0.170 0.000 0.965 388 Y HN 0.608 nan 8.280 nan 0.000 0.498 389 T N 0.047 114.572 114.554 -0.049 0.000 2.685 389 T HA -0.292 4.057 4.350 -0.001 0.000 0.268 389 T C 2.027 176.621 174.700 -0.176 0.000 1.034 389 T CA 2.327 64.359 62.100 -0.114 0.000 1.149 389 T CB -0.758 68.115 68.868 0.009 0.000 0.860 389 T HN 0.678 nan 8.240 nan 0.000 0.449 390 E N 1.789 121.916 120.200 -0.121 0.000 2.076 390 E HA -0.072 4.278 4.350 -0.001 0.000 0.190 390 E C 2.126 178.649 176.600 -0.128 0.000 0.979 390 E CA 0.840 57.181 56.400 -0.100 0.000 0.807 390 E CB -0.591 29.075 29.700 -0.056 0.000 0.761 390 E HN 0.595 nan 8.360 nan 0.000 0.454 391 R N 0.336 120.743 120.500 -0.155 0.000 2.091 391 R HA -0.118 4.222 4.340 -0.001 0.000 0.238 391 R C 2.321 178.501 176.300 -0.200 0.000 1.136 391 R CA 1.509 57.522 56.100 -0.145 0.000 0.959 391 R CB -0.415 29.813 30.300 -0.121 0.000 0.856 391 R HN 0.463 nan 8.270 nan 0.000 0.437 392 D N 0.842 121.009 120.400 -0.388 0.000 2.092 392 D HA -0.163 4.476 4.640 -0.001 0.000 0.193 392 D C 1.938 178.128 176.300 -0.184 0.000 0.994 392 D CA 1.475 55.231 54.000 -0.407 0.000 0.828 392 D CB 0.036 40.405 40.800 -0.719 0.000 0.963 392 D HN 0.108 nan 8.370 nan 0.000 0.450 393 R N -0.049 120.359 120.500 -0.153 0.000 2.091 393 R HA -0.092 4.248 4.340 -0.001 0.000 0.238 393 R C 2.452 178.717 176.300 -0.058 0.000 1.136 393 R CA 1.041 57.091 56.100 -0.084 0.000 0.959 393 R CB -0.310 29.949 30.300 -0.069 0.000 0.856 393 R HN 0.344 nan 8.270 nan 0.000 0.437 394 I N 1.290 121.823 120.570 -0.061 0.000 2.179 394 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 394 I C 2.306 178.411 176.117 -0.020 0.000 1.088 394 I CA 1.627 62.905 61.300 -0.037 0.000 1.357 394 I CB -1.021 36.958 38.000 -0.036 0.000 1.051 394 I HN 0.273 nan 8.210 nan 0.000 0.409 395 Q N 0.475 120.262 119.800 -0.021 0.000 2.020 395 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 395 Q C 2.425 178.444 176.000 0.032 0.000 0.982 395 Q CA 1.433 57.248 55.803 0.020 0.000 0.838 395 Q CB -0.175 28.587 28.738 0.041 0.000 0.899 395 Q HN 0.439 nan 8.270 nan 0.000 0.423 396 R N 0.139 120.647 120.500 0.014 0.000 2.105 396 R HA -0.174 4.166 4.340 -0.001 0.000 0.239 396 R C 2.555 178.855 176.300 0.001 0.000 1.135 396 R CA 1.590 57.699 56.100 0.014 0.000 0.967 396 R CB -0.477 29.820 30.300 -0.005 0.000 0.861 396 R HN 0.411 nan 8.270 nan 0.000 0.442 397 E N 1.538 121.734 120.200 -0.007 0.000 2.077 397 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 397 E C 1.875 178.474 176.600 -0.001 0.000 0.989 397 E CA 1.387 57.782 56.400 -0.009 0.000 0.800 397 E CB -0.519 29.173 29.700 -0.013 0.000 0.746 397 E HN 0.398 nan 8.360 nan 0.000 0.452 398 R N -0.640 119.864 120.500 0.007 0.000 2.090 398 R HA 0.088 4.427 4.340 -0.001 0.000 0.228 398 R C 2.437 178.749 176.300 0.021 0.000 1.110 398 R CA 1.138 57.246 56.100 0.013 0.000 0.973 398 R CB -0.231 30.080 30.300 0.018 0.000 0.869 398 R HN 0.453 nan 8.270 nan 0.000 0.440 399 L N 0.054 121.296 121.223 0.031 0.000 2.162 399 L HA 0.057 4.397 4.340 -0.001 0.000 0.205 399 L C 1.014 177.892 176.870 0.014 0.000 1.086 399 L CA 0.846 55.710 54.840 0.040 0.000 0.778 399 L CB -0.780 41.327 42.059 0.080 0.000 0.928 399 L HN 0.489 nan 8.230 nan 0.000 0.446 400 N N 1.077 119.776 118.700 -0.001 0.000 2.696 400 N HA -0.188 4.552 4.740 -0.001 0.000 0.256 400 N C -0.154 175.333 175.510 -0.037 0.000 1.031 400 N CA 0.784 53.822 53.050 -0.020 0.000 0.730 400 N CB -2.584 35.895 38.487 -0.014 0.000 0.894 400 N HN 0.261 nan 8.380 nan 0.000 0.544 401 L N -0.893 120.293 121.223 -0.061 0.000 2.379 401 L HA 0.720 5.060 4.340 -0.001 0.000 0.269 401 L C -1.350 175.440 176.870 -0.133 0.000 1.084 401 L CA -1.795 52.978 54.840 -0.112 0.000 0.802 401 L CB 1.103 43.046 42.059 -0.193 0.000 1.175 401 L HN 0.366 nan 8.230 nan 0.000 0.448 402 P HA 0.197 nan 4.420 nan 0.000 0.274 402 P C -0.663 176.518 177.300 -0.197 0.000 1.256 402 P CA -0.764 62.259 63.100 -0.129 0.000 0.795 402 P CB 0.510 32.159 31.700 -0.085 0.000 1.038 403 L N 1.218 122.312 121.223 -0.215 0.000 2.499 403 L HA 0.120 4.460 4.340 -0.001 0.000 0.281 403 L C -0.204 176.490 176.870 -0.294 0.000 1.234 403 L CA 0.332 54.944 54.840 -0.380 0.000 0.839 403 L CB -1.047 40.719 42.059 -0.489 0.000 1.104 403 L HN 0.275 nan 8.230 nan 0.000 0.500 404 F N 1.944 121.812 119.950 -0.137 0.000 2.866 404 F HA -0.174 4.353 4.527 -0.001 0.000 0.254 404 F C -1.964 173.727 175.800 -0.182 0.000 1.009 404 F CA -0.338 57.587 58.000 -0.124 0.000 0.907 404 F CB -2.409 36.561 39.000 -0.050 0.000 0.859 404 F HN 0.397 nan 8.300 nan 0.000 0.842 405 P HA 0.265 nan 4.420 nan 0.000 0.269 405 P C 0.323 177.576 177.300 -0.077 0.000 1.209 405 P CA -0.006 62.899 63.100 -0.326 0.000 0.776 405 P CB 0.812 31.966 31.700 -0.909 0.000 0.876 406 T N -1.212 113.366 114.554 0.040 0.000 2.895 406 T HA 0.719 5.068 4.350 -0.001 0.000 0.283 406 T C -0.241 174.608 174.700 0.250 0.000 1.014 406 T CA -0.491 61.710 62.100 0.167 0.000 1.037 406 T CB 1.376 70.322 68.868 0.129 0.000 1.006 406 T HN 0.467 nan 8.240 nan 0.000 0.468 407 T N 0.291 115.025 114.554 0.300 0.000 2.665 407 T HA 0.736 5.086 4.350 -0.001 0.000 0.303 407 T C -1.030 173.773 174.700 0.172 0.000 1.334 407 T CA -0.175 62.085 62.100 0.266 0.000 1.011 407 T CB 1.387 70.478 68.868 0.370 0.000 1.573 407 T HN 1.236 nan 8.240 nan 0.000 0.492 408 T N -0.381 114.219 114.554 0.077 0.000 2.888 408 T HA 0.589 4.939 4.350 -0.001 0.000 0.288 408 T C 0.843 175.449 174.700 -0.157 0.000 1.063 408 T CA -0.867 61.212 62.100 -0.035 0.000 1.010 408 T CB 0.944 69.777 68.868 -0.057 0.000 1.214 408 T HN 0.334 nan 8.240 nan 0.000 0.533 409 I N 0.314 120.721 120.570 -0.271 0.000 2.876 409 I HA 0.281 4.451 4.170 -0.001 0.000 0.264 409 I C 1.976 177.875 176.117 -0.363 0.000 1.204 409 I CA 1.433 62.526 61.300 -0.346 0.000 1.485 409 I CB -1.111 36.578 38.000 -0.519 0.000 1.103 409 I HN 1.101 nan 8.210 nan 0.000 0.446 410 G N 0.176 108.708 108.800 -0.447 0.000 4.172 410 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.204 410 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.204 410 G C 0.307 174.802 174.900 -0.676 0.000 1.256 410 G CA 0.182 44.994 45.100 -0.479 0.000 0.886 410 G HN 0.392 nan 8.290 nan 0.000 0.344 411 S N 0.465 115.804 115.700 -0.602 0.000 2.585 411 S HA 0.805 5.275 4.470 -0.001 0.000 0.277 411 S C -0.499 173.725 174.600 -0.626 0.000 1.241 411 S CA -0.507 57.337 58.200 -0.594 0.000 1.041 411 S CB 1.547 64.511 63.200 -0.392 0.000 0.987 411 S HN 0.292 nan 8.310 nan 0.000 0.512 412 F N 1.023 120.706 119.950 -0.444 0.000 2.541 412 F HA 0.534 5.061 4.527 -0.001 0.000 0.331 412 F C -2.164 173.413 175.800 -0.372 0.000 1.057 412 F CA -2.947 54.819 58.000 -0.389 0.000 0.975 412 F CB 1.780 40.658 39.000 -0.204 0.000 1.246 412 F HN 0.370 nan 8.300 nan 0.000 0.484 413 P HA -0.043 nan 4.420 nan 0.000 0.266 413 P C -1.583 175.645 177.300 -0.120 0.000 1.193 413 P CA 0.263 63.057 63.100 -0.511 0.000 0.770 413 P CB 0.323 31.271 31.700 -1.253 0.000 0.836 414 Q N 0.999 120.807 119.800 0.013 0.000 2.368 414 Q HA 0.275 4.614 4.340 -0.001 0.000 0.263 414 Q C 0.199 176.296 176.000 0.161 0.000 1.009 414 Q CA -0.587 55.323 55.803 0.180 0.000 0.818 414 Q CB 0.909 29.747 28.738 0.167 0.000 1.239 414 Q HN 0.472 nan 8.270 nan 0.000 0.464 415 T N -0.541 114.151 114.554 0.230 0.000 2.855 415 T HA 0.085 4.435 4.350 -0.001 0.000 0.314 415 T C -1.795 172.995 174.700 0.150 0.000 1.077 415 T CA -1.297 60.924 62.100 0.202 0.000 1.095 415 T CB 0.469 69.460 68.868 0.204 0.000 0.987 415 T HN 0.247 nan 8.240 nan 0.000 0.546 416 P HA -0.113 nan 4.420 nan 0.000 0.216 416 P C 1.504 178.856 177.300 0.087 0.000 1.150 416 P CA 1.131 64.285 63.100 0.089 0.000 0.843 416 P CB 0.061 31.801 31.700 0.067 0.000 0.787 417 E N -0.299 119.957 120.200 0.094 0.000 2.058 417 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 417 E C 1.812 178.480 176.600 0.114 0.000 0.997 417 E CA 1.339 57.784 56.400 0.074 0.000 0.801 417 E CB -0.420 29.349 29.700 0.117 0.000 0.746 417 E HN -0.057 nan 8.360 nan 0.000 0.450 418 V N 0.674 120.739 119.914 0.252 0.000 2.343 418 V HA -0.298 3.822 4.120 -0.001 0.000 0.247 418 V C 2.912 179.160 176.094 0.256 0.000 1.051 418 V CA 2.468 64.977 62.300 0.349 0.000 1.036 418 V CB -1.090 30.897 31.823 0.274 0.000 0.654 418 V HN 0.444 nan 8.190 nan 0.000 0.451 419 R N 0.437 121.047 120.500 0.185 0.000 2.066 419 R HA -0.159 4.180 4.340 -0.001 0.000 0.232 419 R C 2.435 178.814 176.300 0.132 0.000 1.131 419 R CA 2.479 58.673 56.100 0.158 0.000 0.955 419 R CB -1.384 28.988 30.300 0.120 0.000 0.851 419 R HN 0.608 nan 8.270 nan 0.000 0.432 420 K N 0.523 120.974 120.400 0.085 0.000 2.026 420 K HA 0.047 4.367 4.320 -0.001 0.000 0.208 420 K C 2.369 178.998 176.600 0.048 0.000 1.048 420 K CA 1.874 58.191 56.287 0.050 0.000 0.929 420 K CB -0.599 31.908 32.500 0.012 0.000 0.713 420 K HN 0.437 nan 8.250 nan 0.000 0.439 421 M N 0.126 119.714 119.600 -0.020 0.000 2.073 421 M HA -0.120 4.360 4.480 -0.001 0.000 0.258 421 M C 2.435 178.925 176.300 0.317 0.000 1.070 421 M CA 2.056 57.326 55.300 -0.049 0.000 1.103 421 M CB -0.830 31.407 32.600 -0.604 0.000 1.321 421 M HN 0.527 nan 8.290 nan 0.000 0.405 422 R N 0.237 120.999 120.500 0.437 0.000 2.105 422 R HA -0.144 4.196 4.340 -0.001 0.000 0.239 422 R C 2.424 178.874 176.300 0.250 0.000 1.135 422 R CA 2.045 58.435 56.100 0.484 0.000 0.967 422 R CB -0.268 30.276 30.300 0.407 0.000 0.861 422 R HN 0.501 nan 8.270 nan 0.000 0.442 423 S N 0.494 116.304 115.700 0.185 0.000 2.356 423 S HA -0.172 4.298 4.470 -0.001 0.000 0.223 423 S C 2.230 176.888 174.600 0.096 0.000 1.032 423 S CA 2.044 60.316 58.200 0.121 0.000 1.005 423 S CB -0.634 62.623 63.200 0.094 0.000 0.867 423 S HN 0.495 nan 8.310 nan 0.000 0.449 424 K N 0.452 120.916 120.400 0.107 0.000 2.009 424 K HA -0.135 4.184 4.320 -0.001 0.000 0.210 424 K C 2.032 178.687 176.600 0.091 0.000 1.049 424 K CA 1.925 58.264 56.287 0.086 0.000 0.929 424 K CB -1.705 30.844 32.500 0.081 0.000 0.714 424 K HN 0.749 nan 8.250 nan 0.000 0.440 425 Y N 1.223 121.526 120.300 0.006 0.000 2.165 425 Y HA -0.235 4.315 4.550 -0.001 0.000 0.286 425 Y C 2.890 178.728 175.900 -0.103 0.000 1.155 425 Y CA 3.335 61.383 58.100 -0.087 0.000 1.164 425 Y CB -0.399 37.839 38.460 -0.371 0.000 0.978 425 Y HN 0.345 nan 8.280 nan 0.000 0.513 426 R N 0.822 121.226 120.500 -0.161 0.000 2.115 426 R HA 0.094 4.433 4.340 -0.001 0.000 0.230 426 R C 1.505 177.711 176.300 -0.158 0.000 1.111 426 R CA 1.684 57.659 56.100 -0.208 0.000 0.976 426 R CB -1.624 28.665 30.300 -0.019 0.000 0.870 426 R HN 0.509 nan 8.270 nan 0.000 0.445 433 E N 0.986 121.273 120.200 0.145 0.000 2.085 433 E HA -0.085 4.264 4.350 -0.001 0.000 0.194 433 E C 2.268 178.925 176.600 0.095 0.000 0.994 433 E CA 2.879 59.337 56.400 0.096 0.000 0.801 433 E CB -1.258 28.485 29.700 0.071 0.000 0.743 433 E HN 1.101 nan 8.360 nan 0.000 0.453 434 E N -0.784 119.487 120.200 0.120 0.000 2.072 434 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 434 E C 1.934 178.613 176.600 0.132 0.000 0.985 434 E CA 1.245 57.709 56.400 0.108 0.000 0.801 434 E CB -0.941 28.820 29.700 0.102 0.000 0.750 434 E HN 0.788 nan 8.360 nan 0.000 0.452 435 Y N 1.278 121.603 120.300 0.042 0.000 2.133 435 Y HA -0.132 4.418 4.550 -0.001 0.000 0.287 435 Y C 2.446 178.360 175.900 0.023 0.000 1.134 435 Y CA 2.322 60.426 58.100 0.008 0.000 1.133 435 Y CB 0.031 38.356 38.460 -0.225 0.000 0.987 435 Y HN 0.342 nan 8.280 nan 0.000 0.502 436 E N 0.112 120.385 120.200 0.121 0.000 2.065 436 E HA -0.327 4.023 4.350 -0.001 0.000 0.201 436 E C 2.362 178.926 176.600 -0.061 0.000 1.016 436 E CA 1.223 57.641 56.400 0.029 0.000 0.818 436 E CB -0.488 29.231 29.700 0.032 0.000 0.749 436 E HN 0.595 nan 8.360 nan 0.000 0.453 437 A N 1.211 124.013 122.820 -0.029 0.000 1.917 437 A HA -0.234 4.085 4.320 -0.001 0.000 0.219 437 A C 2.029 179.576 177.584 -0.062 0.000 1.182 437 A CA 1.611 53.616 52.037 -0.053 0.000 0.633 437 A CB -0.850 18.148 19.000 -0.004 0.000 0.819 437 A HN 0.369 nan 8.150 nan 0.000 0.448 438 F N 0.612 120.445 119.950 -0.195 0.000 2.102 438 F HA -0.167 4.359 4.527 -0.001 0.000 0.298 438 F C 1.943 177.586 175.800 -0.261 0.000 1.105 438 F CA 1.457 59.315 58.000 -0.236 0.000 1.239 438 F CB -0.159 38.660 39.000 -0.302 0.000 0.991 438 F HN 0.144 nan 8.300 nan 0.000 0.474 439 I N 1.661 121.985 120.570 -0.409 0.000 2.142 439 I HA -0.290 3.880 4.170 -0.001 0.000 0.240 439 I C 2.773 178.759 176.117 -0.219 0.000 1.078 439 I CA 2.005 63.093 61.300 -0.353 0.000 1.343 439 I CB -2.012 35.903 38.000 -0.142 0.000 1.046 439 I HN 0.273 nan 8.210 nan 0.000 0.405 440 K N 0.854 121.123 120.400 -0.219 0.000 2.160 440 K HA -0.224 4.096 4.320 -0.001 0.000 0.206 440 K C 2.205 178.731 176.600 -0.124 0.000 1.047 440 K CA 1.995 58.108 56.287 -0.290 0.000 0.930 440 K CB -1.630 30.501 32.500 -0.615 0.000 0.720 440 K HN 0.594 nan 8.250 nan 0.000 0.450 441 E N 1.129 121.204 120.200 -0.209 0.000 2.072 441 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 441 E C 2.193 178.654 176.600 -0.231 0.000 0.985 441 E CA 1.311 57.600 56.400 -0.184 0.000 0.801 441 E CB -0.530 29.041 29.700 -0.216 0.000 0.750 441 E HN 0.735 nan 8.360 nan 0.000 0.452 442 Q N -0.324 119.219 119.800 -0.428 0.000 2.167 442 Q HA 0.056 4.396 4.340 -0.001 0.000 0.202 442 Q C 2.440 178.377 176.000 -0.106 0.000 0.970 442 Q CA 1.048 56.553 55.803 -0.495 0.000 0.855 442 Q CB -0.191 27.946 28.738 -1.003 0.000 0.911 442 Q HN 0.664 nan 8.270 nan 0.000 0.438 443 I N 1.232 121.879 120.570 0.128 0.000 2.163 443 I HA -0.296 3.873 4.170 -0.001 0.000 0.240 443 I C 2.846 179.097 176.117 0.223 0.000 1.081 443 I CA 1.797 63.300 61.300 0.339 0.000 1.353 443 I CB -0.610 37.638 38.000 0.412 0.000 1.054 443 I HN 0.200 nan 8.210 nan 0.000 0.407 444 K N 1.346 121.869 120.400 0.204 0.000 2.034 444 K HA -0.311 4.009 4.320 -0.001 0.000 0.214 444 K C 2.413 179.025 176.600 0.020 0.000 1.051 444 K CA 2.704 59.049 56.287 0.097 0.000 0.931 444 K CB -1.716 30.861 32.500 0.127 0.000 0.715 444 K HN 0.465 nan 8.250 nan 0.000 0.446 445 K N 0.292 120.675 120.400 -0.029 0.000 2.063 445 K HA 0.233 4.552 4.320 -0.001 0.000 0.208 445 K C 2.702 179.241 176.600 -0.102 0.000 1.048 445 K CA 2.043 58.265 56.287 -0.108 0.000 0.928 445 K CB -1.249 31.130 32.500 -0.202 0.000 0.713 445 K HN 0.910 nan 8.250 nan 0.000 0.442 446 A N 0.623 123.450 122.820 0.010 0.000 1.897 446 A HA 0.074 4.393 4.320 -0.001 0.000 0.215 446 A C 2.313 179.949 177.584 0.086 0.000 1.181 446 A CA 1.396 53.473 52.037 0.067 0.000 0.620 446 A CB -0.143 19.104 19.000 0.412 0.000 0.821 446 A HN 0.416 nan 8.150 nan 0.000 0.443 447 I N 0.266 120.903 120.570 0.113 0.000 2.179 447 I HA -0.218 3.951 4.170 -0.001 0.000 0.242 447 I C 3.002 179.136 176.117 0.028 0.000 1.088 447 I CA 1.903 63.253 61.300 0.083 0.000 1.357 447 I CB -1.710 36.314 38.000 0.041 0.000 1.051 447 I HN 0.585 nan 8.210 nan 0.000 0.409 448 E N 0.837 121.031 120.200 -0.010 0.000 2.077 448 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 448 E C 2.156 178.730 176.600 -0.044 0.000 0.989 448 E CA 1.444 57.824 56.400 -0.033 0.000 0.800 448 E CB -1.051 28.618 29.700 -0.051 0.000 0.746 448 E HN 0.366 nan 8.360 nan 0.000 0.452 449 L N 0.701 121.878 121.223 -0.076 0.000 2.046 449 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 449 L C 2.519 179.369 176.870 -0.033 0.000 1.077 449 L CA 2.517 57.296 54.840 -0.102 0.000 0.747 449 L CB -0.477 41.452 42.059 -0.217 0.000 0.896 449 L HN 0.446 nan 8.230 nan 0.000 0.432 450 Q N -0.670 119.140 119.800 0.017 0.000 2.079 450 Q HA -0.196 4.144 4.340 -0.001 0.000 0.200 450 Q C 2.238 178.274 176.000 0.060 0.000 0.974 450 Q CA 1.944 57.797 55.803 0.084 0.000 0.840 450 Q CB -0.332 28.507 28.738 0.168 0.000 0.898 450 Q HN 0.767 nan 8.270 nan 0.000 0.430 451 E N 1.120 121.342 120.200 0.037 0.000 2.077 451 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 451 E C 1.896 178.503 176.600 0.011 0.000 0.989 451 E CA 1.673 58.087 56.400 0.023 0.000 0.800 451 E CB -1.188 28.518 29.700 0.010 0.000 0.746 451 E HN 0.657 nan 8.360 nan 0.000 0.452 452 E N 0.555 120.753 120.200 -0.003 0.000 2.077 452 E HA -0.031 4.319 4.350 -0.001 0.000 0.193 452 E C 2.096 178.694 176.600 -0.003 0.000 0.989 452 E CA 1.246 57.639 56.400 -0.012 0.000 0.800 452 E CB -0.653 29.028 29.700 -0.031 0.000 0.746 452 E HN 0.698 nan 8.360 nan 0.000 0.452 453 I N -0.681 119.894 120.570 0.008 0.000 2.493 453 I HA 0.086 4.256 4.170 -0.001 0.000 0.254 453 I C 2.034 178.168 176.117 0.029 0.000 1.160 453 I CA 0.963 62.276 61.300 0.021 0.000 1.445 453 I CB -0.013 38.013 38.000 0.044 0.000 1.086 453 I HN 0.502 nan 8.210 nan 0.000 0.433 454 G N 1.496 110.316 108.800 0.033 0.000 2.140 454 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.211 454 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.211 454 G C 0.082 175.012 174.900 0.050 0.000 1.013 454 G CA -0.490 44.630 45.100 0.033 0.000 0.705 454 G HN 0.215 nan 8.290 nan 0.000 0.508 455 L N 0.195 121.462 121.223 0.073 0.000 2.439 455 L HA 0.286 4.626 4.340 -0.001 0.000 0.269 455 L C 1.370 178.289 176.870 0.081 0.000 1.179 455 L CA -0.447 54.452 54.840 0.097 0.000 0.828 455 L CB 0.453 42.597 42.059 0.141 0.000 1.106 455 L HN 0.072 nan 8.230 nan 0.000 0.467 456 D N 0.938 121.386 120.400 0.080 0.000 2.162 456 D HA 0.028 4.668 4.640 -0.001 0.000 0.205 456 D C 0.115 176.467 176.300 0.086 0.000 0.964 456 D CA 1.162 55.192 54.000 0.051 0.000 0.847 456 D CB 0.473 41.267 40.800 -0.009 0.000 0.988 456 D HN 0.146 nan 8.370 nan 0.000 0.480 457 V N 2.303 122.307 119.914 0.150 0.000 2.487 457 V HA 0.309 4.428 4.120 -0.001 0.000 0.298 457 V C 0.142 176.320 176.094 0.140 0.000 1.028 457 V CA -0.676 61.727 62.300 0.171 0.000 0.860 457 V CB 2.286 34.293 31.823 0.307 0.000 0.991 457 V HN -0.045 nan 8.190 nan 0.000 0.427 458 L N 4.977 126.262 121.223 0.104 0.000 2.365 458 L HA 0.836 5.175 4.340 -0.001 0.000 0.267 458 L C -0.130 176.779 176.870 0.066 0.000 1.033 458 L CA -0.917 53.989 54.840 0.111 0.000 0.802 458 L CB 1.817 43.946 42.059 0.116 0.000 1.267 458 L HN 0.571 nan 8.230 nan 0.000 0.457 459 V N -2.974 116.980 119.914 0.066 0.000 3.074 459 V HA 0.369 4.489 4.120 -0.001 0.000 0.314 459 V C 0.530 176.664 176.094 0.067 0.000 1.117 459 V CA -0.617 61.667 62.300 -0.026 0.000 1.014 459 V CB 1.630 33.291 31.823 -0.271 0.000 1.057 459 V HN 0.891 nan 8.190 nan 0.000 0.438 460 H N 0.063 119.097 119.070 -0.061 0.000 2.563 460 H HA 0.314 4.870 4.556 -0.001 0.000 0.264 460 H C 1.224 176.501 175.328 -0.085 0.000 0.957 460 H CA 1.071 57.127 56.048 0.013 0.000 1.173 460 H CB 0.823 30.597 29.762 0.020 0.000 1.420 460 H HN 1.648 nan 8.280 nan 0.000 0.551 461 G N 1.279 109.601 108.800 -0.795 0.000 2.234 461 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.235 461 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.235 461 G C 0.232 174.369 174.900 -1.272 0.000 0.997 461 G CA 0.098 44.585 45.100 -1.021 0.000 0.623 461 G HN 0.458 nan 8.290 nan 0.000 0.514 462 E N -1.448 117.969 120.200 -1.305 0.000 2.637 462 E HA -0.268 4.082 4.350 -0.001 0.000 0.265 462 E C 0.981 177.311 176.600 -0.451 0.000 1.073 462 E CA 0.683 56.613 56.400 -0.783 0.000 0.778 462 E CB -1.637 27.704 29.700 -0.598 0.000 1.362 462 E HN 0.594 nan 8.360 nan 0.000 0.413 463 F N 1.027 120.914 119.950 -0.106 0.000 2.269 463 F HA -0.145 4.382 4.527 -0.001 0.000 0.301 463 F C 2.637 178.480 175.800 0.072 0.000 1.082 463 F CA 1.553 59.556 58.000 0.005 0.000 1.360 463 F CB -0.162 38.846 39.000 0.014 0.000 1.041 463 F HN 0.182 nan 8.300 nan 0.000 0.512 464 E N 1.378 121.698 120.200 0.201 0.000 2.502 464 E HA -0.036 4.314 4.350 -0.001 0.000 0.194 464 E C 0.051 176.716 176.600 0.109 0.000 1.062 464 E CA 0.164 56.725 56.400 0.270 0.000 0.867 464 E CB -0.185 29.683 29.700 0.281 0.000 0.888 464 E HN 0.334 nan 8.360 nan 0.000 0.510 465 R N 0.446 120.892 120.500 -0.090 0.000 2.514 465 R HA 0.240 4.580 4.340 -0.001 0.000 0.301 465 R C 1.167 177.462 176.300 -0.008 0.000 0.962 465 R CA 0.301 56.281 56.100 -0.201 0.000 0.882 465 R CB 1.462 31.410 30.300 -0.587 0.000 1.143 465 R HN 0.099 nan 8.270 nan 0.000 0.452 466 T N -1.144 113.456 114.554 0.076 0.000 2.735 466 T HA -0.067 4.283 4.350 -0.001 0.000 0.256 466 T C 0.389 175.112 174.700 0.038 0.000 1.042 466 T CA 1.310 63.463 62.100 0.089 0.000 1.147 466 T CB -0.070 68.876 68.868 0.131 0.000 0.865 466 T HN 0.770 nan 8.240 nan 0.000 0.421 467 D N -0.628 119.793 120.400 0.036 0.000 2.596 467 D HA 0.308 4.947 4.640 -0.001 0.000 0.262 467 D C 1.062 177.374 176.300 0.019 0.000 1.210 467 D CA -0.709 53.283 54.000 -0.013 0.000 0.873 467 D CB 0.727 41.502 40.800 -0.040 0.000 1.408 467 D HN 0.292 nan 8.370 nan 0.000 0.441 468 M N -0.048 119.552 119.600 -0.000 0.000 2.549 468 M HA 0.046 4.526 4.480 -0.001 0.000 0.260 468 M C -0.179 176.288 176.300 0.278 0.000 1.076 468 M CA 1.050 56.428 55.300 0.131 0.000 1.090 468 M CB -0.160 32.492 32.600 0.086 0.000 1.418 468 M HN 0.239 nan 8.290 nan 0.000 0.486 469 V N 0.497 120.504 119.914 0.156 0.000 2.627 469 V HA -0.051 4.069 4.120 -0.001 0.000 0.239 469 V C 2.289 178.528 176.094 0.241 0.000 1.077 469 V CA 1.434 63.871 62.300 0.228 0.000 1.103 469 V CB -0.298 31.610 31.823 0.143 0.000 0.802 469 V HN 0.482 nan 8.190 nan 0.000 0.482 470 E N 0.145 120.445 120.200 0.167 0.000 2.118 470 E HA -0.293 4.057 4.350 -0.001 0.000 0.195 470 E C 2.048 178.725 176.600 0.129 0.000 0.992 470 E CA 1.816 58.303 56.400 0.146 0.000 0.804 470 E CB -0.207 29.567 29.700 0.124 0.000 0.741 470 E HN 0.491 nan 8.360 nan 0.000 0.458 471 F N 0.070 119.990 119.950 -0.050 0.000 2.120 471 F HA -0.226 4.301 4.527 -0.001 0.000 0.300 471 F C 1.509 177.162 175.800 -0.246 0.000 1.095 471 F CA 1.658 59.534 58.000 -0.208 0.000 1.249 471 F CB -0.272 38.479 39.000 -0.414 0.000 0.995 471 F HN 0.044 nan 8.300 nan 0.000 0.480 472 F N -0.070 119.914 119.950 0.056 0.000 2.317 472 F HA 0.180 4.707 4.527 -0.001 0.000 0.293 472 F C 2.538 178.325 175.800 -0.022 0.000 1.085 472 F CA 0.823 58.799 58.000 -0.040 0.000 1.390 472 F CB -1.480 37.578 39.000 0.097 0.000 1.077 472 F HN 0.008 nan 8.300 nan 0.000 0.517 473 A N 0.211 123.159 122.820 0.213 0.000 1.948 473 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 473 A C 2.015 179.653 177.584 0.091 0.000 1.177 473 A CA 1.978 54.110 52.037 0.158 0.000 0.636 473 A CB -0.858 18.243 19.000 0.168 0.000 0.815 473 A HN 0.455 nan 8.150 nan 0.000 0.449 474 E N -0.793 119.425 120.200 0.029 0.000 2.409 474 E HA -0.080 4.270 4.350 -0.001 0.000 0.198 474 E C 1.111 177.694 176.600 -0.029 0.000 1.024 474 E CA 0.770 57.167 56.400 -0.005 0.000 0.861 474 E CB 0.006 29.683 29.700 -0.039 0.000 0.788 474 E HN 0.578 nan 8.360 nan 0.000 0.521 475 K N -0.002 120.372 120.400 -0.043 0.000 2.387 475 K HA 0.231 4.550 4.320 -0.001 0.000 0.203 475 K C -0.244 176.369 176.600 0.021 0.000 1.030 475 K CA -0.078 56.184 56.287 -0.042 0.000 1.099 475 K CB 0.842 33.268 32.500 -0.123 0.000 0.863 475 K HN -0.025 nan 8.250 nan 0.000 0.529 476 L N 1.646 122.899 121.223 0.050 0.000 2.329 476 L HA 0.317 4.657 4.340 -0.001 0.000 0.279 476 L C -0.246 176.652 176.870 0.047 0.000 1.014 476 L CA -1.134 53.738 54.840 0.054 0.000 0.814 476 L CB 1.263 43.364 42.059 0.071 0.000 1.257 476 L HN 0.013 nan 8.230 nan 0.000 0.424 477 N N 1.414 120.131 118.700 0.028 0.000 2.453 477 N HA 0.246 4.986 4.740 -0.001 0.000 0.253 477 N C 1.040 176.514 175.510 -0.060 0.000 1.252 477 N CA 1.039 54.097 53.050 0.012 0.000 0.917 477 N CB 1.141 39.633 38.487 0.008 0.000 1.117 477 N HN 0.886 nan 8.380 nan 0.000 0.442 478 G N 0.032 108.723 108.800 -0.181 0.000 2.176 478 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.253 478 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.253 478 G C -0.065 174.489 174.900 -0.576 0.000 0.979 478 G CA -0.026 44.750 45.100 -0.540 0.000 0.641 478 G HN 0.515 nan 8.290 nan 0.000 0.530 479 I N 0.896 121.414 120.570 -0.087 0.000 2.498 479 I HA 0.683 4.853 4.170 -0.001 0.000 0.290 479 I C 0.328 176.673 176.117 0.379 0.000 1.032 479 I CA -0.674 60.731 61.300 0.175 0.000 1.073 479 I CB 2.037 40.122 38.000 0.143 0.000 1.251 479 I HN 0.260 nan 8.210 nan 0.000 0.426 480 A N 3.802 126.902 122.820 0.466 0.000 2.337 480 A HA 0.902 5.221 4.320 -0.001 0.000 0.331 480 A C -0.197 177.491 177.584 0.174 0.000 1.137 480 A CA -0.506 51.701 52.037 0.284 0.000 0.807 480 A CB 1.433 20.528 19.000 0.159 0.000 1.250 480 A HN 0.709 nan 8.150 nan 0.000 0.468 481 T N -1.046 113.567 114.554 0.097 0.000 2.863 481 T HA 0.677 5.026 4.350 -0.001 0.000 0.285 481 T C 0.156 174.860 174.700 0.007 0.000 1.009 481 T CA 0.022 62.151 62.100 0.048 0.000 0.989 481 T CB 1.186 70.071 68.868 0.028 0.000 1.004 481 T HN 1.178 nan 8.240 nan 0.000 0.455 482 T N 0.558 115.094 114.554 -0.029 0.000 2.862 482 T HA 0.384 4.733 4.350 -0.001 0.000 0.276 482 T C 0.943 175.575 174.700 -0.114 0.000 0.974 482 T CA -0.587 61.486 62.100 -0.045 0.000 0.966 482 T CB 1.300 70.159 68.868 -0.015 0.000 1.072 482 T HN 0.681 nan 8.240 nan 0.000 0.538 483 Q N -0.088 119.659 119.800 -0.089 0.000 2.226 483 Q HA 0.182 4.521 4.340 -0.001 0.000 0.199 483 Q C 0.766 176.683 176.000 -0.139 0.000 0.945 483 Q CA 0.468 56.221 55.803 -0.084 0.000 0.861 483 Q CB 0.316 29.042 28.738 -0.020 0.000 0.953 483 Q HN 0.627 nan 8.270 nan 0.000 0.490 484 N N -0.556 118.059 118.700 -0.142 0.000 2.305 484 N HA 0.106 4.845 4.740 -0.001 0.000 0.248 484 N C -0.247 175.115 175.510 -0.247 0.000 1.290 484 N CA 0.113 53.086 53.050 -0.130 0.000 0.873 484 N CB 1.365 39.928 38.487 0.128 0.000 1.261 484 N HN 0.038 nan 8.380 nan 0.000 0.504 485 G N 0.513 109.091 108.800 -0.370 0.000 3.401 485 G HA2 0.105 4.064 3.960 -0.001 0.000 0.251 485 G HA3 0.105 4.064 3.960 -0.001 0.000 0.251 485 G C -0.419 174.234 174.900 -0.411 0.000 0.960 485 G CA -0.430 44.491 45.100 -0.298 0.000 1.900 485 G HN 0.160 nan 8.290 nan 0.000 0.645 486 W N 0.299 121.532 121.300 -0.112 0.000 2.218 486 W HA 0.480 5.140 4.660 -0.001 0.000 0.326 486 W C -0.039 176.371 176.519 -0.181 0.000 1.276 486 W CA -0.635 56.633 57.345 -0.128 0.000 1.210 486 W CB 1.287 30.713 29.460 -0.056 0.000 1.143 486 W HN -0.026 nan 8.180 nan 0.000 0.563 487 V N 4.682 124.611 119.914 0.025 0.000 2.760 487 V HA 0.226 4.346 4.120 -0.001 0.000 0.309 487 V C -0.586 175.596 176.094 0.147 0.000 1.077 487 V CA -1.284 60.997 62.300 -0.031 0.000 0.910 487 V CB 1.626 33.320 31.823 -0.216 0.000 1.008 487 V HN 0.337 nan 8.190 nan 0.000 0.424 488 L N 3.471 124.802 121.223 0.180 0.000 2.410 488 L HA 0.313 4.653 4.340 -0.001 0.000 0.273 488 L C 1.275 178.431 176.870 0.476 0.000 1.144 488 L CA 1.210 56.197 54.840 0.245 0.000 0.863 488 L CB 1.456 43.581 42.059 0.108 0.000 1.140 488 L HN 0.784 nan 8.230 nan 0.000 0.463 489 S N 3.967 119.945 115.700 0.464 0.000 2.460 489 S HA 0.221 4.690 4.470 -0.001 0.000 0.226 489 S C -0.550 174.359 174.600 0.515 0.000 1.057 489 S CA 0.643 59.194 58.200 0.585 0.000 0.948 489 S CB 0.017 63.511 63.200 0.491 0.000 0.822 489 S HN 0.756 nan 8.310 nan 0.000 0.512 490 Y N -3.624 116.806 120.300 0.217 0.000 2.717 490 Y HA 0.521 5.070 4.550 -0.001 0.000 0.345 490 Y C 0.565 176.458 175.900 -0.012 0.000 1.187 490 Y CA -1.070 57.060 58.100 0.051 0.000 1.128 490 Y CB 0.167 38.624 38.460 -0.005 0.000 1.360 490 Y HN 0.246 nan 8.280 nan 0.000 0.467 491 G N 1.851 110.527 108.800 -0.206 0.000 2.699 491 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.347 491 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.347 491 G C 1.032 175.872 174.900 -0.101 0.000 1.225 491 G CA 2.568 47.180 45.100 -0.814 0.000 0.973 491 G HN 2.116 nan 8.290 nan 0.000 0.551 492 S N 0.064 115.775 115.700 0.017 0.000 2.578 492 S HA 0.602 5.071 4.470 -0.001 0.000 0.231 492 S C 1.061 175.626 174.600 -0.059 0.000 0.994 492 S CA 1.247 59.476 58.200 0.048 0.000 0.956 492 S CB 0.328 63.517 63.200 -0.017 0.000 0.870 492 S HN 1.663 nan 8.310 nan 0.000 0.494 493 R N 0.582 120.929 120.500 -0.256 0.000 2.234 493 R HA 0.695 5.035 4.340 -0.001 0.000 0.324 493 R C -0.232 176.011 176.300 -0.095 0.000 1.054 493 R CA -0.349 55.577 56.100 -0.290 0.000 0.912 493 R CB -1.011 28.882 30.300 -0.678 0.000 1.030 493 R HN 0.544 nan 8.270 nan 0.000 0.455 494 C N 1.695 121.022 119.300 0.044 0.000 2.595 494 C HA 0.971 5.431 4.460 -0.001 0.000 0.338 494 C C -0.679 174.625 174.990 0.523 0.000 1.219 494 C CA -1.028 58.145 59.018 0.259 0.000 1.811 494 C CB 1.089 28.925 27.740 0.161 0.000 2.313 494 C HN 0.964 nan 8.230 nan 0.000 0.499 495 Y N -1.324 119.240 120.300 0.440 0.000 2.615 495 Y HA 0.758 5.307 4.550 -0.001 0.000 0.341 495 Y C -0.727 175.330 175.900 0.262 0.000 1.089 495 Y CA -1.647 56.709 58.100 0.427 0.000 1.049 495 Y CB 0.761 39.381 38.460 0.266 0.000 1.296 495 Y HN 0.551 nan 8.280 nan 0.000 0.470 496 R N 2.406 122.832 120.500 -0.123 0.000 2.215 496 R HA 0.446 4.785 4.340 -0.001 0.000 0.336 496 R C -2.825 173.362 176.300 -0.188 0.000 0.996 496 R CA -1.774 54.075 56.100 -0.418 0.000 0.847 496 R CB 1.077 30.993 30.300 -0.640 0.000 1.127 496 R HN 0.417 nan 8.270 nan 0.000 0.465 497 P HA 0.123 nan 4.420 nan 0.000 0.271 497 P C -2.405 174.862 177.300 -0.055 0.000 1.220 497 P CA -1.353 61.665 63.100 -0.137 0.000 0.768 497 P CB 0.407 31.741 31.700 -0.610 0.000 0.848 498 P HA 0.197 nan 4.420 nan 0.000 0.272 498 P C -0.425 176.986 177.300 0.186 0.000 1.240 498 P CA 0.204 63.382 63.100 0.129 0.000 0.791 498 P CB 0.483 32.286 31.700 0.172 0.000 0.978 499 I N 1.775 122.499 120.570 0.257 0.000 2.382 499 I HA 0.309 4.479 4.170 -0.001 0.000 0.285 499 I C 0.100 176.475 176.117 0.431 0.000 1.007 499 I CA -0.547 60.959 61.300 0.345 0.000 1.142 499 I CB 0.857 39.023 38.000 0.276 0.000 1.289 499 I HN 0.116 nan 8.210 nan 0.000 0.453 500 I N 7.051 127.884 120.570 0.438 0.000 2.311 500 I HA -0.013 4.157 4.170 -0.001 0.000 0.297 500 I C 0.670 177.055 176.117 0.448 0.000 1.131 500 I CA -0.033 61.480 61.300 0.356 0.000 1.289 500 I CB -0.131 38.057 38.000 0.313 0.000 1.446 500 I HN 0.656 nan 8.210 nan 0.000 0.524 501 Y N 3.956 124.464 120.300 0.346 0.000 2.481 501 Y HA 0.624 5.173 4.550 -0.001 0.000 0.258 501 Y C 0.887 176.879 175.900 0.154 0.000 1.103 501 Y CA -0.331 57.989 58.100 0.366 0.000 1.287 501 Y CB 0.036 38.724 38.460 0.380 0.000 1.108 501 Y HN 0.325 nan 8.280 nan 0.000 0.529 502 G N -0.260 108.274 108.800 -0.443 0.000 2.827 502 G HA2 0.380 4.340 3.960 -0.001 0.000 0.296 502 G HA3 0.380 4.340 3.960 -0.001 0.000 0.296 502 G C -1.242 173.529 174.900 -0.215 0.000 1.362 502 G CA -0.900 44.022 45.100 -0.297 0.000 0.809 502 G HN -0.056 nan 8.290 nan 0.000 0.522 503 T N 0.766 115.240 114.554 -0.133 0.000 2.866 503 T HA 0.266 4.615 4.350 -0.001 0.000 0.293 503 T C 0.475 175.122 174.700 -0.089 0.000 1.005 503 T CA 0.127 62.178 62.100 -0.082 0.000 1.162 503 T CB 0.663 69.502 68.868 -0.049 0.000 0.968 503 T HN 0.385 nan 8.240 nan 0.000 0.530 504 V N 5.372 125.254 119.914 -0.055 0.000 2.461 504 V HA 0.584 4.703 4.120 -0.001 0.000 0.275 504 V C 0.775 176.860 176.094 -0.015 0.000 1.047 504 V CA -0.444 61.835 62.300 -0.035 0.000 0.955 504 V CB 0.966 32.786 31.823 -0.006 0.000 0.988 504 V HN 1.169 nan 8.190 nan 0.000 0.471 505 T N 2.374 116.923 114.554 -0.010 0.000 2.816 505 T HA 0.548 4.898 4.350 -0.001 0.000 0.299 505 T C -0.762 173.944 174.700 0.011 0.000 1.230 505 T CA -0.992 61.108 62.100 0.001 0.000 1.007 505 T CB 2.115 70.983 68.868 -0.001 0.000 1.289 505 T HN 0.543 nan 8.240 nan 0.000 0.508 506 R N 1.620 122.127 120.500 0.013 0.000 2.312 506 R HA 0.375 4.715 4.340 -0.001 0.000 0.310 506 R C -2.023 174.289 176.300 0.019 0.000 1.064 506 R CA -1.980 54.133 56.100 0.021 0.000 0.983 506 R CB 0.641 30.956 30.300 0.024 0.000 1.139 506 R HN 0.512 nan 8.270 nan 0.000 0.536 507 P HA -0.095 nan 4.420 nan 0.000 0.214 507 P C 0.072 177.384 177.300 0.021 0.000 1.163 507 P CA 1.336 64.448 63.100 0.020 0.000 0.883 507 P CB 0.294 32.008 31.700 0.023 0.000 0.788 508 E N -0.729 119.485 120.200 0.024 0.000 2.336 508 E HA 0.516 4.865 4.350 -0.001 0.000 0.267 508 E C -2.911 173.709 176.600 0.033 0.000 0.906 508 E CA -2.522 53.894 56.400 0.026 0.000 0.781 508 E CB -0.245 29.470 29.700 0.025 0.000 1.261 508 E HN -0.045 nan 8.360 nan 0.000 0.436 509 P HA 0.131 nan 4.420 nan 0.000 0.265 509 P C 0.217 177.554 177.300 0.062 0.000 1.187 509 P CA 0.343 63.474 63.100 0.051 0.000 0.766 509 P CB 0.462 32.191 31.700 0.047 0.000 0.820 510 M N 1.113 120.772 119.600 0.098 0.000 2.615 510 M HA 0.015 4.494 4.480 -0.001 0.000 0.262 510 M C 1.158 177.560 176.300 0.171 0.000 1.198 510 M CA 1.167 56.530 55.300 0.106 0.000 1.165 510 M CB 0.072 32.791 32.600 0.199 0.000 1.310 510 M HN 0.403 nan 8.290 nan 0.000 0.494 511 T N -3.044 111.631 114.554 0.202 0.000 3.087 511 T HA 0.312 4.662 4.350 -0.001 0.000 0.283 511 T C 1.384 176.136 174.700 0.086 0.000 0.956 511 T CA -0.326 61.897 62.100 0.206 0.000 0.894 511 T CB -0.032 68.998 68.868 0.271 0.000 1.160 511 T HN 0.124 nan 8.240 nan 0.000 0.532 512 L N 1.292 122.561 121.223 0.077 0.000 1.978 512 L HA -0.144 4.195 4.340 -0.001 0.000 0.218 512 L C 3.425 180.318 176.870 0.039 0.000 1.075 512 L CA 2.572 57.441 54.840 0.047 0.000 0.767 512 L CB -0.879 41.209 42.059 0.048 0.000 0.890 512 L HN 0.559 nan 8.230 nan 0.000 0.434 513 K N 0.236 120.666 120.400 0.051 0.000 2.032 513 K HA -0.300 4.020 4.320 -0.001 0.000 0.218 513 K C 1.799 178.433 176.600 0.057 0.000 1.054 513 K CA 2.324 58.643 56.287 0.054 0.000 0.941 513 K CB -1.257 31.273 32.500 0.050 0.000 0.720 513 K HN 0.447 nan 8.250 nan 0.000 0.449 514 E N 0.215 120.424 120.200 0.014 0.000 2.051 514 E HA -0.044 4.305 4.350 -0.001 0.000 0.192 514 E C 2.125 178.668 176.600 -0.096 0.000 0.991 514 E CA 1.316 57.693 56.400 -0.038 0.000 0.799 514 E CB -0.072 29.523 29.700 -0.175 0.000 0.748 514 E HN 0.523 nan 8.360 nan 0.000 0.449 515 I N 0.827 121.293 120.570 -0.173 0.000 2.286 515 I HA -0.182 3.988 4.170 -0.001 0.000 0.245 515 I C 1.998 178.104 176.117 -0.018 0.000 1.104 515 I CA 1.285 62.505 61.300 -0.133 0.000 1.397 515 I CB -1.242 36.697 38.000 -0.101 0.000 1.072 515 I HN 0.149 nan 8.210 nan 0.000 0.417 516 T N 0.682 115.247 114.554 0.019 0.000 2.643 516 T HA -0.250 4.099 4.350 -0.001 0.000 0.264 516 T C 1.882 176.622 174.700 0.067 0.000 1.045 516 T CA 1.728 63.854 62.100 0.042 0.000 1.155 516 T CB -0.599 68.303 68.868 0.056 0.000 0.863 516 T HN 0.310 nan 8.240 nan 0.000 0.420 517 Y N 2.270 122.567 120.300 -0.004 0.000 2.114 517 Y HA -0.184 4.366 4.550 -0.001 0.000 0.282 517 Y C 2.502 178.413 175.900 0.017 0.000 1.165 517 Y CA 1.186 59.290 58.100 0.008 0.000 1.148 517 Y CB -0.934 37.532 38.460 0.010 0.000 0.972 517 Y HN 0.187 nan 8.280 nan 0.000 0.504 518 A N -0.057 122.741 122.820 -0.037 0.000 1.892 518 A HA -0.317 4.002 4.320 -0.001 0.000 0.218 518 A C 2.177 179.691 177.584 -0.117 0.000 1.188 518 A CA 2.155 54.139 52.037 -0.088 0.000 0.631 518 A CB -1.000 18.044 19.000 0.073 0.000 0.822 518 A HN 0.578 nan 8.150 nan 0.000 0.447 519 Q N 0.692 120.453 119.800 -0.064 0.000 2.224 519 Q HA -0.102 4.238 4.340 -0.001 0.000 0.203 519 Q C 1.999 177.955 176.000 -0.074 0.000 0.970 519 Q CA 1.969 57.745 55.803 -0.046 0.000 0.865 519 Q CB -0.538 28.190 28.738 -0.017 0.000 0.922 519 Q HN 0.734 nan 8.270 nan 0.000 0.445 520 S N -1.293 114.339 115.700 -0.113 0.000 2.603 520 S HA 0.021 4.490 4.470 -0.001 0.000 0.229 520 S C 1.269 175.778 174.600 -0.151 0.000 0.972 520 S CA 0.309 58.444 58.200 -0.108 0.000 0.935 520 S CB -0.152 62.999 63.200 -0.080 0.000 0.769 520 S HN 0.454 nan 8.310 nan 0.000 0.536 521 L N 0.395 121.501 121.223 -0.194 0.000 2.693 521 L HA 0.358 4.698 4.340 -0.001 0.000 0.235 521 L C 0.913 177.729 176.870 -0.091 0.000 1.127 521 L CA 0.084 54.819 54.840 -0.175 0.000 0.914 521 L CB 0.603 42.510 42.059 -0.254 0.000 1.193 521 L HN 0.353 nan 8.230 nan 0.000 0.502 522 T N -1.915 112.600 114.554 -0.065 0.000 2.853 522 T HA 0.432 4.782 4.350 -0.001 0.000 0.311 522 T C 0.443 175.131 174.700 -0.020 0.000 1.307 522 T CA 0.392 62.473 62.100 -0.032 0.000 1.019 522 T CB 2.015 70.874 68.868 -0.015 0.000 1.264 522 T HN 0.042 nan 8.240 nan 0.000 0.497 523 E N 0.727 120.921 120.200 -0.009 0.000 2.400 523 E HA 0.365 4.715 4.350 -0.001 0.000 0.195 523 E C 0.984 177.587 176.600 0.006 0.000 1.012 523 E CA 0.948 57.346 56.400 -0.003 0.000 0.875 523 E CB -0.523 29.175 29.700 -0.003 0.000 0.859 523 E HN 1.037 nan 8.360 nan 0.000 0.498 524 K N 1.849 122.256 120.400 0.011 0.000 2.237 524 K HA 0.481 4.801 4.320 -0.001 0.000 0.270 524 K C -2.653 173.965 176.600 0.030 0.000 1.015 524 K CA -1.583 54.718 56.287 0.024 0.000 0.949 524 K CB -0.349 32.171 32.500 0.033 0.000 0.976 524 K HN 0.154 nan 8.250 nan 0.000 0.472 525 P HA 0.217 nan 4.420 nan 0.000 0.271 525 P C -0.932 176.395 177.300 0.045 0.000 1.220 525 P CA -0.427 62.700 63.100 0.046 0.000 0.768 525 P CB 0.893 32.636 31.700 0.071 0.000 0.848 526 V N 4.747 124.678 119.914 0.029 0.000 2.417 526 V HA 0.239 4.359 4.120 -0.001 0.000 0.291 526 V C 0.515 176.613 176.094 0.007 0.000 1.024 526 V CA -0.730 61.587 62.300 0.029 0.000 0.861 526 V CB 1.230 33.074 31.823 0.034 0.000 0.985 526 V HN 0.500 nan 8.190 nan 0.000 0.436 527 K N 3.591 123.981 120.400 -0.017 0.000 2.298 527 K HA 0.623 4.943 4.320 -0.001 0.000 0.280 527 K C 0.507 177.099 176.600 -0.013 0.000 1.032 527 K CA -0.313 55.938 56.287 -0.060 0.000 0.958 527 K CB 0.875 33.277 32.500 -0.163 0.000 0.978 527 K HN 0.698 nan 8.250 nan 0.000 0.472 528 G N 1.736 110.527 108.800 -0.014 0.000 2.594 528 G HA2 0.338 4.297 3.960 -0.001 0.000 0.243 528 G HA3 0.338 4.297 3.960 -0.001 0.000 0.243 528 G C -0.907 174.011 174.900 0.031 0.000 1.229 528 G CA -0.654 44.456 45.100 0.017 0.000 0.843 528 G HN 0.588 nan 8.290 nan 0.000 0.578 529 M N 1.257 120.910 119.600 0.089 0.000 2.098 529 M HA 0.521 5.000 4.480 -0.001 0.000 0.265 529 M C -1.192 175.225 176.300 0.197 0.000 0.940 529 M CA -0.268 55.096 55.300 0.106 0.000 1.007 529 M CB 1.013 33.681 32.600 0.112 0.000 1.823 529 M HN 0.352 nan 8.290 nan 0.000 0.453 530 L N 1.695 122.976 121.223 0.096 0.000 2.309 530 L HA 0.793 5.132 4.340 -0.001 0.000 0.261 530 L C -0.209 176.620 176.870 -0.068 0.000 1.021 530 L CA -0.956 53.865 54.840 -0.032 0.000 0.823 530 L CB 2.684 44.649 42.059 -0.156 0.000 1.366 530 L HN 0.437 nan 8.230 nan 0.000 0.423 531 T N 0.268 114.648 114.554 -0.290 0.000 2.824 531 T HA 0.463 4.812 4.350 -0.001 0.000 0.280 531 T C 0.296 174.935 174.700 -0.101 0.000 0.995 531 T CA -0.470 61.581 62.100 -0.082 0.000 1.009 531 T CB 1.688 70.595 68.868 0.065 0.000 0.955 531 T HN 0.739 nan 8.240 nan 0.000 0.452 532 G N 2.832 111.662 108.800 0.051 0.000 2.667 532 G HA2 0.311 4.271 3.960 -0.001 0.000 0.250 532 G HA3 0.311 4.271 3.960 -0.001 0.000 0.250 532 G C -1.615 173.354 174.900 0.116 0.000 1.212 532 G CA -1.188 43.966 45.100 0.091 0.000 0.874 532 G HN 0.405 nan 8.290 nan 0.000 0.561 533 P HA -0.051 nan 4.420 nan 0.000 0.216 533 P C 1.980 179.407 177.300 0.212 0.000 1.153 533 P CA 0.390 63.582 63.100 0.152 0.000 0.844 533 P CB 0.082 31.887 31.700 0.175 0.000 0.787 534 V N -0.358 119.719 119.914 0.272 0.000 2.515 534 V HA -0.181 3.938 4.120 -0.001 0.000 0.250 534 V C 2.320 178.580 176.094 0.276 0.000 1.058 534 V CA 2.324 64.798 62.300 0.290 0.000 1.064 534 V CB -1.881 30.114 31.823 0.287 0.000 0.675 534 V HN 0.179 nan 8.190 nan 0.000 0.461 535 T N 0.307 115.040 114.554 0.299 0.000 2.777 535 T HA -0.062 4.288 4.350 -0.001 0.000 0.266 535 T C 1.861 176.802 174.700 0.402 0.000 1.040 535 T CA 1.527 63.848 62.100 0.369 0.000 1.141 535 T CB -0.218 68.855 68.868 0.342 0.000 0.868 535 T HN 0.325 nan 8.240 nan 0.000 0.444 536 I N 0.700 121.445 120.570 0.293 0.000 2.163 536 I HA -0.205 3.964 4.170 -0.001 0.000 0.243 536 I C 2.595 178.880 176.117 0.279 0.000 1.085 536 I CA 1.401 62.868 61.300 0.277 0.000 1.347 536 I CB -0.335 37.783 38.000 0.197 0.000 1.044 536 I HN 0.249 nan 8.210 nan 0.000 0.408 537 M N -0.409 119.321 119.600 0.217 0.000 2.108 537 M HA -0.243 4.236 4.480 -0.001 0.000 0.261 537 M C 2.587 179.038 176.300 0.253 0.000 1.066 537 M CA 1.804 57.203 55.300 0.164 0.000 1.107 537 M CB -0.346 32.256 32.600 0.003 0.000 1.356 537 M HN 0.196 nan 8.290 nan 0.000 0.406 538 S N -0.979 114.857 115.700 0.228 0.000 2.399 538 S HA -0.153 4.316 4.470 -0.001 0.000 0.231 538 S C 1.005 175.582 174.600 -0.038 0.000 1.022 538 S CA 1.045 59.304 58.200 0.098 0.000 0.983 538 S CB -0.206 63.004 63.200 0.016 0.000 0.803 538 S HN 0.599 nan 8.310 nan 0.000 0.480 539 W N 1.834 123.235 121.300 0.168 0.000 3.330 539 W HA 0.467 5.127 4.660 -0.001 0.000 0.348 539 W C 0.491 177.094 176.519 0.140 0.000 1.205 539 W CA -0.493 56.944 57.345 0.154 0.000 1.841 539 W CB 0.081 29.611 29.460 0.117 0.000 1.084 539 W HN 0.074 nan 8.180 nan 0.000 0.665 540 S N -1.050 114.802 115.700 0.255 0.000 2.671 540 S HA 0.507 4.976 4.470 -0.001 0.000 0.299 540 S C -1.176 173.455 174.600 0.051 0.000 1.116 540 S CA -0.689 57.591 58.200 0.133 0.000 0.912 540 S CB 1.337 64.697 63.200 0.267 0.000 1.130 540 S HN -0.159 nan 8.310 nan 0.000 0.501 541 Y N 1.057 121.471 120.300 0.190 0.000 2.316 541 Y HA 0.582 5.132 4.550 -0.001 0.000 0.324 541 Y C 0.062 176.137 175.900 0.292 0.000 1.267 541 Y CA -0.628 57.508 58.100 0.061 0.000 1.311 541 Y CB 0.465 38.849 38.460 -0.128 0.000 1.267 541 Y HN 0.713 nan 8.280 nan 0.000 0.516 542 Y N -2.705 117.904 120.300 0.516 0.000 2.638 542 Y HA 0.804 5.354 4.550 -0.001 0.000 0.335 542 Y C -0.171 176.106 175.900 0.628 0.000 1.155 542 Y CA -2.273 56.130 58.100 0.506 0.000 1.046 542 Y CB 0.161 38.786 38.460 0.275 0.000 1.303 542 Y HN 0.638 nan 8.280 nan 0.000 0.460 543 R N -0.149 120.649 120.500 0.497 0.000 2.679 543 R HA 0.520 4.860 4.340 -0.001 0.000 0.268 543 R C 0.391 176.726 176.300 0.058 0.000 1.044 543 R CA 0.463 56.533 56.100 -0.051 0.000 1.105 543 R CB -0.874 29.311 30.300 -0.192 0.000 0.989 543 R HN 1.262 nan 8.270 nan 0.000 0.447 544 E N 0.611 120.728 120.200 -0.139 0.000 2.489 544 E HA 0.015 4.365 4.350 -0.001 0.000 0.204 544 E C 0.873 177.441 176.600 -0.053 0.000 1.006 544 E CA 0.595 56.989 56.400 -0.011 0.000 0.936 544 E CB 0.263 29.972 29.700 0.016 0.000 1.002 544 E HN 0.879 nan 8.360 nan 0.000 0.488 545 D N -0.651 119.674 120.400 -0.125 0.000 2.340 545 D HA 0.165 4.805 4.640 -0.001 0.000 0.220 545 D C 0.601 176.853 176.300 -0.080 0.000 1.039 545 D CA -0.172 53.766 54.000 -0.104 0.000 0.866 545 D CB 0.007 40.724 40.800 -0.139 0.000 0.913 545 D HN 0.524 nan 8.370 nan 0.000 0.523 546 I N -0.406 120.123 120.570 -0.068 0.000 2.647 546 I HA 0.427 4.596 4.170 -0.001 0.000 0.295 546 I C -2.761 173.305 176.117 -0.085 0.000 1.078 546 I CA -2.828 58.427 61.300 -0.075 0.000 1.048 546 I CB 2.335 40.289 38.000 -0.077 0.000 1.239 546 I HN -0.353 nan 8.210 nan 0.000 0.421 547 P HA 0.187 nan 4.420 nan 0.000 0.271 547 P C 0.015 177.119 177.300 -0.326 0.000 1.216 547 P CA -0.057 62.921 63.100 -0.203 0.000 0.776 547 P CB 0.612 32.173 31.700 -0.232 0.000 0.881 548 E N 2.061 122.027 120.200 -0.390 0.000 2.086 548 E HA -0.335 4.015 4.350 -0.001 0.000 0.200 548 E C 2.337 178.351 176.600 -0.976 0.000 1.012 548 E CA 2.084 58.115 56.400 -0.614 0.000 0.812 548 E CB -0.247 29.099 29.700 -0.591 0.000 0.743 548 E HN 0.431 nan 8.360 nan 0.000 0.453 549 R N 1.534 121.258 120.500 -1.293 0.000 2.105 549 R HA -0.206 4.134 4.340 -0.001 0.000 0.239 549 R C 1.851 177.530 176.300 -1.034 0.000 1.135 549 R CA 1.998 57.267 56.100 -1.385 0.000 0.967 549 R CB -1.245 28.332 30.300 -1.205 0.000 0.861 549 R HN 0.322 nan 8.270 nan 0.000 0.442 550 E N -0.114 119.692 120.200 -0.656 0.000 2.107 550 E HA -0.022 4.328 4.350 -0.001 0.000 0.191 550 E C 2.106 178.572 176.600 -0.223 0.000 0.982 550 E CA 1.123 57.300 56.400 -0.373 0.000 0.809 550 E CB -0.155 29.415 29.700 -0.217 0.000 0.756 550 E HN 0.640 nan 8.360 nan 0.000 0.459 551 I N 1.120 121.535 120.570 -0.258 0.000 2.179 551 I HA -0.271 3.898 4.170 -0.001 0.000 0.242 551 I C 2.607 178.662 176.117 -0.104 0.000 1.088 551 I CA 0.988 62.190 61.300 -0.164 0.000 1.357 551 I CB -0.401 37.473 38.000 -0.210 0.000 1.051 551 I HN 0.074 nan 8.210 nan 0.000 0.409 552 A N 0.573 123.295 122.820 -0.163 0.000 1.883 552 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 552 A C 2.240 179.968 177.584 0.241 0.000 1.186 552 A CA 1.639 53.712 52.037 0.060 0.000 0.624 552 A CB -0.957 18.151 19.000 0.180 0.000 0.822 552 A HN 0.377 nan 8.150 nan 0.000 0.444 553 Y N 0.196 120.520 120.300 0.040 0.000 2.181 553 Y HA -0.212 4.337 4.550 -0.001 0.000 0.288 553 Y C 2.671 178.580 175.900 0.015 0.000 1.146 553 Y CA 1.070 59.207 58.100 0.062 0.000 1.164 553 Y CB -1.281 37.228 38.460 0.082 0.000 0.982 553 Y HN 0.497 nan 8.280 nan 0.000 0.515 554 Q N -0.114 119.780 119.800 0.157 0.000 2.030 554 Q HA -0.194 4.145 4.340 -0.001 0.000 0.204 554 Q C 2.357 178.389 176.000 0.053 0.000 0.986 554 Q CA 2.081 57.927 55.803 0.071 0.000 0.843 554 Q CB -0.438 28.315 28.738 0.026 0.000 0.904 554 Q HN 0.446 nan 8.270 nan 0.000 0.420 555 I N 0.628 121.232 120.570 0.058 0.000 2.208 555 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 555 I C 2.440 178.578 176.117 0.036 0.000 1.097 555 I CA 1.026 62.354 61.300 0.048 0.000 1.363 555 I CB -0.473 37.565 38.000 0.064 0.000 1.051 555 I HN 0.190 nan 8.210 nan 0.000 0.413 556 A N 0.910 123.771 122.820 0.069 0.000 1.902 556 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 556 A C 2.310 179.876 177.584 -0.030 0.000 1.181 556 A CA 1.399 53.453 52.037 0.027 0.000 0.623 556 A CB -0.788 18.260 19.000 0.079 0.000 0.818 556 A HN 0.395 nan 8.150 nan 0.000 0.443 557 L N -0.948 120.264 121.223 -0.018 0.000 2.093 557 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 557 L C 3.092 179.939 176.870 -0.038 0.000 1.085 557 L CA 0.893 55.705 54.840 -0.047 0.000 0.755 557 L CB -0.570 41.468 42.059 -0.036 0.000 0.904 557 L HN 0.445 nan 8.230 nan 0.000 0.435 558 A N 0.544 123.353 122.820 -0.019 0.000 1.877 558 A HA -0.195 4.125 4.320 -0.001 0.000 0.216 558 A C 2.198 179.763 177.584 -0.032 0.000 1.186 558 A CA 1.584 53.612 52.037 -0.016 0.000 0.620 558 A CB -0.656 18.344 19.000 0.000 0.000 0.822 558 A HN 0.344 nan 8.150 nan 0.000 0.443 559 I N -0.061 120.476 120.570 -0.056 0.000 2.286 559 I HA -0.258 3.911 4.170 -0.001 0.000 0.248 559 I C 2.447 178.511 176.117 -0.088 0.000 1.115 559 I CA 1.421 62.663 61.300 -0.096 0.000 1.392 559 I CB -0.404 37.515 38.000 -0.136 0.000 1.065 559 I HN 0.492 nan 8.210 nan 0.000 0.418 560 N N 0.673 119.322 118.700 -0.086 0.000 2.309 560 N HA -0.194 4.545 4.740 -0.001 0.000 0.182 560 N C 1.676 177.151 175.510 -0.058 0.000 1.018 560 N CA 0.904 53.902 53.050 -0.086 0.000 0.876 560 N CB 0.178 38.604 38.487 -0.102 0.000 0.972 560 N HN 0.294 nan 8.380 nan 0.000 0.434 561 E N 1.136 121.310 120.200 -0.043 0.000 2.085 561 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 561 E C 1.693 178.285 176.600 -0.013 0.000 0.994 561 E CA 1.017 57.402 56.400 -0.025 0.000 0.801 561 E CB -0.291 29.401 29.700 -0.014 0.000 0.743 561 E HN 0.452 nan 8.360 nan 0.000 0.453 562 E N 0.570 120.764 120.200 -0.010 0.000 2.077 562 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 562 E C 2.109 178.709 176.600 -0.000 0.000 0.989 562 E CA 0.883 57.288 56.400 0.010 0.000 0.800 562 E CB -0.096 29.617 29.700 0.023 0.000 0.746 562 E HN 0.007 nan 8.360 nan 0.000 0.452 563 V N 1.032 120.930 119.914 -0.025 0.000 2.287 563 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 563 V C 2.211 178.295 176.094 -0.018 0.000 1.053 563 V CA 2.319 64.602 62.300 -0.028 0.000 1.027 563 V CB -0.499 31.291 31.823 -0.054 0.000 0.646 563 V HN 0.273 nan 8.190 nan 0.000 0.447 564 K N -0.190 120.196 120.400 -0.022 0.000 2.032 564 K HA -0.213 4.106 4.320 -0.001 0.000 0.209 564 K C 1.956 178.554 176.600 -0.005 0.000 1.048 564 K CA 1.844 58.122 56.287 -0.016 0.000 0.927 564 K CB -0.438 32.050 32.500 -0.020 0.000 0.712 564 K HN 0.424 nan 8.250 nan 0.000 0.441 565 D N 1.110 121.510 120.400 0.001 0.000 2.133 565 D HA -0.157 4.482 4.640 -0.001 0.000 0.195 565 D C 1.936 178.243 176.300 0.013 0.000 0.997 565 D CA 1.027 55.032 54.000 0.010 0.000 0.840 565 D CB -0.225 40.586 40.800 0.018 0.000 0.947 565 D HN 0.126 nan 8.370 nan 0.000 0.452 566 L N 0.589 121.820 121.223 0.013 0.000 2.046 566 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 566 L C 2.371 179.246 176.870 0.009 0.000 1.077 566 L CA 1.148 55.996 54.840 0.013 0.000 0.747 566 L CB -0.307 41.760 42.059 0.013 0.000 0.896 566 L HN 0.019 nan 8.230 nan 0.000 0.432 567 E N -0.037 120.165 120.200 0.004 0.000 2.077 567 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 567 E C 2.363 178.966 176.600 0.005 0.000 0.989 567 E CA 1.423 57.825 56.400 0.004 0.000 0.800 567 E CB -0.074 29.625 29.700 -0.001 0.000 0.746 567 E HN 0.600 nan 8.360 nan 0.000 0.452 568 E N 0.802 121.005 120.200 0.005 0.000 2.110 568 E HA -0.068 4.281 4.350 -0.001 0.000 0.193 568 E C 1.837 178.442 176.600 0.009 0.000 0.988 568 E CA 1.272 57.675 56.400 0.006 0.000 0.804 568 E CB -0.641 29.062 29.700 0.006 0.000 0.745 568 E HN 0.321 nan 8.360 nan 0.000 0.458 569 A N -1.010 121.817 122.820 0.011 0.000 2.235 569 A HA 0.471 4.791 4.320 -0.001 0.000 0.208 569 A C 2.179 179.770 177.584 0.012 0.000 1.172 569 A CA 1.234 53.279 52.037 0.014 0.000 0.786 569 A CB -0.502 18.508 19.000 0.018 0.000 0.804 569 A HN 1.566 nan 8.150 nan 0.000 0.479 570 G N -0.969 107.837 108.800 0.010 0.000 2.141 570 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.231 570 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.231 570 G C -0.053 174.853 174.900 0.010 0.000 0.984 570 G CA -0.009 45.096 45.100 0.009 0.000 0.660 570 G HN 0.302 nan 8.290 nan 0.000 0.525 571 I N 1.102 121.678 120.570 0.010 0.000 2.517 571 I HA 0.175 4.344 4.170 -0.001 0.000 0.285 571 I C 1.466 177.591 176.117 0.013 0.000 1.106 571 I CA 0.246 61.552 61.300 0.009 0.000 1.402 571 I CB 0.964 38.968 38.000 0.006 0.000 1.399 571 I HN 0.154 nan 8.210 nan 0.000 0.535 572 K N 5.709 126.120 120.400 0.019 0.000 2.314 572 K HA 0.294 4.614 4.320 -0.001 0.000 0.198 572 K C 0.234 176.857 176.600 0.038 0.000 1.045 572 K CA 0.767 57.072 56.287 0.031 0.000 0.988 572 K CB 0.531 33.056 32.500 0.041 0.000 0.783 572 K HN 0.450 nan 8.250 nan 0.000 0.484 573 I N 1.455 122.032 120.570 0.013 0.000 2.499 573 I HA 0.216 4.386 4.170 -0.001 0.000 0.288 573 I C -1.060 175.027 176.117 -0.050 0.000 1.048 573 I CA -1.062 60.224 61.300 -0.023 0.000 1.062 573 I CB 2.439 40.373 38.000 -0.110 0.000 1.238 573 I HN -0.327 nan 8.210 nan 0.000 0.426 574 V N 5.604 125.504 119.914 -0.024 0.000 2.531 574 V HA 0.356 4.475 4.120 -0.001 0.000 0.301 574 V C -0.360 175.735 176.094 0.001 0.000 1.034 574 V CA -0.617 61.673 62.300 -0.017 0.000 0.865 574 V CB 1.803 33.625 31.823 -0.001 0.000 0.995 574 V HN 0.748 nan 8.190 nan 0.000 0.424 575 Q N 4.147 123.937 119.800 -0.016 0.000 2.241 575 Q HA 0.697 5.036 4.340 -0.001 0.000 0.254 575 Q C -1.355 174.672 176.000 0.044 0.000 0.917 575 Q CA -0.527 55.295 55.803 0.031 0.000 0.919 575 Q CB 1.588 30.315 28.738 -0.018 0.000 1.237 575 Q HN 0.762 nan 8.270 nan 0.000 0.434 576 I N 4.003 124.628 120.570 0.092 0.000 2.448 576 I HA 0.238 4.407 4.170 -0.001 0.000 0.281 576 I C -1.050 175.176 176.117 0.181 0.000 1.027 576 I CA -0.848 60.503 61.300 0.085 0.000 1.111 576 I CB 1.640 39.630 38.000 -0.018 0.000 1.236 576 I HN 0.529 nan 8.210 nan 0.000 0.452 577 D N 6.124 126.605 120.400 0.135 0.000 2.316 577 D HA 0.155 4.795 4.640 -0.001 0.000 0.245 577 D C 0.122 176.537 176.300 0.191 0.000 1.171 577 D CA 0.105 54.198 54.000 0.156 0.000 0.856 577 D CB 1.830 42.703 40.800 0.123 0.000 1.090 577 D HN 0.425 nan 8.370 nan 0.000 0.476 578 E N 2.760 123.084 120.200 0.206 0.000 3.786 578 E HA 0.247 4.596 4.350 -0.001 0.000 0.215 578 E C -2.057 174.697 176.600 0.256 0.000 1.188 578 E CA -1.753 54.807 56.400 0.267 0.000 1.248 578 E CB 0.856 30.770 29.700 0.355 0.000 1.260 578 E HN 0.047 nan 8.360 nan 0.000 0.426 579 P HA -0.152 nan 4.420 nan 0.000 0.218 579 P C 0.809 178.331 177.300 0.369 0.000 1.148 579 P CA 1.223 64.432 63.100 0.181 0.000 0.822 579 P CB 0.263 32.082 31.700 0.197 0.000 0.784 580 A N -1.965 121.079 122.820 0.374 0.000 2.239 580 A HA -0.087 4.233 4.320 -0.001 0.000 0.209 580 A C 1.769 179.534 177.584 0.302 0.000 1.171 580 A CA 0.178 52.402 52.037 0.312 0.000 0.768 580 A CB -1.682 17.480 19.000 0.271 0.000 0.790 580 A HN 0.060 nan 8.150 nan 0.000 0.478 581 F N 1.036 121.140 119.950 0.258 0.000 2.043 581 F HA -0.260 4.267 4.527 -0.001 0.000 0.297 581 F C 2.361 178.238 175.800 0.129 0.000 1.118 581 F CA 2.469 60.599 58.000 0.216 0.000 1.202 581 F CB -0.130 39.040 39.000 0.284 0.000 0.965 581 F HN 0.278 nan 8.300 nan 0.000 0.482 582 R N 0.341 120.870 120.500 0.049 0.000 2.100 582 R HA -0.060 4.280 4.340 -0.001 0.000 0.220 582 R C 2.078 178.160 176.300 -0.363 0.000 1.091 582 R CA 1.309 57.186 56.100 -0.371 0.000 0.986 582 R CB -0.302 29.540 30.300 -0.763 0.000 0.888 582 R HN 0.416 nan 8.270 nan 0.000 0.444 583 E N 0.331 120.472 120.200 -0.098 0.000 2.204 583 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 583 E C 1.516 177.991 176.600 -0.208 0.000 0.990 583 E CA 0.979 57.331 56.400 -0.081 0.000 0.821 583 E CB 0.066 29.818 29.700 0.085 0.000 0.750 583 E HN 0.143 nan 8.360 nan 0.000 0.477 584 K N 0.842 121.080 120.400 -0.270 0.000 2.444 584 K HA 0.152 4.472 4.320 -0.001 0.000 0.193 584 K C 0.047 176.093 176.600 -0.924 0.000 1.024 584 K CA -0.115 55.957 56.287 -0.359 0.000 1.077 584 K CB 0.315 32.757 32.500 -0.096 0.000 0.833 584 K HN 0.008 nan 8.250 nan 0.000 0.517 585 A N 2.384 124.452 122.820 -1.252 0.000 2.483 585 A HA 0.200 4.520 4.320 -0.001 0.000 0.238 585 A C -2.254 174.854 177.584 -0.793 0.000 1.070 585 A CA -1.054 49.939 52.037 -1.740 0.000 0.770 585 A CB -0.192 17.763 19.000 -1.741 0.000 1.008 585 A HN 0.149 nan 8.150 nan 0.000 0.497 586 P HA 0.066 nan 4.420 nan 0.000 0.268 586 P C 0.783 178.177 177.300 0.156 0.000 1.208 586 P CA -0.076 62.980 63.100 -0.074 0.000 0.777 586 P CB 0.318 32.062 31.700 0.073 0.000 0.875 587 I N -0.046 120.603 120.570 0.131 0.000 2.286 587 I HA -0.182 3.988 4.170 -0.001 0.000 0.248 587 I C 1.001 177.213 176.117 0.158 0.000 1.115 587 I CA 1.471 62.870 61.300 0.165 0.000 1.392 587 I CB -0.385 37.711 38.000 0.160 0.000 1.065 587 I HN 0.267 nan 8.210 nan 0.000 0.418 588 K N 1.831 122.315 120.400 0.140 0.000 2.285 588 K HA 0.113 4.433 4.320 -0.001 0.000 0.286 588 K C 0.825 177.418 176.600 -0.011 0.000 1.072 588 K CA -0.460 55.866 56.287 0.065 0.000 0.913 588 K CB 1.175 33.724 32.500 0.080 0.000 1.067 588 K HN -0.035 nan 8.250 nan 0.000 0.479 589 K N 1.005 121.242 120.400 -0.271 0.000 2.113 589 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 589 K C 1.952 178.411 176.600 -0.235 0.000 1.047 589 K CA 1.824 57.704 56.287 -0.677 0.000 0.928 589 K CB -0.307 31.824 32.500 -0.616 0.000 0.716 589 K HN 0.684 nan 8.250 nan 0.000 0.446 590 S N 1.086 116.751 115.700 -0.059 0.000 2.419 590 S HA -0.122 4.348 4.470 -0.001 0.000 0.235 590 S C 1.617 176.297 174.600 0.133 0.000 1.019 590 S CA 1.074 59.300 58.200 0.044 0.000 0.982 590 S CB -0.127 63.102 63.200 0.047 0.000 0.789 590 S HN 0.313 nan 8.310 nan 0.000 0.490 591 K N -0.790 119.719 120.400 0.183 0.000 2.426 591 K HA 0.099 4.418 4.320 -0.001 0.000 0.193 591 K C 1.254 178.072 176.600 0.363 0.000 1.028 591 K CA 0.115 56.548 56.287 0.243 0.000 1.047 591 K CB -0.090 32.535 32.500 0.210 0.000 0.821 591 K HN 0.371 nan 8.250 nan 0.000 0.513 592 W N 1.851 123.215 121.300 0.108 0.000 2.333 592 W HA -0.079 4.580 4.660 -0.001 0.000 0.316 592 W C -0.931 175.711 176.519 0.204 0.000 1.215 592 W CA 0.614 58.058 57.345 0.165 0.000 1.278 592 W CB -1.866 27.753 29.460 0.266 0.000 1.154 592 W HN 0.056 nan 8.180 nan 0.000 0.486 593 P HA -0.196 nan 4.420 nan 0.000 0.216 593 P C 1.619 179.046 177.300 0.211 0.000 1.157 593 P CA 3.681 66.992 63.100 0.351 0.000 0.880 593 P CB -0.360 31.527 31.700 0.311 0.000 0.791 594 E N -0.928 119.390 120.200 0.196 0.000 2.077 594 E HA -0.259 4.090 4.350 -0.001 0.000 0.193 594 E C 1.985 178.641 176.600 0.093 0.000 0.989 594 E CA 1.445 57.945 56.400 0.167 0.000 0.800 594 E CB -1.989 27.826 29.700 0.191 0.000 0.746 594 E HN 0.390 nan 8.360 nan 0.000 0.452 595 Y N -0.131 120.092 120.300 -0.129 0.000 2.114 595 Y HA -0.100 4.449 4.550 -0.001 0.000 0.284 595 Y C 2.153 177.472 175.900 -0.968 0.000 1.143 595 Y CA 2.171 59.935 58.100 -0.560 0.000 1.135 595 Y CB -0.525 37.534 38.460 -0.669 0.000 0.980 595 Y HN 0.207 nan 8.280 nan 0.000 0.499 596 F N 0.843 120.288 119.950 -0.840 0.000 2.269 596 F HA -0.085 4.441 4.527 -0.001 0.000 0.301 596 F C 2.702 178.177 175.800 -0.541 0.000 1.082 596 F CA 1.589 59.007 58.000 -0.970 0.000 1.360 596 F CB -0.985 37.322 39.000 -1.155 0.000 1.041 596 F HN 0.304 nan 8.300 nan 0.000 0.512 597 E N 1.315 121.428 120.200 -0.145 0.000 2.049 597 E HA -0.279 4.070 4.350 -0.001 0.000 0.198 597 E C 1.859 178.486 176.600 0.046 0.000 1.007 597 E CA 1.866 58.279 56.400 0.021 0.000 0.809 597 E CB -1.799 27.957 29.700 0.095 0.000 0.749 597 E HN 0.747 nan 8.360 nan 0.000 0.450 598 W N -0.631 120.626 121.300 -0.071 0.000 2.576 598 W HA 0.466 5.126 4.660 -0.001 0.000 0.270 598 W C 2.201 178.736 176.519 0.027 0.000 1.255 598 W CA 0.801 58.159 57.345 0.021 0.000 1.314 598 W CB -0.430 28.989 29.460 -0.070 0.000 1.101 598 W HN 0.389 nan 8.180 nan 0.000 0.595 599 A N 2.212 124.562 122.820 -0.783 0.000 1.902 599 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 599 A C 2.127 179.785 177.584 0.124 0.000 1.181 599 A CA 2.083 53.763 52.037 -0.595 0.000 0.623 599 A CB -0.962 17.222 19.000 -1.361 0.000 0.818 599 A HN 0.309 nan 8.150 nan 0.000 0.443 600 I N -0.033 120.641 120.570 0.173 0.000 2.142 600 I HA -0.279 3.890 4.170 -0.001 0.000 0.240 600 I C 2.240 178.559 176.117 0.337 0.000 1.078 600 I CA 1.336 62.839 61.300 0.337 0.000 1.343 600 I CB -0.489 37.682 38.000 0.284 0.000 1.046 600 I HN 0.294 nan 8.210 nan 0.000 0.405 601 N N 1.143 120.029 118.700 0.311 0.000 2.069 601 N HA -0.172 4.568 4.740 -0.001 0.000 0.191 601 N C 1.883 177.629 175.510 0.394 0.000 1.031 601 N CA 1.758 55.031 53.050 0.372 0.000 0.852 601 N CB -0.513 38.130 38.487 0.259 0.000 1.018 601 N HN 0.382 nan 8.380 nan 0.000 0.423 602 A N 0.486 123.611 122.820 0.508 0.000 1.883 602 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 602 A C 2.190 179.954 177.584 0.299 0.000 1.186 602 A CA 1.215 53.529 52.037 0.463 0.000 0.624 602 A CB -1.085 18.265 19.000 0.584 0.000 0.822 602 A HN 0.334 nan 8.150 nan 0.000 0.444 603 F N 1.326 121.398 119.950 0.203 0.000 2.134 603 F HA -0.209 4.318 4.527 -0.001 0.000 0.299 603 F C 1.997 177.849 175.800 0.086 0.000 1.097 603 F CA 2.082 60.160 58.000 0.130 0.000 1.264 603 F CB -0.171 38.892 39.000 0.104 0.000 1.001 603 F HN 0.210 nan 8.300 nan 0.000 0.479 604 N N 0.717 119.595 118.700 0.296 0.000 2.244 604 N HA -0.130 4.610 4.740 -0.001 0.000 0.183 604 N C 2.019 177.508 175.510 -0.035 0.000 1.016 604 N CA 1.241 54.383 53.050 0.153 0.000 0.866 604 N CB -0.502 38.118 38.487 0.221 0.000 0.980 604 N HN 0.369 nan 8.380 nan 0.000 0.430 605 L N 0.421 121.606 121.223 -0.064 0.000 2.017 605 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 605 L C 2.343 179.107 176.870 -0.176 0.000 1.073 605 L CA 1.157 55.879 54.840 -0.197 0.000 0.745 605 L CB -0.503 41.407 42.059 -0.247 0.000 0.894 605 L HN 0.122 nan 8.230 nan 0.000 0.432 606 A N -0.068 122.645 122.820 -0.179 0.000 1.902 606 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 606 A C 2.186 179.607 177.584 -0.271 0.000 1.181 606 A CA 1.676 53.580 52.037 -0.222 0.000 0.623 606 A CB -0.553 18.292 19.000 -0.258 0.000 0.818 606 A HN 0.399 nan 8.150 nan 0.000 0.443 607 A N -0.509 122.091 122.820 -0.366 0.000 2.337 607 A HA 0.205 4.525 4.320 -0.001 0.000 0.227 607 A C 0.690 178.194 177.584 -0.134 0.000 1.259 607 A CA 0.018 51.876 52.037 -0.298 0.000 0.870 607 A CB -0.847 17.892 19.000 -0.435 0.000 0.927 607 A HN 0.459 nan 8.150 nan 0.000 0.497 608 N N 1.473 120.097 118.700 -0.127 0.000 2.410 608 N HA 0.370 5.110 4.740 -0.001 0.000 0.281 608 N C -0.246 175.222 175.510 -0.069 0.000 1.241 608 N CA 0.657 53.652 53.050 -0.091 0.000 0.998 608 N CB 0.021 38.436 38.487 -0.120 0.000 1.376 608 N HN 0.386 nan 8.380 nan 0.000 0.490 609 A N 1.935 124.729 122.820 -0.042 0.000 2.380 609 A HA 0.839 5.159 4.320 -0.001 0.000 0.315 609 A C 0.385 177.959 177.584 -0.017 0.000 1.101 609 A CA -0.711 51.309 52.037 -0.027 0.000 0.771 609 A CB 0.753 19.746 19.000 -0.012 0.000 1.287 609 A HN 0.830 nan 8.150 nan 0.000 0.436 610 R N 1.272 121.764 120.500 -0.014 0.000 2.758 610 R HA 0.294 4.633 4.340 -0.001 0.000 0.263 610 R C -1.919 174.379 176.300 -0.004 0.000 1.010 610 R CA 0.297 56.391 56.100 -0.010 0.000 1.114 610 R CB -1.597 28.699 30.300 -0.008 0.000 0.985 610 R HN 0.649 nan 8.270 nan 0.000 0.439 611 P HA -0.148 nan 4.420 nan 0.000 0.216 611 P C 1.458 178.755 177.300 -0.006 0.000 1.150 611 P CA 2.038 65.131 63.100 -0.012 0.000 0.843 611 P CB 0.200 31.888 31.700 -0.020 0.000 0.787 612 E N -0.724 119.476 120.200 -0.001 0.000 2.347 612 E HA -0.048 4.302 4.350 -0.001 0.000 0.196 612 E C 0.852 177.466 176.600 0.024 0.000 1.008 612 E CA 0.889 57.293 56.400 0.007 0.000 0.852 612 E CB -1.441 28.262 29.700 0.005 0.000 0.783 612 E HN 0.258 nan 8.360 nan 0.000 0.505 613 T N 1.375 115.945 114.554 0.026 0.000 2.728 613 T HA 0.338 4.688 4.350 -0.001 0.000 0.296 613 T C -0.056 174.688 174.700 0.073 0.000 0.940 613 T CA -0.362 61.764 62.100 0.042 0.000 1.013 613 T CB 1.184 70.068 68.868 0.028 0.000 0.912 613 T HN 0.410 nan 8.240 nan 0.000 0.484 614 Q N 3.857 123.723 119.800 0.110 0.000 2.307 614 Q HA 0.231 4.571 4.340 -0.001 0.000 0.259 614 Q C -0.607 175.531 176.000 0.229 0.000 0.998 614 Q CA -0.475 55.438 55.803 0.183 0.000 0.923 614 Q CB 0.318 29.210 28.738 0.256 0.000 1.196 614 Q HN 0.499 nan 8.270 nan 0.000 0.416 615 I N 4.966 125.673 120.570 0.229 0.000 2.331 615 I HA 0.216 4.385 4.170 -0.001 0.000 0.292 615 I C 0.210 176.518 176.117 0.318 0.000 0.998 615 I CA -0.156 61.289 61.300 0.241 0.000 1.267 615 I CB 0.823 38.941 38.000 0.197 0.000 1.386 615 I HN 0.642 nan 8.210 nan 0.000 0.476 616 H N 4.443 123.537 119.070 0.040 0.000 2.472 616 H HA 0.684 5.239 4.556 -0.001 0.000 0.338 616 H C -0.448 174.886 175.328 0.011 0.000 1.133 616 H CA -0.871 55.152 56.048 -0.042 0.000 1.216 616 H CB 2.381 32.053 29.762 -0.151 0.000 1.497 616 H HN 0.701 nan 8.280 nan 0.000 0.500 617 A N 2.583 125.387 122.820 -0.027 0.000 2.343 617 A HA 0.272 4.592 4.320 -0.001 0.000 0.308 617 A C -1.321 176.185 177.584 -0.130 0.000 1.092 617 A CA -0.599 51.410 52.037 -0.046 0.000 0.751 617 A CB 0.820 19.698 19.000 -0.203 0.000 1.203 617 A HN 0.821 nan 8.150 nan 0.000 0.452 618 H N 2.899 121.902 119.070 -0.111 0.000 2.467 618 H HA 0.703 5.259 4.556 -0.001 0.000 0.326 618 H C -0.663 174.592 175.328 -0.121 0.000 1.094 618 H CA -0.517 55.454 56.048 -0.128 0.000 1.253 618 H CB 0.717 30.417 29.762 -0.103 0.000 1.439 618 H HN 0.514 nan 8.280 nan 0.000 0.479 619 M N 4.906 124.064 119.600 -0.738 0.000 2.259 619 M HA 0.180 4.659 4.480 -0.001 0.000 0.304 619 M C -0.015 175.822 176.300 -0.773 0.000 1.019 619 M CA -0.564 54.377 55.300 -0.600 0.000 0.922 619 M CB 1.597 34.178 32.600 -0.033 0.000 1.600 619 M HN 0.717 nan 8.290 nan 0.000 0.433 620 C N 1.572 120.389 119.300 -0.806 0.000 2.626 620 C HA 0.142 4.601 4.460 -0.001 0.000 0.266 620 C C 0.747 175.563 174.990 -0.290 0.000 1.317 620 C CA -0.381 58.382 59.018 -0.426 0.000 1.716 620 C CB -1.426 26.196 27.740 -0.197 0.000 1.819 620 C HN 0.632 nan 8.230 nan 0.000 0.578 621 Y N 1.491 121.689 120.300 -0.170 0.000 2.597 621 Y HA 0.057 4.607 4.550 -0.001 0.000 0.336 621 Y C 1.818 177.575 175.900 -0.239 0.000 1.216 621 Y CA 0.187 58.108 58.100 -0.298 0.000 1.463 621 Y CB 0.394 38.481 38.460 -0.622 0.000 1.303 621 Y HN 0.211 nan 8.280 nan 0.000 0.576 622 S N -0.239 115.478 115.700 0.029 0.000 2.522 622 S HA 0.183 4.653 4.470 -0.001 0.000 0.227 622 S C 0.241 174.869 174.600 0.047 0.000 0.986 622 S CA 0.482 58.706 58.200 0.040 0.000 0.929 622 S CB -0.750 62.467 63.200 0.028 0.000 0.769 622 S HN 0.813 nan 8.310 nan 0.000 0.529 623 D N -0.441 119.934 120.400 -0.041 0.000 2.787 623 D HA 0.577 5.216 4.640 -0.001 0.000 0.215 623 D C -0.757 175.469 176.300 -0.123 0.000 1.246 623 D CA -0.741 53.276 54.000 0.028 0.000 0.798 623 D CB -0.082 40.744 40.800 0.043 0.000 1.649 623 D HN 0.092 nan 8.370 nan 0.000 0.507 624 F N 0.599 120.571 119.950 0.036 0.000 2.661 624 F HA 0.198 4.725 4.527 -0.001 0.000 0.306 624 F C 2.140 177.877 175.800 -0.105 0.000 1.094 624 F CA -0.411 57.565 58.000 -0.040 0.000 1.254 624 F CB 0.619 39.513 39.000 -0.176 0.000 1.040 624 F HN 0.469 nan 8.300 nan 0.000 0.562 625 N N 1.132 119.878 118.700 0.076 0.000 2.120 625 N HA -0.188 4.551 4.740 -0.001 0.000 0.188 625 N C 2.113 177.652 175.510 0.049 0.000 1.024 625 N CA 1.760 54.832 53.050 0.036 0.000 0.852 625 N CB -0.135 38.373 38.487 0.036 0.000 1.003 625 N HN 0.517 nan 8.380 nan 0.000 0.424 626 E N 1.158 121.410 120.200 0.087 0.000 2.358 626 E HA -0.008 4.342 4.350 -0.001 0.000 0.195 626 E C 1.697 178.419 176.600 0.203 0.000 1.010 626 E CA 0.856 57.349 56.400 0.154 0.000 0.856 626 E CB -0.673 29.167 29.700 0.233 0.000 0.795 626 E HN 0.676 nan 8.360 nan 0.000 0.504 627 I N -4.172 116.472 120.570 0.124 0.000 4.240 627 I HA 0.366 4.536 4.170 -0.001 0.000 0.331 627 I C 1.979 178.129 176.117 0.055 0.000 1.381 627 I CA -0.325 61.039 61.300 0.107 0.000 1.136 627 I CB 0.618 38.654 38.000 0.062 0.000 1.137 627 I HN 0.042 nan 8.210 nan 0.000 0.411 628 I N 3.354 123.915 120.570 -0.014 0.000 2.264 628 I HA -0.296 3.874 4.170 -0.001 0.000 0.248 628 I C 2.479 178.499 176.117 -0.162 0.000 1.111 628 I CA 2.118 63.336 61.300 -0.137 0.000 1.382 628 I CB -0.260 37.597 38.000 -0.239 0.000 1.060 628 I HN 0.457 nan 8.210 nan 0.000 0.418 629 E N -1.004 119.110 120.200 -0.143 0.000 2.153 629 E HA -0.268 4.081 4.350 -0.001 0.000 0.194 629 E C 2.024 178.505 176.600 -0.198 0.000 0.988 629 E CA 1.756 58.064 56.400 -0.152 0.000 0.811 629 E CB -0.766 28.733 29.700 -0.335 0.000 0.746 629 E HN 0.638 nan 8.360 nan 0.000 0.466 630 Y N 0.810 121.105 120.300 -0.009 0.000 2.314 630 Y HA 0.005 4.554 4.550 -0.001 0.000 0.294 630 Y C 2.401 178.403 175.900 0.170 0.000 1.119 630 Y CA -0.023 58.088 58.100 0.018 0.000 1.179 630 Y CB 0.041 38.300 38.460 -0.335 0.000 1.025 630 Y HN -0.023 nan 8.280 nan 0.000 0.541 631 I N 0.248 121.006 120.570 0.313 0.000 2.248 631 I HA -0.359 3.811 4.170 -0.001 0.000 0.248 631 I C 2.184 178.388 176.117 0.145 0.000 1.107 631 I CA 1.997 63.446 61.300 0.249 0.000 1.373 631 I CB -1.154 37.020 38.000 0.291 0.000 1.055 631 I HN 0.362 nan 8.210 nan 0.000 0.418 632 H N 1.294 120.330 119.070 -0.057 0.000 2.521 632 H HA -0.106 4.450 4.556 -0.001 0.000 0.286 632 H C 1.913 177.145 175.328 -0.160 0.000 1.034 632 H CA 1.298 57.226 56.048 -0.200 0.000 1.278 632 H CB 0.093 29.703 29.762 -0.255 0.000 1.386 632 H HN 0.433 nan 8.280 nan 0.000 0.567 633 Q N -0.336 119.420 119.800 -0.073 0.000 2.319 633 Q HA 0.170 4.510 4.340 -0.001 0.000 0.202 633 Q C -0.104 175.834 176.000 -0.102 0.000 0.896 633 Q CA -0.155 55.604 55.803 -0.073 0.000 0.942 633 Q CB 0.813 29.609 28.738 0.097 0.000 1.083 633 Q HN 0.395 nan 8.270 nan 0.000 0.510 634 L N 1.357 122.465 121.223 -0.191 0.000 2.395 634 L HA 0.112 4.452 4.340 -0.001 0.000 0.269 634 L C 1.054 177.719 176.870 -0.342 0.000 1.133 634 L CA -0.251 54.471 54.840 -0.197 0.000 0.812 634 L CB 0.659 42.535 42.059 -0.304 0.000 1.125 634 L HN 0.039 nan 8.230 nan 0.000 0.452 635 E N 2.588 122.786 120.200 -0.002 0.000 2.335 635 E HA 0.075 4.424 4.350 -0.001 0.000 0.191 635 E C -0.174 176.446 176.600 0.034 0.000 1.077 635 E CA -0.157 56.218 56.400 -0.042 0.000 1.010 635 E CB -0.184 29.553 29.700 0.062 0.000 1.141 635 E HN 0.394 nan 8.360 nan 0.000 0.452 636 F N -0.973 119.061 119.950 0.141 0.000 2.399 636 F HA 0.267 4.794 4.527 -0.001 0.000 0.313 636 F C 0.958 176.771 175.800 0.022 0.000 1.202 636 F CA -0.429 57.634 58.000 0.106 0.000 1.192 636 F CB 0.747 39.785 39.000 0.063 0.000 1.256 636 F HN -0.296 nan 8.300 nan 0.000 0.558 637 D N 0.090 120.704 120.400 0.356 0.000 2.422 637 D HA 0.140 4.779 4.640 -0.001 0.000 0.218 637 D C -0.251 176.215 176.300 0.276 0.000 1.047 637 D CA 0.761 54.958 54.000 0.328 0.000 0.885 637 D CB 1.191 42.171 40.800 0.301 0.000 1.035 637 D HN 0.240 nan 8.370 nan 0.000 0.502 638 V N 1.996 121.960 119.914 0.083 0.000 2.638 638 V HA 0.413 4.532 4.120 -0.001 0.000 0.306 638 V C -0.530 175.281 176.094 -0.471 0.000 1.052 638 V CA -0.905 61.196 62.300 -0.333 0.000 0.885 638 V CB 2.979 34.094 31.823 -1.179 0.000 0.999 638 V HN -0.030 nan 8.190 nan 0.000 0.424 639 I N 4.177 124.439 120.570 -0.512 0.000 2.406 639 I HA 0.637 4.807 4.170 -0.001 0.000 0.290 639 I C 0.243 176.097 176.117 -0.439 0.000 0.999 639 I CA -0.069 60.823 61.300 -0.680 0.000 1.124 639 I CB 1.871 39.310 38.000 -0.936 0.000 1.289 639 I HN 0.782 nan 8.210 nan 0.000 0.441 640 S N 8.130 123.644 115.700 -0.310 0.000 2.480 640 S HA 0.710 5.179 4.470 -0.001 0.000 0.286 640 S C -0.319 174.193 174.600 -0.148 0.000 1.180 640 S CA -0.735 57.371 58.200 -0.156 0.000 1.075 640 S CB 1.236 64.450 63.200 0.023 0.000 0.996 640 S HN 0.624 nan 8.310 nan 0.000 0.487 641 I N -1.264 119.219 120.570 -0.144 0.000 2.957 641 I HA 0.605 4.775 4.170 -0.001 0.000 0.310 641 I C -0.715 175.413 176.117 0.018 0.000 1.063 641 I CA -1.220 60.032 61.300 -0.079 0.000 1.033 641 I CB 2.016 39.913 38.000 -0.171 0.000 1.230 641 I HN 0.542 nan 8.210 nan 0.000 0.447 642 E N 2.830 123.075 120.200 0.075 0.000 1.986 642 E HA 0.392 4.741 4.350 -0.001 0.000 0.264 642 E C 0.226 176.868 176.600 0.070 0.000 1.023 642 E CA -0.404 56.036 56.400 0.067 0.000 0.834 642 E CB 1.581 31.318 29.700 0.062 0.000 1.111 642 E HN 0.764 nan 8.360 nan 0.000 0.417 643 A N 2.312 125.159 122.820 0.045 0.000 2.220 643 A HA -0.066 4.254 4.320 -0.001 0.000 0.211 643 A C 2.146 179.755 177.584 0.043 0.000 1.176 643 A CA 0.534 52.596 52.037 0.042 0.000 0.834 643 A CB 0.023 19.029 19.000 0.010 0.000 0.868 643 A HN 0.531 nan 8.150 nan 0.000 0.488 644 S N 0.636 116.364 115.700 0.047 0.000 2.359 644 S HA -0.201 4.269 4.470 -0.001 0.000 0.224 644 S C 2.232 176.859 174.600 0.045 0.000 1.035 644 S CA 1.821 60.053 58.200 0.055 0.000 1.018 644 S CB -0.715 62.532 63.200 0.077 0.000 0.876 644 S HN 0.730 nan 8.310 nan 0.000 0.448 645 R N 1.386 121.912 120.500 0.043 0.000 2.120 645 R HA 0.087 4.426 4.340 -0.001 0.000 0.234 645 R C 2.514 178.828 176.300 0.023 0.000 1.123 645 R CA 1.918 58.038 56.100 0.032 0.000 0.975 645 R CB -1.797 28.521 30.300 0.030 0.000 0.866 645 R HN 0.951 nan 8.270 nan 0.000 0.446 646 S N -0.607 115.111 115.700 0.030 0.000 2.605 646 S HA 0.159 4.629 4.470 -0.001 0.000 0.217 646 S C 0.597 175.210 174.600 0.023 0.000 0.958 646 S CA 0.331 58.546 58.200 0.026 0.000 0.919 646 S CB -0.071 63.154 63.200 0.042 0.000 0.780 646 S HN 0.594 nan 8.310 nan 0.000 0.507 647 K N 0.518 120.931 120.400 0.022 0.000 3.016 647 K HA -0.218 4.102 4.320 -0.001 0.000 0.262 647 K C 0.946 177.555 176.600 0.015 0.000 1.043 647 K CA 0.462 56.759 56.287 0.017 0.000 0.761 647 K CB -1.972 30.534 32.500 0.009 0.000 1.230 647 K HN 1.008 nan 8.250 nan 0.000 0.485 648 G N -0.364 108.448 108.800 0.021 0.000 2.194 648 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.236 648 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.236 648 G C 0.566 175.482 174.900 0.027 0.000 0.987 648 G CA 0.278 45.388 45.100 0.016 0.000 0.635 648 G HN 0.331 nan 8.290 nan 0.000 0.520 649 E N 0.091 120.312 120.200 0.034 0.000 2.265 649 E HA 0.027 4.377 4.350 -0.001 0.000 0.196 649 E C 2.338 178.980 176.600 0.071 0.000 0.996 649 E CA 0.830 57.255 56.400 0.042 0.000 0.832 649 E CB -0.050 29.669 29.700 0.032 0.000 0.756 649 E HN 0.716 nan 8.360 nan 0.000 0.491 650 I N 0.748 121.375 120.570 0.094 0.000 2.623 650 I HA -0.264 3.905 4.170 -0.001 0.000 0.261 650 I C 1.975 178.220 176.117 0.212 0.000 1.204 650 I CA 0.494 61.896 61.300 0.170 0.000 1.444 650 I CB 0.047 38.171 38.000 0.206 0.000 1.094 650 I HN -0.004 nan 8.210 nan 0.000 0.451 651 I N 0.605 121.250 120.570 0.124 0.000 2.756 651 I HA -0.232 3.937 4.170 -0.001 0.000 0.262 651 I C 2.550 178.760 176.117 0.155 0.000 1.225 651 I CA 1.477 62.848 61.300 0.119 0.000 1.472 651 I CB -0.398 37.602 38.000 0.000 0.000 1.094 651 I HN 0.409 nan 8.210 nan 0.000 0.454 652 S N 0.860 116.622 115.700 0.103 0.000 2.374 652 S HA -0.269 4.201 4.470 -0.001 0.000 0.227 652 S C 2.313 176.929 174.600 0.027 0.000 1.037 652 S CA 1.180 59.415 58.200 0.059 0.000 1.024 652 S CB -1.202 62.026 63.200 0.047 0.000 0.861 652 S HN 0.476 nan 8.310 nan 0.000 0.456 653 A N 1.114 123.926 122.820 -0.012 0.000 1.908 653 A HA 0.066 4.386 4.320 -0.001 0.000 0.218 653 A C 1.955 179.347 177.584 -0.319 0.000 1.181 653 A CA 1.606 53.535 52.037 -0.180 0.000 0.627 653 A CB -1.059 17.761 19.000 -0.300 0.000 0.818 653 A HN 0.610 nan 8.150 nan 0.000 0.445 654 F N -0.310 119.466 119.950 -0.291 0.000 2.187 654 F HA -0.019 4.508 4.527 -0.001 0.000 0.295 654 F C 2.407 178.050 175.800 -0.261 0.000 1.091 654 F CA 1.277 58.945 58.000 -0.553 0.000 1.308 654 F CB -0.453 37.970 39.000 -0.961 0.000 1.030 654 F HN 0.220 nan 8.300 nan 0.000 0.487 655 E N 0.369 120.591 120.200 0.036 0.000 2.085 655 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 655 E C 1.143 177.787 176.600 0.073 0.000 0.994 655 E CA 1.316 57.749 56.400 0.054 0.000 0.801 655 E CB -0.227 29.499 29.700 0.044 0.000 0.743 655 E HN 0.352 nan 8.360 nan 0.000 0.453 656 N N -0.129 118.606 118.700 0.058 0.000 2.322 656 N HA -0.010 4.729 4.740 -0.001 0.000 0.194 656 N C -0.567 174.983 175.510 0.067 0.000 1.126 656 N CA 0.144 53.221 53.050 0.046 0.000 0.845 656 N CB 0.073 38.573 38.487 0.022 0.000 0.976 656 N HN 0.025 nan 8.380 nan 0.000 0.475 657 F N 2.559 122.494 119.950 -0.025 0.000 2.377 657 F HA 0.287 4.814 4.527 -0.001 0.000 0.360 657 F C 0.710 176.538 175.800 0.047 0.000 1.147 657 F CA -0.945 57.050 58.000 -0.007 0.000 1.170 657 F CB -0.064 38.944 39.000 0.013 0.000 1.339 657 F HN -0.154 nan 8.300 nan 0.000 0.552 658 K N 3.890 124.109 120.400 -0.302 0.000 2.453 658 K HA 0.423 4.743 4.320 -0.001 0.000 0.280 658 K C 1.039 177.527 176.600 -0.187 0.000 1.045 658 K CA 0.283 56.455 56.287 -0.192 0.000 1.059 658 K CB -0.460 31.906 32.500 -0.223 0.000 0.901 658 K HN 1.629 nan 8.250 nan 0.000 0.475 659 G N 0.859 109.696 108.800 0.062 0.000 2.141 659 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.231 659 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.231 659 G C 0.042 175.132 174.900 0.317 0.000 0.984 659 G CA -0.009 45.171 45.100 0.133 0.000 0.660 659 G HN 1.090 nan 8.290 nan 0.000 0.525 660 W N 1.565 123.039 121.300 0.289 0.000 2.368 660 W HA 0.494 5.153 4.660 -0.001 0.000 0.316 660 W C 0.934 177.548 176.519 0.158 0.000 1.375 660 W CA 0.500 58.007 57.345 0.271 0.000 1.261 660 W CB 0.084 29.706 29.460 0.270 0.000 1.298 660 W HN 0.462 nan 8.180 nan 0.000 0.539 661 I N 1.909 122.229 120.570 -0.417 0.000 4.442 661 I HA 0.241 4.410 4.170 -0.001 0.000 0.331 661 I C 0.219 176.084 176.117 -0.419 0.000 1.364 661 I CA -0.421 60.759 61.300 -0.199 0.000 1.207 661 I CB 0.134 38.114 38.000 -0.034 0.000 1.298 661 I HN 0.012 nan 8.210 nan 0.000 0.463 662 K N 2.316 122.098 120.400 -1.031 0.000 2.098 662 K HA 0.421 4.741 4.320 -0.001 0.000 0.257 662 K C -0.350 176.270 176.600 0.033 0.000 0.999 662 K CA -0.487 55.309 56.287 -0.819 0.000 0.924 662 K CB 1.047 32.928 32.500 -1.031 0.000 1.028 662 K HN 0.189 nan 8.250 nan 0.000 0.466 663 Q N 1.120 121.013 119.800 0.156 0.000 2.394 663 Q HA 0.281 4.621 4.340 -0.001 0.000 0.248 663 Q C -0.390 175.713 176.000 0.173 0.000 0.992 663 Q CA 0.255 56.220 55.803 0.271 0.000 0.888 663 Q CB 0.694 29.642 28.738 0.351 0.000 1.257 663 Q HN 0.382 nan 8.270 nan 0.000 0.462 664 I N 0.642 121.294 120.570 0.137 0.000 2.478 664 I HA 0.319 4.489 4.170 -0.001 0.000 0.287 664 I C 0.062 176.155 176.117 -0.041 0.000 1.042 664 I CA -0.814 60.440 61.300 -0.077 0.000 1.067 664 I CB 2.021 39.881 38.000 -0.234 0.000 1.233 664 I HN 0.644 nan 8.210 nan 0.000 0.431 665 G N 6.102 114.802 108.800 -0.166 0.000 2.448 665 G HA2 0.419 4.378 3.960 -0.001 0.000 0.309 665 G HA3 0.419 4.378 3.960 -0.001 0.000 0.309 665 G C -0.213 174.670 174.900 -0.028 0.000 1.027 665 G CA -0.225 44.848 45.100 -0.045 0.000 1.104 665 G HN 0.367 nan 8.290 nan 0.000 0.428 666 V N 3.056 122.996 119.914 0.044 0.000 2.405 666 V HA 0.369 4.488 4.120 -0.001 0.000 0.264 666 V C 1.265 177.383 176.094 0.039 0.000 1.048 666 V CA -0.421 61.882 62.300 0.005 0.000 0.966 666 V CB 0.853 32.685 31.823 0.014 0.000 1.015 666 V HN 0.718 nan 8.190 nan 0.000 0.477 667 G N 3.561 112.375 108.800 0.023 0.000 2.356 667 G HA2 0.370 4.330 3.960 -0.001 0.000 0.273 667 G HA3 0.370 4.330 3.960 -0.001 0.000 0.273 667 G C 0.581 175.520 174.900 0.064 0.000 1.213 667 G CA 0.132 45.258 45.100 0.043 0.000 0.955 667 G HN 1.048 nan 8.290 nan 0.000 0.454 668 V N 0.346 120.328 119.914 0.113 0.000 3.319 668 V HA 0.464 4.584 4.120 -0.001 0.000 0.317 668 V C -0.398 175.828 176.094 0.221 0.000 1.411 668 V CA -0.780 61.594 62.300 0.123 0.000 1.112 668 V CB -0.637 31.241 31.823 0.092 0.000 1.031 668 V HN 0.651 nan 8.190 nan 0.000 0.448 669 W N 1.447 122.738 121.300 -0.015 0.000 3.326 669 W HA 0.561 5.220 4.660 -0.001 0.000 0.333 669 W C -1.573 174.924 176.519 -0.036 0.000 1.108 669 W CA -1.666 55.666 57.345 -0.022 0.000 1.245 669 W CB 1.451 30.899 29.460 -0.019 0.000 1.331 669 W HN 0.121 nan 8.180 nan 0.000 0.464 670 D N 5.444 125.998 120.400 0.258 0.000 2.359 670 D HA 0.064 4.704 4.640 -0.001 0.000 0.250 670 D C 1.252 177.480 176.300 -0.121 0.000 1.264 670 D CA -0.024 53.992 54.000 0.027 0.000 0.911 670 D CB 0.378 41.238 40.800 0.101 0.000 1.056 670 D HN 0.405 nan 8.370 nan 0.000 0.499 671 I N 0.996 121.266 120.570 -0.501 0.000 3.444 671 I HA 0.010 4.179 4.170 -0.001 0.000 0.287 671 I C 1.103 177.001 176.117 -0.365 0.000 1.302 671 I CA 0.675 61.608 61.300 -0.610 0.000 1.368 671 I CB -0.402 37.090 38.000 -0.846 0.000 1.048 671 I HN 0.296 nan 8.210 nan 0.000 0.487 672 H N 0.088 119.100 119.070 -0.098 0.000 2.539 672 H HA 0.352 4.908 4.556 -0.001 0.000 0.267 672 H C 0.616 175.935 175.328 -0.015 0.000 0.982 672 H CA 0.282 56.294 56.048 -0.060 0.000 1.146 672 H CB 0.273 29.997 29.762 -0.064 0.000 1.382 672 H HN 0.440 nan 8.280 nan 0.000 0.577 673 S N 0.660 116.425 115.700 0.109 0.000 2.532 673 S HA 0.295 4.765 4.470 -0.001 0.000 0.301 673 S C -1.837 172.843 174.600 0.133 0.000 1.083 673 S CA -1.655 56.611 58.200 0.110 0.000 1.025 673 S CB 1.911 65.177 63.200 0.110 0.000 1.056 673 S HN -0.107 nan 8.310 nan 0.000 0.494 674 P HA 0.183 nan 4.420 nan 0.000 0.225 674 P C 0.060 177.414 177.300 0.090 0.000 1.156 674 P CA 0.292 63.448 63.100 0.093 0.000 0.787 674 P CB -0.130 31.603 31.700 0.054 0.000 0.802 675 A N 0.256 123.123 122.820 0.078 0.000 2.531 675 A HA 0.157 4.477 4.320 -0.001 0.000 0.236 675 A C 0.164 177.749 177.584 0.002 0.000 1.062 675 A CA 0.145 52.204 52.037 0.037 0.000 0.760 675 A CB -0.161 18.858 19.000 0.032 0.000 0.995 675 A HN -0.019 nan 8.150 nan 0.000 0.501 676 V N 5.638 125.510 119.914 -0.071 0.000 2.353 676 V HA 0.235 4.354 4.120 -0.001 0.000 0.264 676 V C -1.994 173.988 176.094 -0.187 0.000 1.049 676 V CA -1.140 61.044 62.300 -0.194 0.000 0.896 676 V CB 0.598 32.321 31.823 -0.167 0.000 1.025 676 V HN 0.800 nan 8.190 nan 0.000 0.475 677 P HA 0.151 nan 4.420 nan 0.000 0.268 677 P C 0.119 177.331 177.300 -0.147 0.000 1.205 677 P CA 0.062 63.071 63.100 -0.153 0.000 0.771 677 P CB 0.469 32.086 31.700 -0.140 0.000 0.858 678 S N 1.954 117.600 115.700 -0.091 0.000 2.600 678 S HA 0.193 4.662 4.470 -0.001 0.000 0.265 678 S C 1.349 175.905 174.600 -0.074 0.000 1.325 678 S CA -0.506 57.646 58.200 -0.079 0.000 1.002 678 S CB 0.119 63.287 63.200 -0.055 0.000 0.921 678 S HN 0.320 nan 8.310 nan 0.000 0.554 679 I N 1.177 121.707 120.570 -0.068 0.000 2.264 679 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 679 I C 2.660 178.747 176.117 -0.050 0.000 1.111 679 I CA 1.604 62.868 61.300 -0.060 0.000 1.382 679 I CB -0.591 37.377 38.000 -0.053 0.000 1.060 679 I HN 0.739 nan 8.210 nan 0.000 0.418 680 N N 0.966 119.640 118.700 -0.043 0.000 2.244 680 N HA -0.182 4.557 4.740 -0.001 0.000 0.183 680 N C 1.705 177.196 175.510 -0.031 0.000 1.016 680 N CA 1.381 54.410 53.050 -0.036 0.000 0.866 680 N CB 0.005 38.474 38.487 -0.030 0.000 0.980 680 N HN 0.332 nan 8.380 nan 0.000 0.430 681 E N -0.534 119.648 120.200 -0.031 0.000 2.110 681 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 681 E C 1.950 178.543 176.600 -0.012 0.000 0.988 681 E CA 1.126 57.514 56.400 -0.020 0.000 0.804 681 E CB -0.039 29.649 29.700 -0.020 0.000 0.745 681 E HN 0.477 nan 8.360 nan 0.000 0.458 682 M N -0.202 119.386 119.600 -0.021 0.000 2.123 682 M HA -0.105 4.375 4.480 -0.001 0.000 0.263 682 M C 2.451 178.734 176.300 -0.028 0.000 1.069 682 M CA 1.148 56.441 55.300 -0.011 0.000 1.133 682 M CB -0.191 32.397 32.600 -0.019 0.000 1.356 682 M HN -0.043 nan 8.290 nan 0.000 0.415 683 R N 1.007 121.481 120.500 -0.044 0.000 2.103 683 R HA -0.190 4.150 4.340 -0.001 0.000 0.242 683 R C 1.855 178.127 176.300 -0.047 0.000 1.142 683 R CA 1.933 57.997 56.100 -0.059 0.000 0.960 683 R CB -0.173 30.093 30.300 -0.056 0.000 0.858 683 R HN 0.425 nan 8.270 nan 0.000 0.439 684 E N -0.029 120.152 120.200 -0.030 0.000 2.114 684 E HA -0.252 4.097 4.350 -0.001 0.000 0.199 684 E C 2.003 178.592 176.600 -0.018 0.000 1.008 684 E CA 1.837 58.225 56.400 -0.021 0.000 0.810 684 E CB -0.215 29.477 29.700 -0.013 0.000 0.739 684 E HN 0.465 nan 8.360 nan 0.000 0.456 685 I N 0.306 120.866 120.570 -0.015 0.000 2.233 685 I HA -0.215 3.955 4.170 -0.001 0.000 0.243 685 I C 2.373 178.476 176.117 -0.024 0.000 1.093 685 I CA 0.638 61.932 61.300 -0.009 0.000 1.380 685 I CB -0.169 37.834 38.000 0.006 0.000 1.067 685 I HN -0.047 nan 8.210 nan 0.000 0.413 686 V N 0.542 120.428 119.914 -0.046 0.000 2.343 686 V HA -0.291 3.829 4.120 -0.001 0.000 0.247 686 V C 2.437 178.488 176.094 -0.071 0.000 1.051 686 V CA 1.930 64.182 62.300 -0.080 0.000 1.036 686 V CB -0.610 31.117 31.823 -0.161 0.000 0.654 686 V HN 0.436 nan 8.190 nan 0.000 0.451 687 E N -0.110 120.053 120.200 -0.062 0.000 2.106 687 E HA -0.262 4.087 4.350 -0.001 0.000 0.192 687 E C 2.367 178.959 176.600 -0.013 0.000 0.984 687 E CA 1.058 57.435 56.400 -0.039 0.000 0.806 687 E CB 0.006 29.686 29.700 -0.034 0.000 0.750 687 E HN 0.394 nan 8.360 nan 0.000 0.458 688 R N 0.563 121.056 120.500 -0.012 0.000 2.075 688 R HA -0.126 4.213 4.340 -0.001 0.000 0.232 688 R C 2.270 178.572 176.300 0.004 0.000 1.126 688 R CA 1.824 57.923 56.100 -0.000 0.000 0.963 688 R CB -0.866 29.435 30.300 0.001 0.000 0.858 688 R HN 0.212 nan 8.270 nan 0.000 0.435 689 V N -1.085 118.828 119.914 -0.003 0.000 2.759 689 V HA -0.004 4.115 4.120 -0.001 0.000 0.256 689 V C 1.853 177.961 176.094 0.023 0.000 1.080 689 V CA 1.533 63.831 62.300 -0.003 0.000 1.101 689 V CB -0.576 31.233 31.823 -0.024 0.000 0.698 689 V HN 0.246 nan 8.190 nan 0.000 0.477 690 L N 0.008 121.251 121.223 0.034 0.000 2.599 690 L HA 0.172 4.511 4.340 -0.001 0.000 0.230 690 L C 2.664 179.567 176.870 0.055 0.000 1.141 690 L CA 0.649 55.529 54.840 0.065 0.000 0.877 690 L CB -0.542 41.564 42.059 0.078 0.000 1.009 690 L HN 0.341 nan 8.230 nan 0.000 0.447 691 R N -0.090 120.433 120.500 0.038 0.000 2.091 691 R HA -0.146 4.194 4.340 -0.001 0.000 0.238 691 R C 1.635 177.961 176.300 0.043 0.000 1.136 691 R CA 1.774 57.895 56.100 0.035 0.000 0.959 691 R CB 0.175 30.491 30.300 0.026 0.000 0.856 691 R HN 0.238 nan 8.270 nan 0.000 0.437 692 V N 0.018 119.961 119.914 0.049 0.000 3.137 692 V HA 0.145 4.264 4.120 -0.001 0.000 0.236 692 V C 0.760 176.899 176.094 0.076 0.000 1.260 692 V CA -0.065 62.269 62.300 0.057 0.000 1.244 692 V CB 0.256 32.111 31.823 0.054 0.000 1.016 692 V HN 0.094 nan 8.190 nan 0.000 0.477 693 L N 2.386 123.658 121.223 0.081 0.000 2.456 693 L HA 0.234 4.573 4.340 -0.001 0.000 0.272 693 L C -2.165 174.775 176.870 0.117 0.000 1.189 693 L CA -1.374 53.532 54.840 0.111 0.000 0.846 693 L CB -0.168 41.952 42.059 0.100 0.000 1.111 693 L HN 0.134 nan 8.230 nan 0.000 0.475 694 P HA 0.009 nan 4.420 nan 0.000 0.268 694 P C 0.031 177.399 177.300 0.114 0.000 1.205 694 P CA -0.282 62.883 63.100 0.108 0.000 0.771 694 P CB 0.457 32.222 31.700 0.108 0.000 0.858 695 K N 1.990 122.442 120.400 0.086 0.000 2.209 695 K HA -0.176 4.143 4.320 -0.001 0.000 0.204 695 K C 0.887 177.451 176.600 -0.060 0.000 1.048 695 K CA 1.497 57.830 56.287 0.076 0.000 0.940 695 K CB -0.310 32.197 32.500 0.012 0.000 0.729 695 K HN 0.203 nan 8.250 nan 0.000 0.451 696 E N 1.249 121.419 120.200 -0.050 0.000 2.333 696 E HA -0.058 4.292 4.350 -0.001 0.000 0.198 696 E C 1.640 178.270 176.600 0.051 0.000 1.007 696 E CA 0.799 57.163 56.400 -0.059 0.000 0.845 696 E CB -0.119 29.572 29.700 -0.015 0.000 0.766 696 E HN 0.356 nan 8.360 nan 0.000 0.507 697 L N 0.149 121.454 121.223 0.137 0.000 2.446 697 L HA 0.076 4.416 4.340 -0.001 0.000 0.219 697 L C 0.227 177.280 176.870 0.305 0.000 1.116 697 L CA -0.140 54.844 54.840 0.240 0.000 0.844 697 L CB 0.076 42.293 42.059 0.263 0.000 0.970 697 L HN 0.087 nan 8.230 nan 0.000 0.457 698 I N -0.229 120.501 120.570 0.267 0.000 2.325 698 I HA 0.109 4.278 4.170 -0.001 0.000 0.291 698 I C -0.325 176.030 176.117 0.396 0.000 1.019 698 I CA -0.430 61.076 61.300 0.343 0.000 1.302 698 I CB 0.384 38.622 38.000 0.397 0.000 1.401 698 I HN -0.009 nan 8.210 nan 0.000 0.485 699 W N 6.605 127.983 121.300 0.131 0.000 2.576 699 W HA 0.624 5.283 4.660 -0.001 0.000 0.360 699 W C -0.090 176.493 176.519 0.106 0.000 1.109 699 W CA -0.470 56.954 57.345 0.132 0.000 1.237 699 W CB 0.815 30.331 29.460 0.093 0.000 1.369 699 W HN 0.176 nan 8.180 nan 0.000 0.609 700 I N 3.671 124.444 120.570 0.338 0.000 2.436 700 I HA 0.356 4.525 4.170 -0.001 0.000 0.289 700 I C -0.325 175.927 176.117 0.226 0.000 1.010 700 I CA -0.732 60.693 61.300 0.209 0.000 1.098 700 I CB 0.974 39.047 38.000 0.122 0.000 1.266 700 I HN 0.491 nan 8.210 nan 0.000 0.434 701 N N 5.252 124.059 118.700 0.178 0.000 3.020 701 N HA 0.534 5.273 4.740 -0.001 0.000 0.248 701 N C -3.304 172.287 175.510 0.136 0.000 1.480 701 N CA -1.644 51.502 53.050 0.159 0.000 0.874 701 N CB 1.680 40.239 38.487 0.121 0.000 1.433 701 N HN 0.035 nan 8.380 nan 0.000 0.530 702 P HA 0.201 nan 4.420 nan 0.000 0.274 702 P C 0.166 177.381 177.300 -0.141 0.000 1.256 702 P CA -0.095 62.969 63.100 -0.061 0.000 0.795 702 P CB 0.616 32.053 31.700 -0.438 0.000 1.038 703 D N -1.016 119.254 120.400 -0.215 0.000 2.117 703 D HA -0.069 4.570 4.640 -0.001 0.000 0.197 703 D C 0.754 176.962 176.300 -0.153 0.000 0.987 703 D CA 1.362 55.281 54.000 -0.134 0.000 0.829 703 D CB -0.073 40.635 40.800 -0.153 0.000 0.961 703 D HN 0.254 nan 8.370 nan 0.000 0.460 704 C N -2.228 116.860 119.300 -0.354 0.000 3.276 704 C HA 0.653 5.112 4.460 -0.001 0.000 0.370 704 C C 0.175 174.875 174.990 -0.483 0.000 1.624 704 C CA -0.411 58.361 59.018 -0.410 0.000 1.179 704 C CB 1.078 28.647 27.740 -0.285 0.000 1.909 704 C HN 0.317 nan 8.230 nan 0.000 0.434 705 G N 0.680 109.215 108.800 -0.441 0.000 2.664 705 G HA2 0.398 4.358 3.960 -0.001 0.000 0.242 705 G HA3 0.398 4.358 3.960 -0.001 0.000 0.242 705 G C 0.084 174.744 174.900 -0.400 0.000 1.225 705 G CA -0.218 44.634 45.100 -0.413 0.000 0.849 705 G HN 0.806 nan 8.290 nan 0.000 0.581 706 L N 0.548 121.555 121.223 -0.361 0.000 2.857 706 L HA 0.168 4.508 4.340 -0.001 0.000 0.249 706 L C 2.431 179.164 176.870 -0.229 0.000 1.172 706 L CA -0.061 54.601 54.840 -0.297 0.000 0.980 706 L CB 0.138 42.080 42.059 -0.196 0.000 1.299 706 L HN 0.795 nan 8.230 nan 0.000 0.535 707 K N -0.044 120.228 120.400 -0.213 0.000 2.280 707 K HA -0.122 4.198 4.320 -0.001 0.000 0.202 707 K C 1.592 178.132 176.600 -0.100 0.000 1.047 707 K CA 1.802 58.001 56.287 -0.147 0.000 0.942 707 K CB -0.415 32.006 32.500 -0.132 0.000 0.739 707 K HN 0.289 nan 8.250 nan 0.000 0.457 708 T N -1.931 112.563 114.554 -0.099 0.000 3.081 708 T HA 0.179 4.528 4.350 -0.001 0.000 0.250 708 T C 0.844 175.516 174.700 -0.048 0.000 1.100 708 T CA -0.546 61.525 62.100 -0.047 0.000 1.038 708 T CB 0.109 68.971 68.868 -0.010 0.000 0.962 708 T HN -0.004 nan 8.240 nan 0.000 0.516 709 R N 1.463 121.910 120.500 -0.088 0.000 2.607 709 R HA 0.544 4.883 4.340 -0.001 0.000 0.261 709 R C -0.704 175.546 176.300 -0.083 0.000 1.051 709 R CA -0.584 55.483 56.100 -0.055 0.000 1.110 709 R CB 0.565 30.843 30.300 -0.035 0.000 1.158 709 R HN 0.263 nan 8.270 nan 0.000 0.543 710 N N -0.750 117.936 118.700 -0.024 0.000 2.456 710 N HA 0.151 4.891 4.740 -0.001 0.000 0.296 710 N C 0.438 175.962 175.510 0.023 0.000 1.102 710 N CA -0.389 52.651 53.050 -0.017 0.000 0.924 710 N CB 0.839 39.359 38.487 0.055 0.000 1.186 710 N HN 0.502 nan 8.380 nan 0.000 0.492 711 W N 0.360 121.699 121.300 0.066 0.000 2.325 711 W HA -0.224 4.436 4.660 -0.001 0.000 0.299 711 W C 2.204 178.740 176.519 0.030 0.000 1.215 711 W CA 1.608 58.978 57.345 0.042 0.000 1.244 711 W CB -0.565 28.898 29.460 0.006 0.000 1.140 711 W HN 0.778 nan 8.180 nan 0.000 0.523 712 D N 0.682 121.229 120.400 0.246 0.000 2.218 712 D HA -0.192 4.447 4.640 -0.001 0.000 0.204 712 D C 1.587 177.946 176.300 0.099 0.000 0.976 712 D CA 1.669 55.754 54.000 0.141 0.000 0.853 712 D CB -0.649 40.209 40.800 0.097 0.000 0.939 712 D HN 0.590 nan 8.370 nan 0.000 0.481 713 E N -0.768 119.497 120.200 0.108 0.000 2.389 713 E HA 0.114 4.463 4.350 -0.001 0.000 0.199 713 E C 2.026 178.673 176.600 0.078 0.000 0.978 713 E CA 0.355 56.797 56.400 0.071 0.000 0.912 713 E CB 0.369 30.123 29.700 0.089 0.000 0.907 713 E HN 0.378 nan 8.360 nan 0.000 0.494 714 V N 1.977 122.001 119.914 0.184 0.000 2.323 714 V HA -0.196 3.923 4.120 -0.001 0.000 0.244 714 V C 2.386 178.581 176.094 0.168 0.000 1.041 714 V CA 1.415 63.891 62.300 0.294 0.000 1.025 714 V CB -0.338 31.656 31.823 0.285 0.000 0.656 714 V HN 0.235 nan 8.190 nan 0.000 0.451 715 I N 0.196 120.876 120.570 0.183 0.000 2.163 715 I HA -0.166 4.003 4.170 -0.001 0.000 0.243 715 I C -0.211 175.909 176.117 0.005 0.000 1.085 715 I CA 1.701 63.072 61.300 0.117 0.000 1.347 715 I CB -1.508 36.558 38.000 0.110 0.000 1.044 715 I HN 0.371 nan 8.210 nan 0.000 0.408 716 P HA -0.081 nan 4.420 nan 0.000 0.217 716 P C 1.750 178.930 177.300 -0.199 0.000 1.150 716 P CA 1.371 64.413 63.100 -0.097 0.000 0.832 716 P CB 0.038 31.683 31.700 -0.092 0.000 0.787 717 S N -0.487 114.998 115.700 -0.358 0.000 2.368 717 S HA -0.089 4.381 4.470 -0.001 0.000 0.225 717 S C 1.862 176.176 174.600 -0.477 0.000 1.030 717 S CA 1.068 58.836 58.200 -0.720 0.000 0.999 717 S CB -1.155 61.002 63.200 -1.739 0.000 0.844 717 S HN 0.110 nan 8.310 nan 0.000 0.459 718 L N 0.964 122.055 121.223 -0.219 0.000 2.046 718 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 718 L C 2.734 179.600 176.870 -0.006 0.000 1.077 718 L CA 1.232 56.083 54.840 0.018 0.000 0.747 718 L CB -0.458 41.695 42.059 0.156 0.000 0.896 718 L HN 0.236 nan 8.230 nan 0.000 0.432 719 R N -0.173 120.304 120.500 -0.039 0.000 2.096 719 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 719 R C 2.056 178.327 176.300 -0.048 0.000 1.127 719 R CA 1.338 57.419 56.100 -0.031 0.000 0.968 719 R CB -0.399 29.880 30.300 -0.036 0.000 0.861 719 R HN 0.387 nan 8.270 nan 0.000 0.440 720 N N 0.642 119.287 118.700 -0.091 0.000 2.188 720 N HA -0.128 4.612 4.740 -0.001 0.000 0.184 720 N C 1.654 177.126 175.510 -0.064 0.000 1.018 720 N CA 1.150 54.145 53.050 -0.093 0.000 0.858 720 N CB -0.091 38.310 38.487 -0.144 0.000 0.989 720 N HN 0.181 nan 8.380 nan 0.000 0.426 721 M N -0.057 119.513 119.600 -0.049 0.000 2.086 721 M HA -0.128 4.352 4.480 -0.001 0.000 0.261 721 M C 1.753 178.066 176.300 0.020 0.000 1.067 721 M CA 1.159 56.464 55.300 0.009 0.000 1.116 721 M CB 0.019 32.666 32.600 0.078 0.000 1.348 721 M HN -0.086 nan 8.290 nan 0.000 0.407 722 V N 0.280 120.210 119.914 0.026 0.000 2.295 722 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 722 V C 2.544 178.644 176.094 0.010 0.000 1.049 722 V CA 1.994 64.311 62.300 0.028 0.000 1.024 722 V CB -1.326 30.515 31.823 0.031 0.000 0.648 722 V HN 0.607 nan 8.190 nan 0.000 0.447 723 A N -0.151 122.665 122.820 -0.006 0.000 1.908 723 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 723 A C 2.183 179.756 177.584 -0.019 0.000 1.181 723 A CA 2.298 54.326 52.037 -0.014 0.000 0.627 723 A CB -0.630 18.355 19.000 -0.025 0.000 0.818 723 A HN 0.482 nan 8.150 nan 0.000 0.445 724 L N -0.311 120.895 121.223 -0.029 0.000 2.046 724 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 724 L C 2.651 179.487 176.870 -0.056 0.000 1.077 724 L CA 2.266 57.077 54.840 -0.049 0.000 0.747 724 L CB -0.807 41.217 42.059 -0.058 0.000 0.896 724 L HN 0.337 nan 8.230 nan 0.000 0.432 725 A N -0.150 122.655 122.820 -0.026 0.000 1.883 725 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 725 A C 2.588 180.203 177.584 0.052 0.000 1.186 725 A CA 2.871 54.913 52.037 0.009 0.000 0.624 725 A CB -1.123 17.913 19.000 0.060 0.000 0.822 725 A HN 0.481 nan 8.150 nan 0.000 0.444 726 K N 0.170 120.590 120.400 0.033 0.000 2.032 726 K HA -0.214 4.105 4.320 -0.001 0.000 0.209 726 K C 1.801 178.421 176.600 0.033 0.000 1.048 726 K CA 1.946 58.254 56.287 0.035 0.000 0.927 726 K CB -1.029 31.481 32.500 0.017 0.000 0.712 726 K HN 0.778 nan 8.250 nan 0.000 0.441 727 E N -0.159 120.046 120.200 0.007 0.000 2.058 727 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 727 E C 2.351 178.958 176.600 0.012 0.000 0.997 727 E CA 1.424 57.824 56.400 0.000 0.000 0.801 727 E CB -0.222 29.464 29.700 -0.023 0.000 0.746 727 E HN 0.397 nan 8.360 nan 0.000 0.450 728 M N 0.482 120.070 119.600 -0.021 0.000 2.149 728 M HA -0.142 4.338 4.480 -0.001 0.000 0.261 728 M C 2.149 178.586 176.300 0.229 0.000 1.064 728 M CA 1.504 56.776 55.300 -0.045 0.000 1.102 728 M CB -0.840 31.488 32.600 -0.454 0.000 1.369 728 M HN 0.055 nan 8.290 nan 0.000 0.408 729 R N 0.387 121.054 120.500 0.278 0.000 2.073 729 R HA -0.046 4.294 4.340 -0.001 0.000 0.234 729 R C 1.544 177.920 176.300 0.127 0.000 1.134 729 R CA 1.305 57.552 56.100 0.246 0.000 0.952 729 R CB -0.844 29.546 30.300 0.150 0.000 0.850 729 R HN 0.545 nan 8.270 nan 0.000 0.433 730 E N 0.000 120.250 120.200 0.084 0.000 2.725 730 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 730 E CA 0.000 56.430 56.400 0.051 0.000 0.976 730 E CB 0.000 29.719 29.700 0.032 0.000 0.812 730 E HN 0.000 nan 8.360 nan 0.000 0.440